#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnq s GLU 3 N 0.00 1.15 -0.15 3.69 2.02 -1.26 -4.99 118.70 119.16 2bnq s GLU 3 Ca 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 54.97 54.78 2bnq s GLU 3 Cb 0.00 -1.12 -0.02 0.00 0.10 0.00 0.00 34.13 33.09 2bnq s GLU 3 CO 0.00 -0.10 -0.09 0.08 0.02 0.00 0.00 175.26 175.17 2bnq s VAL 4 N 1.08 3.36 0.01 2.63 1.01 -1.26 -1.96 120.40 125.28 2bnq s VAL 4 Ca -0.08 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2bnq s VAL 4 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 2bnq s VAL 4 CO -0.01 0.50 -0.16 0.42 0.00 0.00 0.00 175.10 175.86 2bnq s THR 5 N 0.50 1.23 -0.24 3.92 -4.23 0.59 -4.39 115.64 113.02 2bnq s THR 5 Ca -0.07 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 2bnq s THR 5 Cb -0.15 -1.06 0.06 0.00 1.34 0.00 0.00 72.50 72.69 2bnq s THR 5 CO 0.04 0.22 -0.05 -1.10 -0.54 0.00 0.00 174.62 173.18 2bnq s GLN 6 N -0.70 1.63 -0.04 3.99 -0.21 -1.26 -0.76 119.66 122.31 2bnq s GLN 6 Ca 0.05 -1.01 0.02 0.00 0.02 0.00 0.00 55.36 54.43 2bnq s GLN 6 Cb -0.07 -2.60 0.02 0.00 1.00 0.00 0.00 33.01 31.36 2bnq s GLN 6 CO 0.00 -0.60 -0.06 0.42 -2.12 0.00 0.00 175.29 172.93 2bnq s ILE 7 N 1.38 0.61 0.66 1.08 -1.09 -1.26 -3.54 121.20 119.05 2bnq s ILE 7 Ca -0.06 -0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 2bnq s ILE 7 Cb -0.19 -0.59 0.00 0.00 -1.58 0.00 0.00 42.46 40.10 2bnq s ILE 7 CO -0.06 0.22 1.21 -2.84 -1.23 0.00 0.00 174.94 172.24 2bnq s PRO 8 N 0.63 2.57 0.00 2.79 0.02 -1.26 -4.50 135.00 135.25 2bnq s PRO 8 Ca -0.09 1.79 0.27 0.00 0.02 0.00 0.00 61.00 62.99 2bnq s PRO 8 Cb -0.12 -1.88 0.90 0.00 0.02 0.00 0.00 34.50 33.41 2bnq s PRO 8 CO 0.01 -1.51 1.68 0.00 -0.33 0.00 0.00 177.00 176.84 2bnq n ALA 9 N -2.17 2.96 -3.08 -1.55 0.00 -1.23 -4.71 120.51 110.73 2bnq n ALA 9 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.21 2bnq n ALA 9 Cb 0.50 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.55 2bnq n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bnq s ALA 10 N -2.90 -0.45 -0.05 0.00 0.00 -1.26 -0.72 121.76 116.37 2bnq s ALA 10 Ca 0.15 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.52 2bnq s ALA 10 Cb 0.18 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2bnq s ALA 10 CO 0.60 -0.11 0.12 -1.17 0.00 0.00 0.00 175.76 175.20 2bnq s LEU 11 N -0.12 1.21 -0.11 0.00 2.96 0.12 -4.91 118.68 117.83 2bnq s LEU 11 Ca -0.02 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 2bnq s LEU 11 Cb -0.02 0.34 0.01 0.00 0.50 0.00 0.00 46.19 47.02 2bnq s LEU 11 CO 0.01 -0.09 -0.19 -0.55 -1.32 0.00 0.00 176.35 174.20 2bnq s SER 12 N 0.56 2.74 -0.02 3.68 0.15 -1.26 -0.84 113.70 118.70 2bnq s SER 12 Ca -0.04 -0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.04 2bnq s SER 12 Cb -0.06 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 63.01 2bnq s SER 12 CO -0.02 0.08 0.15 0.54 1.20 0.00 0.00 173.24 175.18 2bnq s VAL 13 N 0.70 0.05 0.40 4.45 0.11 -0.14 -4.98 120.40 120.99 2bnq s VAL 13 Ca -0.12 -0.39 -0.24 0.00 -2.93 0.00 0.00 61.98 58.30 2bnq s VAL 13 Cb -0.16 -0.34 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 2bnq s VAL 13 CO 0.02 -0.22 1.05 -2.84 -3.33 0.00 0.00 175.10 169.79 2bnq s PRO 14 N -0.75 4.13 0.28 1.54 0.02 -1.26 -0.69 135.00 138.28 2bnq s PRO 14 Ca -0.08 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.16 2bnq s PRO 14 Cb -0.05 -2.52 -0.13 0.00 0.02 0.00 0.00 34.50 31.82 2bnq s PRO 14 CO 0.01 -0.17 1.29 -1.91 -0.33 0.00 0.00 177.00 175.89 2bnq n GLU 15 N -0.12 1.92 0.00 5.54 2.13 -0.31 -2.54 120.64 127.26 2bnq n GLU 15 Ca 0.05 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.55 2bnq n GLU 15 Cb 0.50 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 29.95 2bnq n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bnq n GLY 16 N 1.50 3.21 3.79 8.31 0.00 0.88 -4.90 105.19 117.98 2bnq n GLY 16 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2bnq n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnq s GLU 17 N -0.53 3.97 -0.09 1.61 2.02 -1.05 -4.11 118.70 120.52 2bnq s GLU 17 Ca 0.00 1.38 -0.25 0.00 0.02 0.00 0.00 54.97 56.12 2bnq s GLU 17 Cb 0.00 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 2bnq s GLU 17 CO 0.00 -0.29 0.78 -0.80 0.02 0.00 0.00 175.26 174.98 2bnq s ASN 18 N -1.86 7.03 0.33 -0.19 0.02 -1.26 -1.99 114.94 117.02 2bnq s ASN 18 Ca 0.63 1.25 0.09 0.00 -1.02 0.00 0.00 52.86 53.82 2bnq s ASN 18 Cb -0.17 -2.45 -0.05 0.00 0.02 0.00 0.00 41.25 38.59 2bnq s ASN 18 CO 0.22 -0.23 -0.03 -1.48 0.02 0.00 0.00 177.10 175.60 2bnq s LEU 19 N 1.25 2.91 -0.08 0.60 0.05 -0.28 -4.98 118.68 118.16 2bnq s LEU 19 Ca 0.40 -1.00 -0.00 0.00 0.05 0.00 0.00 54.13 53.57 2bnq s LEU 19 Cb -0.18 -1.29 0.03 0.00 -2.05 0.00 0.00 46.19 42.69 2bnq s LEU 19 CO 0.18 -0.18 -0.04 -0.69 -0.55 0.00 0.00 176.35 175.07 2bnq s VAL 20 N -2.52 0.64 -0.09 1.48 1.01 -1.26 -1.86 120.40 117.80 2bnq s VAL 20 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2bnq s VAL 20 Cb -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2bnq s VAL 20 CO 0.18 0.29 -0.04 -0.76 0.00 0.00 0.00 175.10 174.78 2bnq s LEU 21 N 1.64 3.32 0.04 3.92 1.43 0.32 -4.96 118.68 124.39 2bnq s LEU 21 Ca 0.01 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 2bnq s LEU 21 Cb -0.13 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2bnq s LEU 21 CO -0.05 0.32 0.01 0.20 0.23 0.00 0.00 176.35 177.07 2bnq s ASN 22 N -0.56 5.15 -0.01 2.29 -0.87 -1.26 -0.57 114.94 119.10 2bnq s ASN 22 Ca 0.09 -0.06 0.01 0.00 -1.57 0.00 0.00 52.86 51.33 2bnq s ASN 22 Cb -0.12 -1.31 0.00 0.00 -0.02 0.00 0.00 41.25 39.80 2bnq s ASN 22 CO 0.02 0.23 -0.04 0.00 -2.57 0.00 0.00 177.10 174.74 2bnq s SER 24 N 0.07 0.62 -0.00 0.00 0.01 0.06 -1.24 113.70 113.22 2bnq s SER 24 Ca -0.00 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.18 2bnq s SER 24 Cb -0.04 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 2bnq s SER 24 CO -0.00 0.06 -0.05 0.72 0.41 0.00 0.00 173.24 174.37 2bnq s PHE 25 N -0.07 0.48 -0.08 2.43 -0.12 -0.41 -0.30 117.98 119.92 2bnq s PHE 25 Ca 0.01 -0.09 0.17 0.00 -0.05 0.00 0.00 56.93 56.97 2bnq s PHE 25 Cb -0.03 -0.31 0.27 0.00 -0.63 0.00 0.00 43.02 42.32 2bnq s PHE 25 CO -0.00 -0.01 1.54 1.79 -0.05 0.00 0.00 175.22 178.49 2bnq h THR 26 N 5.01 0.81 -3.54 -4.49 1.35 -1.69 -3.42 112.91 106.94 2bnq h THR 26 Ca -0.28 -1.95 -0.67 0.00 -0.55 0.00 0.00 66.41 62.96 2bnq h THR 26 Cb 1.19 2.26 -0.29 0.00 -1.73 0.00 0.00 68.15 69.58 2bnq h THR 26 CO 0.50 0.43 -0.70 -0.62 -0.25 0.00 0.00 175.52 174.88 2bnq s ASP 27 N -6.42 4.62 0.09 5.36 -1.08 -1.26 -4.69 116.67 113.29 2bnq s ASP 27 Ca 0.03 -0.78 0.21 0.00 -0.52 0.00 0.00 52.55 51.49 2bnq s ASP 27 Cb 0.08 -1.75 0.87 0.00 -1.46 0.00 0.00 42.92 40.66 2bnq s ASP 27 CO 0.72 -0.14 1.67 -1.20 0.52 0.00 0.00 175.17 176.73 2bnq n SER 28 N 4.75 0.27 -3.96 -0.34 7.64 -1.26 -4.40 113.62 116.32 2bnq n SER 28 Ca -0.16 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 2bnq n SER 28 Cb 0.48 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2bnq n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bnq n ALA 29 N -1.61 4.89 -2.53 -0.43 0.00 -1.26 -4.91 120.51 114.66 2bnq n ALA 29 Ca 0.04 -3.84 -0.27 0.00 0.00 0.00 0.00 53.44 49.37 2bnq n ALA 29 Cb 0.26 -3.56 -0.10 0.00 0.00 0.00 0.00 19.45 16.04 2bnq n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bnq s ILE 30 N 3.64 2.94 -0.07 0.00 -4.36 -1.26 -2.02 121.20 120.07 2bnq s ILE 30 Ca 0.50 -1.76 0.04 0.00 -0.26 0.00 0.00 60.65 59.17 2bnq s ILE 30 Cb 0.11 -2.44 -0.25 0.00 1.25 0.00 0.00 42.46 41.13 2bnq s ILE 30 CO -0.03 -0.10 0.57 0.22 0.24 0.00 0.00 174.94 175.83 2bnq h TYR 31 N 3.02 0.23 -2.76 1.37 5.03 -0.37 -3.42 116.97 120.07 2bnq h TYR 31 Ca -0.47 -0.17 0.09 0.00 2.58 0.00 0.00 58.73 60.77 2bnq h TYR 31 Cb 1.20 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.43 2bnq h TYR 31 CO 0.66 1.34 0.36 0.54 -1.32 0.00 0.00 178.16 179.74 2bnq s ASN 32 N -6.54 -0.13 -0.02 -2.11 2.20 -1.25 -1.16 114.94 105.92 2bnq s ASN 32 Ca -0.12 -0.71 0.01 0.00 -0.94 0.00 0.00 52.86 51.10 2bnq s ASN 32 Cb 0.07 0.66 0.02 0.00 -2.00 0.00 0.00 41.25 40.01 2bnq s ASN 32 CO 0.81 -1.27 -0.01 -0.22 -2.94 0.00 0.00 177.10 173.47 2bnq s LEU 33 N -3.04 1.40 -0.03 3.54 0.20 -0.02 -2.75 118.68 117.98 2bnq s LEU 33 Ca 0.14 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.97 2bnq s LEU 33 Cb -0.04 -0.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.52 2bnq s LEU 33 CO 0.07 -0.06 -0.16 -1.58 -0.29 0.00 0.00 176.35 174.33 2bnq s GLN 34 N 0.72 1.45 -0.08 1.98 0.74 0.56 -0.67 119.66 124.35 2bnq s GLN 34 Ca -0.07 -0.56 -0.00 0.00 0.05 0.00 0.00 55.36 54.78 2bnq s GLN 34 Cb -0.10 -1.33 -0.03 0.00 1.10 0.00 0.00 33.01 32.65 2bnq s GLN 34 CO -0.01 0.28 -0.05 -1.58 -0.55 0.00 0.00 175.29 173.38 2bnq s TRP 35 N -0.15 3.01 0.21 1.67 0.52 -0.35 -0.86 118.94 122.99 2bnq s TRP 35 Ca 0.01 0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.18 2bnq s TRP 35 Cb -0.09 -1.77 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 2bnq s TRP 35 CO 0.01 0.32 0.01 -0.06 0.02 0.00 0.00 176.95 177.25 2bnq s PHE 36 N -0.67 1.39 0.05 -1.98 0.40 0.60 -0.71 117.98 117.06 2bnq s PHE 36 Ca 0.10 -1.01 0.04 0.00 -0.60 0.00 0.00 56.93 55.47 2bnq s PHE 36 Cb -0.12 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 2bnq s PHE 36 CO 0.02 -0.16 -0.12 -0.98 0.70 0.00 0.00 175.22 174.67 2bnq s ARG 37 N -3.91 0.80 -0.05 0.44 1.70 -0.37 -0.69 118.95 116.87 2bnq s ARG 37 Ca 0.28 -0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 54.74 2bnq s ARG 37 Cb 0.06 -0.76 0.03 0.00 -0.57 0.00 0.00 34.95 33.71 2bnq s ARG 37 CO 0.07 0.18 0.11 -1.14 -1.08 0.00 0.00 175.30 173.44 2bnq s GLN 38 N -1.32 0.06 -0.01 3.89 0.74 0.42 -1.01 119.66 122.43 2bnq s GLN 38 Ca -0.01 0.28 -0.02 0.00 0.05 0.00 0.00 55.36 55.65 2bnq s GLN 38 Cb -0.08 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.83 2bnq s GLN 38 CO 0.01 -0.14 0.16 -0.51 -0.55 0.00 0.00 175.29 174.27 2bnq s ASP 39 N 0.95 6.24 0.08 6.67 1.01 -1.26 -1.13 116.67 129.22 2bnq s ASP 39 Ca -0.07 0.31 -0.35 0.00 0.71 0.00 0.00 52.55 53.14 2bnq s ASP 39 Cb -0.10 -1.93 -0.15 0.00 1.01 0.00 0.00 42.92 41.75 2bnq s ASP 39 CO -0.04 0.27 1.53 -0.81 0.21 0.00 0.00 175.17 176.33 2bnq n PRO 40 N 1.01 1.70 -0.94 8.23 -0.04 -1.26 -0.58 135.00 143.12 2bnq n PRO 40 Ca -0.11 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2bnq n PRO 40 Cb 0.53 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2bnq n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bnq n GLY 41 N 3.23 0.90 3.63 0.55 0.00 -1.26 -5.01 105.19 107.23 2bnq n GLY 41 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2bnq n GLY 41 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bnq n LYS 42 N -2.15 0.75 -0.41 1.61 4.81 0.25 -5.16 118.16 117.87 2bnq n LYS 42 Ca 0.00 -3.52 0.00 0.00 -0.87 0.00 0.00 58.31 53.92 2bnq n LYS 42 Cb 0.00 0.72 0.00 0.00 0.02 0.00 0.00 35.03 35.77 2bnq n LYS 42 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bnq n GLY 43 N -1.16 0.86 3.56 3.14 0.00 -1.26 -4.68 105.19 105.65 2bnq n GLY 43 Ca -0.13 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2bnq n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnq s LEU 44 N 0.00 3.83 -0.22 0.99 1.43 -1.26 -4.13 118.68 119.32 2bnq s LEU 44 Ca 0.00 -0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2bnq s LEU 44 Cb 0.00 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 2bnq s LEU 44 CO 0.00 0.00 0.08 -0.89 0.23 0.00 0.00 176.35 175.77 2bnq s THR 45 N 1.42 4.69 0.09 5.49 2.01 -0.18 -4.95 115.64 124.21 2bnq s THR 45 Ca 0.06 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2bnq s THR 45 Cb -0.15 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.15 2bnq s THR 45 CO 0.06 0.39 1.14 -0.55 -0.69 0.00 0.00 174.62 174.97 2bnq s SER 46 N 0.98 7.17 -0.17 3.53 0.15 -1.26 -1.24 113.70 122.86 2bnq s SER 46 Ca 0.04 2.00 -0.16 0.00 0.70 0.00 0.00 55.95 58.54 2bnq s SER 46 Cb -0.14 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 2bnq s SER 46 CO 0.03 -0.37 -0.32 0.18 1.20 0.00 0.00 173.24 173.97 2bnq n LEU 47 N 3.40 1.85 -3.93 3.45 4.77 0.11 -4.95 117.00 121.71 2bnq n LEU 47 Ca 0.06 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 2bnq n LEU 47 Cb 0.47 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 2bnq n LEU 47 CO 0.55 -0.16 -0.25 -0.76 -1.33 0.00 0.00 177.39 175.44 2bnq s LEU 48 N -7.74 1.87 -0.11 2.23 1.43 -1.16 -4.94 118.68 110.26 2bnq s LEU 48 Ca -0.28 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.43 2bnq s LEU 48 Cb 0.06 0.44 0.03 0.00 0.03 0.00 0.00 46.19 46.74 2bnq s LEU 48 CO 0.40 -0.37 -0.04 -0.22 0.23 0.00 0.00 176.35 176.35 2bnq s LEU 49 N -1.56 1.03 -0.21 1.79 1.98 -1.26 -1.21 118.68 119.24 2bnq s LEU 49 Ca -0.13 -0.28 -0.02 0.00 -2.89 0.00 0.00 54.13 50.80 2bnq s LEU 49 Cb -0.07 -0.71 0.01 0.00 0.66 0.00 0.00 46.19 46.07 2bnq s LEU 49 CO -0.01 -0.16 -0.10 -0.51 -1.89 0.00 0.00 176.35 173.69 2bnq s ILE 50 N 1.79 2.84 0.43 6.68 2.07 0.16 -4.91 121.20 130.26 2bnq s ILE 50 Ca 0.04 -0.71 -0.23 0.00 -1.41 0.00 0.00 60.65 58.34 2bnq s ILE 50 Cb -0.13 -2.28 -0.08 0.00 0.13 0.00 0.00 42.46 40.10 2bnq s ILE 50 CO -0.07 0.45 1.11 -1.10 -1.91 0.00 0.00 174.94 173.42 2bnq s GLN 51 N 1.40 3.93 0.64 3.50 -0.21 -1.26 -0.84 119.66 126.81 2bnq s GLN 51 Ca 0.05 1.65 0.35 0.00 0.02 0.00 0.00 55.36 57.43 2bnq s GLN 51 Cb -0.14 -2.45 1.94 0.00 1.00 0.00 0.00 33.01 33.35 2bnq s GLN 51 CO -0.07 -0.38 2.15 0.66 -2.12 0.00 0.00 175.29 175.53 2bnq h SER 52 N 2.22 0.00 0.87 5.90 4.64 -1.39 0.73 113.55 126.52 2bnq h SER 52 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bnq h SER 52 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2bnq h SER 52 CO 0.61 0.00 -0.35 -1.54 -0.87 0.00 0.00 176.83 174.68 2bnq n SER 53 N -3.26 0.49 -4.92 4.97 3.41 -1.26 -4.90 113.62 108.15 2bnq n SER 53 Ca -0.01 0.16 -0.20 0.00 -0.26 0.00 0.00 58.87 58.56 2bnq n SER 53 Cb 0.24 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.06 2bnq n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bnq s GLN 54 N -3.07 2.99 -0.22 4.33 -1.52 0.25 -5.07 119.66 117.34 2bnq s GLN 54 Ca 0.10 -1.09 0.09 0.00 -1.95 0.00 0.00 55.36 52.50 2bnq s GLN 54 Cb 0.16 -2.67 -0.19 0.00 -0.22 0.00 0.00 33.01 30.08 2bnq s GLN 54 CO 0.65 0.16 -0.09 -2.13 -0.25 0.00 0.00 175.29 173.62 2bnq n ARG 55 N -1.46 0.73 -3.73 2.91 0.63 -1.26 -4.77 116.66 109.71 2bnq n ARG 55 Ca -0.03 0.08 -0.09 0.00 -0.92 0.00 0.00 57.85 56.89 2bnq n ARG 55 Cb 0.59 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 2bnq n ARG 55 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2bnq s GLU 56 N -2.48 1.46 -0.01 -0.14 -1.05 -1.26 -0.88 118.70 114.34 2bnq s GLU 56 Ca -0.23 -0.85 -0.04 0.00 -0.15 0.00 0.00 54.97 53.71 2bnq s GLU 56 Cb 0.07 0.55 -0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2bnq s GLU 56 CO 0.66 -0.64 0.08 -0.65 0.95 0.00 0.00 175.26 175.67 2bnq s GLN 57 N -3.87 0.29 0.02 -4.83 -1.52 -0.77 -5.00 119.66 103.99 2bnq s GLN 57 Ca 0.09 -0.24 0.03 0.00 -1.95 0.00 0.00 55.36 53.28 2bnq s GLN 57 Cb -0.02 0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 32.87 2bnq s GLN 57 CO -0.02 -0.06 -0.09 0.99 -0.25 0.00 0.00 175.29 175.87 2bnq s THR 58 N -0.84 0.64 -0.29 -0.19 2.01 -1.26 -1.15 115.64 114.56 2bnq s THR 58 Ca -0.09 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.19 2bnq s THR 58 Cb -0.06 -0.62 0.17 0.00 0.01 0.00 0.00 72.50 72.01 2bnq s THR 58 CO 0.00 -0.09 0.45 -0.55 -0.69 0.00 0.00 174.62 173.74 2bnq s SER 59 N -0.92 -0.07 1.90 3.53 0.15 0.53 -5.00 113.70 113.82 2bnq s SER 59 Ca -0.03 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2bnq s SER 59 Cb -0.06 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 2bnq s SER 59 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.72 2bnq n GLY 60 N 5.37 3.49 0.00 9.45 0.00 -1.26 -1.35 105.19 120.89 2bnq n GLY 60 Ca 0.01 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.08 2bnq n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnq n ARG 61 N 13.79 0.80 -3.86 1.61 1.74 -1.26 -4.80 116.66 124.69 2bnq n ARG 61 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 2bnq n ARG 61 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2bnq n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bnq s LEU 62 N -2.16 4.21 -0.08 0.55 1.02 -0.45 -1.10 118.68 120.66 2bnq s LEU 62 Ca 0.41 0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.82 2bnq s LEU 62 Cb 0.21 -2.05 0.03 0.00 0.02 0.00 0.00 46.19 44.39 2bnq s LEU 62 CO 0.38 0.29 0.19 0.21 0.02 0.00 0.00 176.35 177.44 2bnq s ASN 63 N -0.32 -0.19 0.03 2.29 3.84 -0.44 -0.34 114.94 119.81 2bnq s ASN 63 Ca 0.11 0.39 0.03 0.00 0.21 0.00 0.00 52.86 53.60 2bnq s ASN 63 Cb -0.12 0.34 -0.02 0.00 -0.55 0.00 0.00 41.25 40.90 2bnq s ASN 63 CO 0.01 -0.11 -0.09 0.00 -2.79 0.00 0.00 177.10 174.12 2bnq s ALA 64 N 0.63 0.77 0.17 1.71 0.00 -0.30 0.92 121.76 125.66 2bnq s ALA 64 Ca -0.04 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.40 2bnq s ALA 64 Cb -0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2bnq s ALA 64 CO -0.03 0.11 -0.22 -1.54 0.00 0.00 0.00 175.76 174.08 2bnq s SER 65 N -0.96 3.57 -0.08 0.00 1.04 -0.17 -1.84 113.70 115.25 2bnq s SER 65 Ca -0.02 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.66 2bnq s SER 65 Cb -0.07 -0.34 0.02 0.00 0.10 0.00 0.00 66.02 65.73 2bnq s SER 65 CO 0.00 0.14 -0.11 -0.22 0.98 0.00 0.00 173.24 174.03 2bnq s LEU 66 N -2.48 1.54 -0.66 2.42 2.96 -0.06 -1.84 118.68 120.57 2bnq s LEU 66 Ca 0.19 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2bnq s LEU 66 Cb -0.09 -0.87 0.17 0.00 0.50 0.00 0.00 46.19 45.90 2bnq s LEU 66 CO 0.10 -0.01 0.46 -0.62 -1.32 0.00 0.00 176.35 174.96 2bnq s ASP 67 N 0.99 4.37 0.24 3.68 -1.08 0.40 -4.77 116.67 120.50 2bnq s ASP 67 Ca -0.08 -3.71 -0.04 0.00 -0.52 0.00 0.00 52.55 48.20 2bnq s ASP 67 Cb -0.15 -1.48 0.42 0.00 -1.46 0.00 0.00 42.92 40.25 2bnq s ASP 67 CO -0.00 -0.10 1.79 0.50 0.52 0.00 0.00 175.17 177.87 2bnq h LYS 68 N 5.49 0.69 -0.78 4.34 3.64 -1.93 -0.09 116.57 127.93 2bnq h LYS 68 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2bnq h LYS 68 Cb 0.78 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2bnq h LYS 68 CO 0.67 0.45 0.40 0.66 -2.27 0.00 0.00 179.45 179.36 2bnq h SER 69 N 0.71 0.99 0.27 4.20 4.64 -1.93 -1.84 113.55 120.59 2bnq h SER 69 Ca 0.40 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2bnq h SER 69 Cb 0.44 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2bnq h SER 69 CO -0.28 0.82 -0.13 -1.20 -0.87 0.00 0.00 176.83 175.18 2bnq n SER 70 N -4.33 0.68 -3.18 4.97 7.64 -0.69 -4.94 113.62 113.77 2bnq n SER 70 Ca 0.08 -0.77 -0.18 0.00 1.01 0.00 0.00 58.87 59.01 2bnq n SER 70 Cb 0.12 -0.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.38 2bnq n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bnq n GLY 71 N 1.27 -0.31 3.22 0.23 0.00 -0.13 -4.90 105.19 104.56 2bnq n GLY 71 Ca 0.15 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 2bnq n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bnq s ARG 72 N -5.62 0.75 0.02 1.61 1.70 -0.90 -1.28 118.95 115.22 2bnq s ARG 72 Ca 0.23 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.97 2bnq s ARG 72 Cb -0.10 0.32 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2bnq s ARG 72 CO 0.64 -0.23 -0.03 0.45 -1.08 0.00 0.00 175.30 175.05 2bnq s SER 73 N -1.99 0.28 -0.06 -2.89 0.15 -0.37 -0.46 113.70 108.35 2bnq s SER 73 Ca -0.06 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.24 2bnq s SER 73 Cb -0.01 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2bnq s SER 73 CO -0.03 -0.21 -0.14 -0.89 1.20 0.00 0.00 173.24 173.17 2bnq s THR 74 N -1.08 1.27 -0.22 6.45 2.01 -0.77 -0.88 115.64 122.42 2bnq s THR 74 Ca -0.11 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2bnq s THR 74 Cb -0.08 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2bnq s THR 74 CO -0.01 0.38 0.00 -0.22 -0.69 0.00 0.00 174.62 174.09 2bnq s LEU 75 N 0.49 3.17 -0.15 4.42 2.96 0.27 -1.00 118.68 128.84 2bnq s LEU 75 Ca -0.13 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2bnq s LEU 75 Cb -0.15 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2bnq s LEU 75 CO 0.04 0.01 0.02 -0.31 -1.32 0.00 0.00 176.35 174.79 2bnq s TYR 76 N 1.34 3.18 -0.23 5.38 2.02 0.26 -0.52 117.35 128.79 2bnq s TYR 76 Ca 0.04 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.78 2bnq s TYR 76 Cb -0.15 -1.96 0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2bnq s TYR 76 CO 0.00 0.21 -0.10 0.42 -1.57 0.00 0.00 175.55 174.52 2bnq s ILE 77 N -0.03 1.81 0.30 2.71 1.01 -0.78 -1.32 121.20 124.91 2bnq s ILE 77 Ca 0.04 -1.27 -0.19 0.00 0.00 0.00 0.00 60.65 59.23 2bnq s ILE 77 Cb -0.13 -1.94 -0.09 0.00 0.01 0.00 0.00 42.46 40.32 2bnq s ILE 77 CO 0.02 0.05 0.80 0.00 0.00 0.00 0.00 174.94 175.81 2bnq s ALA 78 N 1.29 3.29 -1.24 9.38 0.00 -0.26 -1.12 121.76 133.10 2bnq s ALA 78 Ca -0.05 0.22 -0.33 0.00 0.00 0.00 0.00 51.96 51.80 2bnq s ALA 78 Cb -0.18 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.07 2bnq s ALA 78 CO -0.07 0.27 0.64 0.00 0.00 0.00 0.00 175.76 176.60 2bnq n ALA 79 N 0.13 -2.57 -1.53 0.00 0.00 -1.25 -4.80 120.51 110.48 2bnq n ALA 79 Ca 0.02 -0.58 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 2bnq n ALA 79 Cb 0.52 -2.50 0.01 0.00 0.00 0.00 0.00 19.45 17.48 2bnq n ALA 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bnq n SER 80 N -2.20 0.12 -4.38 0.00 3.41 -0.84 -4.56 113.62 105.16 2bnq n SER 80 Ca -0.13 0.95 -0.20 0.00 -0.26 0.00 0.00 58.87 59.23 2bnq n SER 80 Cb 0.57 -1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.19 2bnq n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bnq s GLN 81 N -1.85 1.43 0.36 4.33 -0.21 -1.26 -0.08 119.66 122.36 2bnq s GLN 81 Ca 0.64 -1.63 0.10 0.00 0.02 0.00 0.00 55.36 54.49 2bnq s GLN 81 Cb -0.57 -1.31 0.85 0.00 1.00 0.00 0.00 33.01 32.98 2bnq s GLN 81 CO 0.57 0.23 1.84 -1.35 -2.12 0.00 0.00 175.29 174.46 2bnq h PRO 82 N 2.50 0.64 0.00 2.91 0.11 -1.90 0.49 132.00 136.75 2bnq h PRO 82 Ca -0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2bnq h PRO 82 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bnq h PRO 82 CO 0.61 0.42 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 2bnq n GLY 83 N -1.43 -0.79 0.02 -0.55 0.00 -1.26 -1.25 105.19 99.93 2bnq n GLY 83 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 2bnq n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bnq n ASP 84 N -1.62 0.14 -4.69 1.61 8.00 0.16 -4.84 116.55 115.31 2bnq n ASP 84 Ca 0.01 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 2bnq n ASP 84 Cb 0.09 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 2bnq n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bnq s SER 85 N -2.79 6.42 0.00 -2.24 0.01 -0.38 -4.87 113.70 109.85 2bnq s SER 85 Ca 0.20 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.22 2bnq s SER 85 Cb 0.19 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2bnq s SER 85 CO 0.52 -1.02 0.00 0.00 0.41 0.00 0.00 173.24 173.15 2bnq n ALA 86 N 6.05 0.00 -2.68 1.44 0.00 -0.56 -4.91 120.51 119.85 2bnq n ALA 86 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 2bnq n ALA 86 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 2bnq n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bnq s THR 87 N -2.04 5.36 -0.24 0.00 2.01 -0.28 -0.60 115.64 119.85 2bnq s THR 87 Ca 0.00 0.22 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 2bnq s THR 87 Cb 0.00 -3.51 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2bnq s THR 87 CO 0.00 0.37 0.14 -0.31 -0.69 0.00 0.00 174.62 174.13 2bnq s TYR 88 N 0.87 3.27 -0.06 4.92 1.51 -0.26 -0.44 117.35 127.17 2bnq s TYR 88 Ca 0.08 0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 2bnq s TYR 88 Cb -0.13 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 2bnq s TYR 88 CO 0.03 0.00 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.88 2bnq s LEU 89 N 1.13 3.08 -0.05 -1.29 1.43 0.14 -1.20 118.68 121.91 2bnq s LEU 89 Ca 0.07 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 2bnq s LEU 89 Cb -0.14 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2bnq s LEU 89 CO 0.05 0.35 -0.18 0.00 0.23 0.00 0.00 176.35 176.80 2bnq s ALA 91 N -0.50 -0.05 0.15 0.00 0.00 -0.04 -0.58 121.76 120.74 2bnq s ALA 91 Ca 0.06 -0.46 0.05 0.00 0.00 0.00 0.00 51.96 51.62 2bnq s ALA 91 Cb -0.12 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2bnq s ALA 91 CO 0.01 -0.21 -0.12 0.14 0.00 0.00 0.00 175.76 175.58 2bnq s VAL 92 N -1.76 1.28 0.04 0.00 -7.23 -0.67 -0.33 120.40 111.74 2bnq s VAL 92 Ca -0.13 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.14 2bnq s VAL 92 Cb -0.07 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 2bnq s VAL 92 CO -0.01 -0.64 -0.22 -0.13 -0.31 0.00 0.00 175.10 173.79 2bnq s ARG 93 N -3.43 1.48 0.32 4.82 1.81 -1.11 -0.94 118.95 121.91 2bnq s ARG 93 Ca 0.15 -0.95 -0.27 0.00 -1.72 0.00 0.00 55.73 52.94 2bnq s ARG 93 Cb 0.00 -1.59 -0.09 0.00 -0.45 0.00 0.00 34.95 32.82 2bnq s ARG 93 CO 0.02 0.41 1.08 -1.25 -0.68 0.00 0.00 175.30 174.88 2bnq s PRO 94 N -1.12 4.46 0.22 3.54 0.04 -1.26 0.28 135.00 141.16 2bnq s PRO 94 Ca 0.08 1.70 0.09 0.00 0.04 0.00 0.00 61.00 62.91 2bnq s PRO 94 Cb -0.09 -2.96 0.17 0.00 0.04 0.00 0.00 34.50 31.67 2bnq s PRO 94 CO 0.02 0.08 1.50 1.79 0.04 0.00 0.00 177.00 180.42 2bnq h THR 95 N 2.76 1.52 -4.30 1.26 1.35 -1.65 -3.39 112.91 110.47 2bnq h THR 95 Ca -0.47 -2.50 -0.49 0.00 -0.55 0.00 0.00 66.41 62.40 2bnq h THR 95 Cb 1.21 2.35 -0.13 0.00 -1.73 0.00 0.00 68.15 69.85 2bnq h THR 95 CO 0.65 0.72 -0.50 -0.94 -0.25 0.00 0.00 175.52 175.20 2bnq s SER 96 N -6.82 1.91 0.00 5.36 1.04 -1.26 -4.95 113.70 108.98 2bnq s SER 96 Ca -0.01 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 54.69 2bnq s SER 96 Cb 0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2bnq s SER 96 CO 0.79 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2bnq n GLY 97 N -0.69 3.12 1.07 7.32 0.00 -1.26 -4.78 105.19 109.97 2bnq n GLY 97 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.94 2bnq n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bnq n GLY 98 N 0.00 0.75 0.06 -0.02 0.00 -1.26 -4.94 105.19 99.78 2bnq n GLY 98 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2bnq n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bnq n SER 99 N 0.00 1.82 0.00 1.61 3.41 -1.26 -4.99 113.62 114.21 2bnq n SER 99 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2bnq n SER 99 Cb 0.00 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2bnq n SER 99 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2bnq n TYR 100 N -2.42 0.00 -2.12 7.33 4.02 -1.26 -4.94 117.16 117.77 2bnq n TYR 100 Ca -0.19 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.28 2bnq n TYR 100 Cb 0.85 -1.17 -0.03 0.00 -0.02 0.00 0.00 39.34 38.97 2bnq n TYR 100 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2bnq s ILE 101 N -1.67 3.26 0.68 -0.72 1.01 -1.26 -4.82 121.20 117.68 2bnq s ILE 101 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 2bnq s ILE 101 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 2bnq s ILE 101 CO 0.00 0.04 1.06 -2.84 0.00 0.00 0.00 174.94 173.20 2bnq s PRO 102 N 1.55 3.05 -0.13 2.79 0.02 -1.26 -4.41 135.00 136.60 2bnq s PRO 102 Ca 0.66 0.87 0.02 0.00 0.02 0.00 0.00 61.00 62.57 2bnq s PRO 102 Cb -0.37 -2.01 0.01 0.00 0.02 0.00 0.00 34.50 32.15 2bnq s PRO 102 CO 0.30 -1.00 -0.19 0.99 -0.33 0.00 0.00 177.00 176.78 2bnq s THR 103 N -3.09 1.82 0.06 0.99 2.01 -0.11 -4.96 115.64 112.35 2bnq s THR 103 Ca 0.57 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.76 2bnq s THR 103 Cb -0.13 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 2bnq s THR 103 CO 0.55 0.50 0.15 -0.36 -0.69 0.00 0.00 174.62 174.77 2bnq s PHE 104 N 1.00 3.36 0.61 4.92 0.40 -1.26 -1.67 117.98 125.34 2bnq s PHE 104 Ca -0.04 0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.42 2bnq s PHE 104 Cb -0.15 -1.70 0.03 0.00 0.51 0.00 0.00 43.02 41.72 2bnq s PHE 104 CO -0.04 0.56 0.90 0.20 0.70 0.00 0.00 175.22 177.54 2bnq s GLY 105 N -2.42 1.68 0.00 4.36 0.00 0.25 -4.59 107.32 106.60 2bnq s GLY 105 Ca 0.32 -0.95 0.26 0.00 0.00 0.00 0.00 44.72 44.36 2bnq s GLY 105 CO 0.25 -0.63 1.86 0.54 0.00 0.00 0.00 173.10 175.11 2bnq n ARG 106 N -2.62 1.35 0.00 2.90 5.12 -1.26 -4.65 116.66 117.50 2bnq n ARG 106 Ca 0.06 -0.52 0.00 0.00 -1.93 0.00 0.00 57.85 55.46 2bnq n ARG 106 Cb 0.59 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.45 2bnq n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bnq n GLY 107 N 1.05 -2.17 3.08 -0.13 0.00 -1.26 -4.97 105.19 100.79 2bnq n GLY 107 Ca 0.19 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2bnq n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bnq s THR 108 N -2.74 1.81 -0.18 2.61 2.01 -0.34 -4.72 115.64 114.08 2bnq s THR 108 Ca 0.00 -0.79 -0.28 0.00 0.31 0.00 0.00 61.69 60.93 2bnq s THR 108 Cb 0.00 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 2bnq s THR 108 CO 0.00 0.50 0.96 -0.94 -0.69 0.00 0.00 174.62 174.45 2bnq s SER 109 N 1.30 7.08 -0.10 3.53 1.04 0.10 -1.11 113.70 125.55 2bnq s SER 109 Ca 0.03 1.35 0.02 0.00 0.48 0.00 0.00 55.95 57.82 2bnq s SER 109 Cb -0.13 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 2bnq s SER 109 CO -0.10 -0.53 -0.16 -0.22 0.98 0.00 0.00 173.24 173.21 2bnq s LEU 110 N 2.59 2.57 -0.13 2.42 2.96 0.23 0.14 118.68 129.46 2bnq s LEU 110 Ca 0.43 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2bnq s LEU 110 Cb -0.16 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.00 2bnq s LEU 110 CO 0.11 0.21 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.70 2bnq s ILE 111 N 0.10 1.43 -0.38 6.68 2.07 -0.02 -1.50 121.20 129.59 2bnq s ILE 111 Ca -0.07 -0.56 -0.09 0.00 -1.41 0.00 0.00 60.65 58.51 2bnq s ILE 111 Cb -0.15 -1.35 0.05 0.00 0.13 0.00 0.00 42.46 41.14 2bnq s ILE 111 CO 0.05 0.43 0.20 -0.69 -1.91 0.00 0.00 174.94 173.02 2bnq s VAL 112 N 1.37 4.23 0.03 4.00 1.01 -1.26 -0.96 120.40 128.82 2bnq s VAL 112 Ca 0.01 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2bnq s VAL 112 Cb -0.13 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2bnq s VAL 112 CO -0.07 -0.32 1.25 -1.00 0.00 0.00 0.00 175.10 174.96 2bnq s HIS 113 N 1.47 3.26 0.54 5.22 0.09 0.14 -4.23 115.29 121.77 2bnq s HIS 113 Ca 0.01 1.16 -0.22 0.00 -0.00 0.00 0.00 55.06 56.02 2bnq s HIS 113 Cb -0.21 -3.49 -0.05 0.00 -0.00 0.00 0.00 32.58 28.84 2bnq s HIS 113 CO 0.04 -1.60 1.34 -2.14 -0.00 0.00 0.00 174.74 172.38 2bnq s PRO 114 N 1.57 3.19 -0.36 8.40 0.02 -1.26 -1.16 135.00 145.40 2bnq s PRO 114 Ca 0.59 2.19 -0.17 0.00 0.02 0.00 0.00 61.00 63.63 2bnq s PRO 114 Cb -0.29 -2.26 -0.00 0.00 0.02 0.00 0.00 34.50 31.96 2bnq s PRO 114 CO 0.27 -1.14 0.46 -0.47 -0.33 0.00 0.00 177.00 175.80 2bnq s TYR 115 N -1.33 3.18 -0.51 6.54 6.14 -1.26 -4.45 117.35 125.66 2bnq s TYR 115 Ca 0.71 0.04 -0.18 0.00 0.64 0.00 0.00 57.07 58.28 2bnq s TYR 115 Cb -0.39 -2.86 0.07 0.00 0.42 0.00 0.00 41.96 39.20 2bnq s TYR 115 CO 0.46 -0.54 0.57 0.42 0.64 0.00 0.00 175.55 177.11 2bnq s ILE 116 N 2.27 4.97 0.26 3.14 1.09 -1.26 -4.94 121.20 126.72 2bnq s ILE 116 Ca 0.16 -0.72 -0.03 0.00 -1.10 0.00 0.00 60.65 58.96 2bnq s ILE 116 Cb -0.16 -4.28 0.27 0.00 -1.06 0.00 0.00 42.46 37.23 2bnq s ILE 116 CO 0.13 -0.79 1.89 -0.61 -0.10 0.00 0.00 174.94 175.47 2bnq h GLN 117 N 8.95 1.18 -2.60 2.79 -0.00 -1.95 -3.35 115.11 120.13 2bnq h GLN 117 Ca -0.28 -0.07 -0.60 0.00 -0.00 0.00 0.00 58.65 57.70 2bnq h GLN 117 Cb 1.10 -0.27 -0.39 0.00 0.00 0.00 0.00 27.48 27.92 2bnq h GLN 117 CO 0.96 0.78 -0.85 -0.80 0.00 0.00 0.00 178.83 178.92 2bnq s ASN 118 N -5.94 2.52 0.22 -0.69 0.01 -1.26 -5.11 114.94 104.69 2bnq s ASN 118 Ca -0.13 -3.32 -0.32 0.00 -0.71 0.00 0.00 52.86 48.38 2bnq s ASN 118 Cb 0.20 -0.82 -0.14 0.00 0.41 0.00 0.00 41.25 40.90 2bnq s ASN 118 CO 0.81 -0.14 1.41 -2.65 -1.51 0.00 0.00 177.10 175.02 2bnq n PRO 119 N 2.56 1.94 -2.97 -0.60 -0.02 -1.26 -4.94 135.00 129.73 2bnq n PRO 119 Ca 0.27 0.69 -0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2bnq n PRO 119 Cb 0.44 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2bnq n PRO 119 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bnq n ASP 120 N 2.35 -0.28 -4.62 2.55 -0.08 0.40 -5.03 116.55 111.84 2bnq n ASP 120 Ca 0.13 -3.17 -0.48 0.00 -1.51 0.00 0.00 54.79 49.75 2bnq n ASP 120 Cb 0.30 0.29 -0.04 0.00 2.34 0.00 0.00 41.12 44.01 2bnq n ASP 120 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bnq n PRO 121 N 0.22 1.55 -3.56 -0.67 -0.04 -1.10 -4.60 135.00 126.81 2bnq n PRO 121 Ca 0.16 0.56 -0.14 0.00 -0.04 0.00 0.00 63.50 64.04 2bnq n PRO 121 Cb 0.70 -2.19 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2bnq n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bnq s ALA 122 N 0.29 -1.38 -0.17 0.55 0.00 -0.83 -0.70 121.76 119.53 2bnq s ALA 122 Ca 0.77 0.64 0.01 0.00 0.00 0.00 0.00 51.96 53.38 2bnq s ALA 122 Cb -0.80 0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.72 2bnq s ALA 122 CO 0.47 -0.51 -0.18 0.08 0.00 0.00 0.00 175.76 175.62 2bnq s VAL 123 N -2.44 1.90 0.19 0.00 1.01 -0.54 -1.16 120.40 119.37 2bnq s VAL 123 Ca -0.05 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.19 2bnq s VAL 123 Cb -0.01 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 2bnq s VAL 123 CO -0.02 0.51 -0.17 -0.31 0.00 0.00 0.00 175.10 175.12 2bnq s TYR 124 N 1.36 2.47 -0.19 5.22 2.02 0.24 -4.37 117.35 124.09 2bnq s TYR 124 Ca 0.05 -0.29 -0.05 0.00 -0.37 0.00 0.00 57.07 56.40 2bnq s TYR 124 Cb -0.13 -1.21 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 2bnq s TYR 124 CO -0.12 0.52 0.01 -1.14 -1.57 0.00 0.00 175.55 173.25 2bnq s GLN 125 N -2.79 3.71 -0.12 -0.62 0.74 -1.26 -0.43 119.66 118.89 2bnq s GLN 125 Ca 0.23 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2bnq s GLN 125 Cb -0.08 -3.10 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 2bnq s GLN 125 CO 0.13 0.10 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.29 2bnq s LEU 126 N 0.79 2.54 0.08 3.68 1.43 -0.28 -4.98 118.68 121.94 2bnq s LEU 126 Ca 0.01 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2bnq s LEU 126 Cb -0.14 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 2bnq s LEU 126 CO 0.02 0.18 0.27 -0.13 0.23 0.00 0.00 176.35 176.92 2bnq s ARG 127 N 0.28 3.52 0.25 1.70 0.52 -1.26 -1.22 118.95 122.73 2bnq s ARG 127 Ca -0.12 -0.27 -0.31 0.00 -0.52 0.00 0.00 55.73 54.51 2bnq s ARG 127 Cb -0.16 -2.98 -0.12 0.00 0.52 0.00 0.00 34.95 32.20 2bnq s ARG 127 CO 0.06 0.57 1.60 -3.47 0.02 0.00 0.00 175.30 174.08 2bnq n ASP 128 N 0.36 3.64 0.27 0.23 -0.08 -0.50 -4.87 116.55 115.60 2bnq n ASP 128 Ca -0.05 1.12 0.16 0.00 -1.51 0.00 0.00 54.79 54.50 2bnq n ASP 128 Cb 0.52 -1.54 0.72 0.00 2.34 0.00 0.00 41.12 43.15 2bnq n ASP 128 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2bnq h SER 129 N 5.32 0.00 0.83 1.67 4.64 -1.96 -2.67 113.55 121.38 2bnq h SER 129 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2bnq h SER 129 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2bnq h SER 129 CO 0.84 0.06 -1.03 1.17 -0.87 0.00 0.00 176.83 177.00 2bnq n LYS 130 N -3.24 0.52 -3.29 4.77 4.81 -1.26 -4.88 118.16 115.59 2bnq n LYS 130 Ca -0.00 0.08 0.03 0.00 -0.87 0.00 0.00 58.31 57.54 2bnq n LYS 130 Cb 0.29 -1.75 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 2bnq n LYS 130 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2bnq s SER 131 N -4.95 -0.58 0.00 3.14 1.04 -1.01 -4.97 113.70 106.37 2bnq s SER 131 Ca 0.00 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.04 2bnq s SER 131 Cb 0.11 1.59 0.00 0.00 0.10 0.00 0.00 66.02 67.82 2bnq s SER 131 CO 0.79 -0.11 0.17 -1.20 0.98 0.00 0.00 173.24 173.88 2bnq n SER 132 N 5.15 0.06 -0.02 7.02 7.64 -1.24 -2.65 113.62 129.59 2bnq n SER 132 Ca -0.08 -0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.26 2bnq n SER 132 Cb 0.53 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 2bnq n SER 132 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2bnq h ASP 133 N 0.24 -0.01 -2.11 6.43 1.82 -1.93 -3.46 116.42 117.39 2bnq h ASP 133 Ca 0.00 -0.54 -0.52 0.00 -0.39 0.00 0.00 57.03 55.58 2bnq h ASP 133 Cb 0.03 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.98 2bnq h ASP 133 CO 0.00 0.54 -0.55 -1.59 -1.61 0.00 0.00 179.24 176.03 2bnq s LYS 134 N -3.99 2.64 0.35 0.28 -2.85 -1.09 -5.03 119.74 110.06 2bnq s LYS 134 Ca -0.16 -1.26 -0.08 0.00 -1.00 0.00 0.00 55.97 53.47 2bnq s LYS 134 Cb 0.01 -2.38 0.02 0.00 -2.06 0.00 0.00 37.83 33.42 2bnq s LYS 134 CO 0.67 0.31 0.58 -1.54 0.10 0.00 0.00 175.35 175.47 2bnq s SER 135 N -3.82 0.55 0.08 0.03 1.04 -1.26 -1.41 113.70 108.91 2bnq s SER 135 Ca 0.34 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 55.45 2bnq s SER 135 Cb -0.06 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 2bnq s SER 135 CO 0.23 -1.42 -0.06 0.68 0.98 0.00 0.00 173.24 173.66 2bnq s VAL 136 N -2.88 0.57 -0.15 5.02 -7.23 -0.36 -4.69 120.40 110.67 2bnq s VAL 136 Ca 0.25 -1.87 -0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2bnq s VAL 136 Cb -0.02 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2bnq s VAL 136 CO 0.17 -0.89 -0.08 0.00 -0.31 0.00 0.00 175.10 173.99 2bnq s LEU 138 N 0.47 3.33 -0.28 0.00 2.96 0.42 -0.96 118.68 124.63 2bnq s LEU 138 Ca -0.06 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 52.99 2bnq s LEU 138 Cb -0.15 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.75 2bnq s LEU 138 CO 0.04 -0.13 0.25 0.12 -1.32 0.00 0.00 176.35 175.31 2bnq s PHE 139 N 1.41 3.23 0.17 5.38 5.36 -0.51 -0.59 117.98 132.42 2bnq s PHE 139 Ca 0.02 0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 56.14 2bnq s PHE 139 Cb -0.16 -2.44 -0.02 0.00 -0.34 0.00 0.00 43.02 40.06 2bnq s PHE 139 CO -0.02 -0.18 0.24 -0.08 -1.46 0.00 0.00 175.22 173.72 2bnq s THR 140 N 1.85 0.06 -1.49 0.12 -1.32 -0.31 -1.04 115.64 113.50 2bnq s THR 140 Ca 0.10 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2bnq s THR 140 Cb -0.16 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.83 2bnq s THR 140 CO 0.11 -0.26 0.00 0.47 -2.21 0.00 0.00 174.62 172.73 2bnq n ASP 141 N -0.22 -4.72 -4.92 8.08 8.00 -0.41 -1.97 116.55 120.39 2bnq n ASP 141 Ca -0.05 0.25 -0.26 0.00 0.71 0.00 0.00 54.79 55.43 2bnq n ASP 141 Cb 0.63 -3.65 -0.01 0.00 -0.02 0.00 0.00 41.12 38.08 2bnq n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2bnq s PHE 142 N -2.62 3.54 0.82 1.24 -0.71 -1.26 -0.45 117.98 118.53 2bnq s PHE 142 Ca 0.00 0.66 -0.06 0.00 -1.04 0.00 0.00 56.93 56.49 2bnq s PHE 142 Cb 0.00 -2.16 0.17 0.00 -1.21 0.00 0.00 43.02 39.81 2bnq s PHE 142 CO 0.00 -0.13 1.12 0.16 -1.34 0.00 0.00 175.22 175.03 2bnq s ASP 143 N -4.05 3.80 0.60 1.98 1.47 -1.26 -4.48 116.67 114.73 2bnq s ASP 143 Ca 0.45 -0.24 0.30 0.00 1.18 0.00 0.00 52.55 54.24 2bnq s ASP 143 Cb -0.10 0.04 1.66 0.00 -0.34 0.00 0.00 42.92 44.18 2bnq s ASP 143 CO 0.41 -2.25 1.92 0.77 0.68 0.00 0.00 175.17 176.71 2bnq h SER 144 N -0.96 0.00 0.80 2.11 4.64 -1.95 -2.89 113.55 115.30 2bnq h SER 144 Ca -0.38 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 2bnq h SER 144 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2bnq h SER 144 CO 0.37 0.00 -0.14 1.56 -0.87 0.00 0.00 176.83 177.74 2bnq h GLN 145 N 0.00 0.00 -6.04 4.77 4.20 -1.96 -3.44 115.11 112.63 2bnq h GLN 145 Ca 0.00 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.11 2bnq h GLN 145 Cb 0.46 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 2bnq h GLN 145 CO 0.00 0.14 -0.23 0.95 -0.67 0.00 0.00 178.83 179.03 2bnq s THR 146 N -3.78 5.07 0.03 -0.54 -4.23 -1.09 -5.08 115.64 106.02 2bnq s THR 146 Ca -0.00 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 2bnq s THR 146 Cb 0.11 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.24 2bnq s THR 146 CO 0.60 0.46 -0.15 0.20 -0.54 0.00 0.00 174.62 175.19 2bnq s ASN 147 N -1.36 4.03 -0.24 3.99 0.01 -1.26 -5.01 114.94 115.09 2bnq s ASN 147 Ca 0.27 -0.35 -0.08 0.00 -0.71 0.00 0.00 52.86 51.99 2bnq s ASN 147 Cb -0.15 -0.74 -0.04 0.00 0.41 0.00 0.00 41.25 40.73 2bnq s ASN 147 CO 0.15 0.26 0.10 -0.69 -1.51 0.00 0.00 177.10 175.41 2bnq s VAL 148 N -0.95 4.75 0.30 1.60 1.01 -1.26 -4.34 120.40 121.52 2bnq s VAL 148 Ca 0.15 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2bnq s VAL 148 Cb -0.11 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2bnq s VAL 148 CO 0.06 0.35 0.48 -0.44 0.00 0.00 0.00 175.10 175.55 2bnq s SER 149 N 1.28 6.31 0.77 3.32 0.01 -1.26 -4.89 113.70 119.24 2bnq s SER 149 Ca 0.06 0.33 -0.11 0.00 1.31 0.00 0.00 55.95 57.53 2bnq s SER 149 Cb -0.14 -1.98 0.05 0.00 0.21 0.00 0.00 66.02 64.16 2bnq s SER 149 CO 0.05 -0.20 1.09 -1.10 0.41 0.00 0.00 173.24 173.49 2bnq s GLN 150 N -4.11 2.32 0.87 12.44 -1.52 -1.26 -4.78 119.66 123.61 2bnq s GLN 150 Ca 0.38 0.64 -0.12 0.00 -1.95 0.00 0.00 55.36 54.31 2bnq s GLN 150 Cb -0.10 -1.94 0.11 0.00 -0.22 0.00 0.00 33.01 30.86 2bnq s GLN 150 CO 0.33 -1.46 1.10 0.45 -0.25 0.00 0.00 175.29 175.46 2bnq s SER 151 N -3.98 3.83 0.00 5.90 0.15 -1.26 -4.80 113.70 113.54 2bnq s SER 151 Ca 0.60 1.30 0.22 0.00 0.70 0.00 0.00 55.95 58.78 2bnq s SER 151 Cb -0.14 -1.99 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 2bnq s SER 151 CO 0.54 -2.39 1.07 2.29 1.20 0.00 0.00 173.24 175.96 2bnq n LYS 152 N -3.70 0.04 -4.03 5.44 -0.00 -1.26 -4.91 118.16 109.74 2bnq n LYS 152 Ca 0.07 -0.03 -0.35 0.00 -0.00 0.00 0.00 58.31 58.00 2bnq n LYS 152 Cb 0.56 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 34.03 2bnq n LYS 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bnq s ASP 153 N -2.98 5.98 0.65 -5.58 1.01 -1.26 -5.09 116.67 109.40 2bnq s ASP 153 Ca 0.09 0.30 -0.14 0.00 0.71 0.00 0.00 52.55 53.51 2bnq s ASP 153 Cb 0.17 -1.83 -0.01 0.00 1.01 0.00 0.00 42.92 42.26 2bnq s ASP 153 CO 0.81 0.34 1.08 -0.55 0.21 0.00 0.00 175.17 177.05 2bnq s SER 154 N -1.38 5.35 -1.35 0.27 0.15 -1.26 -3.26 113.70 112.22 2bnq s SER 154 Ca 0.19 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2bnq s SER 154 Cb -0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2bnq s SER 154 CO 0.09 -1.46 0.00 0.47 1.20 0.00 0.00 173.24 173.54 2bnq n ASP 155 N -2.55 -4.77 -4.23 5.45 8.00 -1.26 -4.98 116.55 112.20 2bnq n ASP 155 Ca 0.09 0.31 -0.32 0.00 0.71 0.00 0.00 54.79 55.58 2bnq n ASP 155 Cb 0.53 -3.39 -0.16 0.00 -0.02 0.00 0.00 41.12 38.07 2bnq n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bnq s VAL 156 N -2.39 2.29 -0.12 2.53 1.01 -1.20 -4.31 120.40 118.20 2bnq s VAL 156 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2bnq s VAL 156 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2bnq s VAL 156 CO 0.00 0.54 -0.13 -0.31 0.00 0.00 0.00 175.10 175.20 2bnq s TYR 157 N 0.59 2.81 -0.07 5.22 2.02 -0.41 -4.66 117.35 122.85 2bnq s TYR 157 Ca -0.11 -0.58 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2bnq s TYR 157 Cb -0.16 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 2bnq s TYR 157 CO 0.03 -0.16 -0.04 0.42 -1.57 0.00 0.00 175.55 174.23 2bnq s ILE 158 N 0.23 0.64 0.64 2.71 1.09 -1.26 -1.25 121.20 124.00 2bnq s ILE 158 Ca -0.08 -0.12 -0.06 0.00 -1.10 0.00 0.00 60.65 59.29 2bnq s ILE 158 Cb -0.15 -0.70 0.03 0.00 -1.06 0.00 0.00 42.46 40.58 2bnq s ILE 158 CO 0.05 0.28 0.95 0.42 -0.10 0.00 0.00 174.94 176.54 2bnq s THR 159 N 1.36 3.15 0.62 2.92 -4.23 0.11 -4.90 115.64 114.67 2bnq s THR 159 Ca -0.04 -0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 2bnq s THR 159 Cb -0.14 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.45 2bnq s THR 159 CO -0.03 -0.31 0.91 -0.62 -0.54 0.00 0.00 174.62 174.03 2bnq s ASP 160 N -4.38 5.21 0.37 3.99 2.15 -1.26 -4.35 116.67 118.39 2bnq s ASP 160 Ca 0.56 0.41 -0.28 0.00 0.43 0.00 0.00 52.55 53.68 2bnq s ASP 160 Cb -0.11 -1.25 -0.11 0.00 -0.30 0.00 0.00 42.92 41.15 2bnq s ASP 160 CO 0.45 -1.29 1.45 2.29 -0.17 0.00 0.00 175.17 177.91 2bnq n LYS 161 N -2.64 2.56 -4.36 4.34 2.85 -1.26 -4.56 118.16 115.09 2bnq n LYS 161 Ca 0.07 0.90 -0.19 0.00 -1.05 0.00 0.00 58.31 58.04 2bnq n LYS 161 Cb 0.59 -2.60 -0.15 0.00 -0.65 0.00 0.00 35.03 32.23 2bnq n LYS 161 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2bnq s VAL 163 N -0.18 4.21 0.11 0.00 -7.23 -1.26 -1.37 120.40 114.68 2bnq s VAL 163 Ca 0.03 -0.25 0.09 0.00 -1.81 0.00 0.00 61.98 60.04 2bnq s VAL 163 Cb -0.04 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 2bnq s VAL 163 CO -0.00 0.50 -0.16 -1.48 -0.31 0.00 0.00 175.10 173.64 2bnq s LEU 164 N 0.21 2.77 -0.08 1.32 0.05 -0.21 -4.96 118.68 117.79 2bnq s LEU 164 Ca 0.00 -0.52 0.04 0.00 0.05 0.00 0.00 54.13 53.70 2bnq s LEU 164 Cb -0.13 -1.61 0.00 0.00 -2.05 0.00 0.00 46.19 42.40 2bnq s LEU 164 CO 0.02 0.18 -0.20 -0.62 -0.55 0.00 0.00 176.35 175.18 2bnq s ASP 165 N -2.16 2.58 -0.84 1.48 -1.08 -1.26 -1.48 116.67 113.91 2bnq s ASP 165 Ca 0.19 -0.45 0.01 0.00 -0.52 0.00 0.00 52.55 51.77 2bnq s ASP 165 Cb -0.11 -1.05 0.21 0.00 -1.46 0.00 0.00 42.92 40.51 2bnq s ASP 165 CO 0.11 0.13 0.73 0.23 0.52 0.00 0.00 175.17 176.89 2bnq n MET 166 N 3.47 2.48 -0.17 4.34 2.81 0.12 -4.97 117.12 125.20 2bnq n MET 166 Ca -0.20 -4.50 -0.05 0.00 -1.81 0.00 0.00 57.70 51.14 2bnq n MET 166 Cb 0.52 -2.37 0.01 0.00 -0.71 0.00 0.00 33.22 30.67 2bnq n MET 166 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2bnq h ARG 167 N 5.68 -0.16 0.00 0.03 2.47 -1.96 -0.49 114.38 119.95 2bnq h ARG 167 Ca 0.16 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2bnq h ARG 167 Cb 0.78 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2bnq h ARG 167 CO 0.83 -0.10 0.22 0.66 0.56 0.00 0.00 179.97 182.14 2bnq h SER 168 N -0.16 0.00 -0.05 7.04 4.64 -1.95 0.60 113.55 123.68 2bnq h SER 168 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2bnq h SER 168 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2bnq h SER 168 CO -0.61 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.58 2bnq n MET 169 N -2.24 0.54 -3.95 4.77 2.81 -0.27 -4.98 117.12 113.79 2bnq n MET 169 Ca -0.01 -1.11 -0.27 0.00 -1.81 0.00 0.00 57.70 54.50 2bnq n MET 169 Cb 0.24 -1.15 -0.01 0.00 -0.71 0.00 0.00 33.22 31.59 2bnq n MET 169 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bnq n ASP 170 N 0.39 -1.20 -4.11 7.83 2.03 0.21 -4.95 116.55 116.74 2bnq n ASP 170 Ca 0.05 -0.96 -0.20 0.00 0.52 0.00 0.00 54.79 54.20 2bnq n ASP 170 Cb 0.22 -3.23 -0.14 0.00 -0.72 0.00 0.00 41.12 37.25 2bnq n ASP 170 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2bnq s PHE 171 N -3.77 1.15 0.06 -0.67 5.36 -0.97 -5.02 117.98 114.12 2bnq s PHE 171 Ca 0.16 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.85 2bnq s PHE 171 Cb -0.08 -0.71 -0.03 0.00 -0.34 0.00 0.00 43.02 41.86 2bnq s PHE 171 CO 0.88 0.01 -0.05 -1.59 -1.46 0.00 0.00 175.22 173.00 2bnq s LYS 172 N -0.76 0.59 -0.11 10.12 -2.85 -1.26 0.15 119.74 125.62 2bnq s LYS 172 Ca 0.03 -1.00 -0.26 0.00 -1.00 0.00 0.00 55.97 53.73 2bnq s LYS 172 Cb -0.06 -0.07 0.06 0.00 -2.06 0.00 0.00 37.83 35.70 2bnq s LYS 172 CO 0.00 -0.03 0.62 -1.54 0.10 0.00 0.00 175.35 174.51 2bnq s SER 173 N -2.29 -0.60 0.26 0.03 1.04 -0.55 -4.94 113.70 106.64 2bnq s SER 173 Ca -0.01 0.83 -0.04 0.00 0.48 0.00 0.00 55.95 57.21 2bnq s SER 173 Cb -0.01 0.77 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 2bnq s SER 173 CO -0.04 -0.46 0.50 0.20 0.98 0.00 0.00 173.24 174.42 2bnq s ASN 174 N -0.71 6.44 -0.01 7.02 0.01 -1.26 -1.04 114.94 125.39 2bnq s ASN 174 Ca -0.08 0.63 -0.28 0.00 -0.71 0.00 0.00 52.86 52.41 2bnq s ASN 174 Cb -0.02 -2.11 0.08 0.00 0.41 0.00 0.00 41.25 39.62 2bnq s ASN 174 CO 0.06 -0.14 0.73 -0.94 -1.51 0.00 0.00 177.10 175.31 2bnq s SER 175 N -3.10 -0.56 0.01 -1.22 1.04 -0.47 -1.29 113.70 108.11 2bnq s SER 175 Ca 0.42 0.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.23 2bnq s SER 175 Cb -0.11 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2bnq s SER 175 CO 0.29 -0.67 0.02 0.00 0.98 0.00 0.00 173.24 173.86 2bnq s ALA 176 N -2.08 -0.02 0.03 5.32 0.00 -0.20 -0.62 121.76 124.18 2bnq s ALA 176 Ca -0.05 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 51.63 2bnq s ALA 176 Cb -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2bnq s ALA 176 CO 0.00 -0.14 -0.22 0.08 0.00 0.00 0.00 175.76 175.48 2bnq s VAL 177 N -1.16 2.47 -0.00 0.00 1.01 -1.26 -1.43 120.40 120.03 2bnq s VAL 177 Ca -0.13 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.65 2bnq s VAL 177 Cb -0.08 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2bnq s VAL 177 CO -0.00 0.40 -0.06 0.00 0.00 0.00 0.00 175.10 175.44 2bnq s ALA 178 N -0.82 0.47 0.18 5.51 0.00 -0.14 -0.71 121.76 126.25 2bnq s ALA 178 Ca 0.13 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 2bnq s ALA 178 Cb -0.10 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.96 2bnq s ALA 178 CO 0.03 0.10 0.55 1.67 0.00 0.00 0.00 175.76 178.11 2bnq s TRP 179 N -0.24 -0.28 -0.13 0.00 -2.14 -0.38 -0.28 118.94 115.49 2bnq s TRP 179 Ca 0.01 -0.03 -0.32 0.00 2.66 0.00 0.00 56.10 58.42 2bnq s TRP 179 Cb -0.03 0.46 0.13 0.00 -3.10 0.00 0.00 33.47 30.93 2bnq s TRP 179 CO -0.00 -0.89 1.10 0.45 -2.66 0.00 0.00 176.95 174.94 2bnq s SER 180 N -2.83 -0.22 0.00 -2.66 0.15 -1.26 -1.29 113.70 105.59 2bnq s SER 180 Ca 0.06 0.03 0.21 0.00 0.70 0.00 0.00 55.95 56.95 2bnq s SER 180 Cb -0.01 0.23 0.36 0.00 -1.71 0.00 0.00 66.02 64.88 2bnq s SER 180 CO -0.07 -0.35 1.32 0.59 1.20 0.00 0.00 173.24 175.93 2bnq n ASN 181 N -0.05 3.24 -4.77 5.45 4.13 -1.26 -4.95 115.26 117.05 2bnq n ASN 181 Ca -0.03 -1.94 -0.39 0.00 1.68 0.00 0.00 54.58 53.89 2bnq n ASN 181 Cb 0.59 -0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.61 2bnq n ASN 181 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bnq s LYS 182 N -1.45 4.29 0.36 3.52 1.02 -1.26 -4.93 119.74 121.29 2bnq s LYS 182 Ca 0.34 1.94 0.16 0.00 0.02 0.00 0.00 55.97 58.43 2bnq s LYS 182 Cb 0.20 -2.92 0.67 0.00 -0.52 0.00 0.00 37.83 35.26 2bnq s LYS 182 CO 0.29 -0.15 1.75 0.66 -0.92 0.00 0.00 175.35 176.98 2bnq h SER 183 N 3.15 0.00 0.31 2.83 4.64 -2.02 -3.00 113.55 119.47 2bnq h SER 183 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2bnq h SER 183 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2bnq h SER 183 CO 0.64 0.42 -0.09 -0.90 -0.87 0.00 0.00 176.83 176.03 2bnq n ASP 184 N -3.72 0.49 -4.72 4.97 5.75 -1.26 -4.85 116.55 113.22 2bnq n ASP 184 Ca -0.01 -0.66 -0.42 0.00 -0.01 0.00 0.00 54.79 53.69 2bnq n ASP 184 Cb 0.49 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.48 2bnq n ASP 184 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bnq s PHE 185 N -2.41 3.69 -0.04 2.11 2.19 -1.14 -4.98 117.98 117.41 2bnq s PHE 185 Ca 0.31 1.69 -0.16 0.00 0.33 0.00 0.00 56.93 59.11 2bnq s PHE 185 Cb 0.20 -3.13 0.03 0.00 -1.31 0.00 0.00 43.02 38.81 2bnq s PHE 185 CO 0.46 -0.07 0.34 0.00 1.83 0.00 0.00 175.22 177.78 2bnq s ALA 186 N 0.66 -0.87 0.58 11.12 0.00 -1.26 -4.99 121.76 127.00 2bnq s ALA 186 Ca 0.51 0.50 0.28 0.00 0.00 0.00 0.00 51.96 53.25 2bnq s ALA 186 Cb -0.23 -0.03 1.51 0.00 0.00 0.00 0.00 23.12 24.37 2bnq s ALA 186 CO 0.29 -0.25 1.95 0.00 0.00 0.00 0.00 175.76 177.75 2bnq h ALA 188 N 1.56 1.52 -0.01 0.00 0.00 -1.97 -3.16 119.26 117.21 2bnq h ALA 188 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bnq h ALA 188 Cb 1.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bnq h ALA 188 CO -0.00 0.35 -0.01 0.27 0.00 0.00 0.00 179.25 179.86 2bnq n ASN 189 N -4.25 1.52 -0.15 0.00 0.23 0.77 -4.76 115.26 108.62 2bnq n ASN 189 Ca -0.01 -1.26 -0.03 0.00 -0.53 0.00 0.00 54.58 52.74 2bnq n ASN 189 Cb 0.29 0.02 0.04 0.00 -2.08 0.00 0.00 39.78 38.05 2bnq n ASN 189 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bnq h ALA 190 N 1.29 0.35 -0.88 -2.53 0.00 -0.79 -2.44 119.26 114.27 2bnq h ALA 190 Ca 0.00 0.18 -0.45 0.00 0.00 0.00 0.00 54.91 54.64 2bnq h ALA 190 Cb 0.27 0.34 -0.27 0.00 0.00 0.00 0.00 17.79 18.14 2bnq h ALA 190 CO 0.00 -0.43 0.51 1.19 0.00 0.00 0.00 179.25 180.52 2bnq n PHE 191 N -5.33 2.70 0.16 0.00 3.01 -1.26 -4.62 117.46 112.13 2bnq n PHE 191 Ca 0.04 -1.79 0.10 0.00 1.01 0.00 0.00 57.45 56.82 2bnq n PHE 191 Cb 0.26 -0.86 0.61 0.00 -0.01 0.00 0.00 39.48 39.48 2bnq n PHE 191 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2bnq h ASN 192 N 1.06 0.09 0.09 4.37 -0.26 -1.75 -1.40 115.58 117.77 2bnq h ASN 192 Ca 0.55 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.29 2bnq h ASN 192 Cb 2.64 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 39.88 2bnq h ASN 192 CO 0.97 0.06 -0.01 -3.20 -1.06 0.00 0.00 177.43 174.19 2bnq n ASN 193 N -4.50 0.33 -4.84 5.81 5.15 -1.26 -4.82 115.26 111.14 2bnq n ASN 193 Ca 0.01 -0.97 -0.23 0.00 -0.60 0.00 0.00 54.58 52.79 2bnq n ASN 193 Cb 0.19 -0.03 -0.04 0.00 -0.53 0.00 0.00 39.78 39.37 2bnq n ASN 193 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2bnq s SER 194 N -2.10 5.62 -0.50 1.20 0.01 -0.53 -4.70 113.70 112.69 2bnq s SER 194 Ca 0.42 -0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.31 2bnq s SER 194 Cb 0.21 -1.46 0.07 0.00 0.21 0.00 0.00 66.02 65.05 2bnq s SER 194 CO 0.38 -0.02 0.57 -0.51 0.41 0.00 0.00 173.24 174.08 2bnq s ILE 195 N -2.04 4.96 0.19 1.44 1.10 -1.26 -5.02 121.20 120.57 2bnq s ILE 195 Ca 0.33 -0.68 0.06 0.00 -0.51 0.00 0.00 60.65 59.85 2bnq s ILE 195 Cb -0.08 -4.27 -0.04 0.00 0.15 0.00 0.00 42.46 38.22 2bnq s ILE 195 CO 0.25 -0.77 0.11 -0.63 -2.11 0.00 0.00 174.94 171.79 2bnq s ILE 196 N 2.38 4.27 0.31 2.00 1.01 -1.26 -4.50 121.20 125.40 2bnq s ILE 196 Ca 0.12 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2bnq s ILE 196 Cb -0.21 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.93 2bnq s ILE 196 CO 0.10 -0.17 1.26 -2.65 0.00 0.00 0.00 174.94 173.48 2bnq n PRO 197 N -0.49 1.96 -0.27 2.79 -0.02 -1.26 -4.89 135.00 132.82 2bnq n PRO 197 Ca -0.08 0.69 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 2bnq n PRO 197 Cb 0.56 -2.25 0.24 0.00 -0.02 0.00 0.00 33.50 32.03 2bnq n PRO 197 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2bnq h GLU 198 N 2.76 1.00 -0.92 -0.52 4.11 -2.02 -2.38 114.58 116.61 2bnq h GLU 198 Ca -0.45 -0.06 -0.26 0.00 0.07 0.00 0.00 59.36 58.67 2bnq h GLU 198 Cb 1.29 -0.22 -0.15 0.00 0.50 0.00 0.00 28.75 30.16 2bnq h GLU 198 CO 0.65 0.66 0.33 -0.25 0.07 0.00 0.00 179.01 180.46 2bnq n ASP 199 N -4.46 3.71 -4.72 3.06 8.00 -1.26 -4.96 116.55 115.92 2bnq n ASP 199 Ca 0.12 -2.97 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 2bnq n ASP 199 Cb 0.13 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.50 2bnq n ASP 199 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bnq s THR 200 N -2.23 2.30 -0.17 -3.53 2.01 -0.90 -4.86 115.64 108.27 2bnq s THR 200 Ca 0.38 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 2bnq s THR 200 Cb 0.31 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2bnq s THR 200 CO 0.08 0.02 1.25 0.12 -0.69 0.00 0.00 174.62 175.40 2bnq s PHE 201 N 0.93 2.89 -0.68 4.92 5.36 0.13 -4.92 117.98 126.61 2bnq s PHE 201 Ca 0.70 1.04 0.04 0.00 -0.96 0.00 0.00 56.93 57.76 2bnq s PHE 201 Cb -0.47 -3.49 0.16 0.00 -0.34 0.00 0.00 43.02 38.89 2bnq s PHE 201 CO 0.34 -1.61 0.47 -0.06 -1.46 0.00 0.00 175.22 172.90 2bnq s PHE 202 N 3.43 3.51 0.43 10.12 0.08 -1.26 -1.46 117.98 132.83 2bnq s PHE 202 Ca 0.54 -3.26 -0.25 0.00 0.12 0.00 0.00 56.93 54.08 2bnq s PHE 202 Cb -0.21 -2.80 -0.08 0.00 -0.57 0.00 0.00 43.02 39.35 2bnq s PHE 202 CO 0.14 -0.62 1.33 -1.25 -0.10 0.00 0.00 175.22 174.73 2bnq s PRO 203 N -1.14 3.82 0.00 0.24 0.04 -1.26 -5.08 135.00 131.62 2bnq s PRO 203 Ca 0.23 2.21 0.14 0.00 0.04 0.00 0.00 61.00 63.62 2bnq s PRO 203 Cb -0.10 -2.67 0.11 0.00 0.04 0.00 0.00 34.50 31.87 2bnq s PRO 203 CO -0.12 -0.63 0.94 -1.13 0.04 0.00 0.00 177.00 176.10