#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnu s GLU 3 N 0.00 0.55 -0.17 3.69 2.02 -1.26 -4.98 118.70 118.56 2bnu s GLU 3 Ca 0.00 -0.04 -0.03 0.00 0.02 0.00 0.00 54.97 54.92 2bnu s GLU 3 Cb 0.00 -0.62 -0.02 0.00 0.10 0.00 0.00 34.13 33.59 2bnu s GLU 3 CO 0.00 -0.07 -0.06 0.08 0.02 0.00 0.00 175.26 175.23 2bnu s VAL 4 N 0.79 3.58 -0.10 2.63 1.01 -1.26 -1.95 120.40 125.10 2bnu s VAL 4 Ca -0.09 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2bnu s VAL 4 Cb -0.12 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2bnu s VAL 4 CO -0.01 0.48 -0.23 -0.89 0.00 0.00 0.00 175.10 174.46 2bnu s THR 5 N 0.64 1.97 -0.11 3.92 2.01 0.11 -4.50 115.64 119.68 2bnu s THR 5 Ca -0.03 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.04 2bnu s THR 5 Cb -0.15 -1.71 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 2bnu s THR 5 CO 0.02 0.54 -0.21 -1.10 -0.69 0.00 0.00 174.62 173.18 2bnu s GLN 6 N 0.46 3.12 0.00 4.92 -0.21 -1.26 -0.14 119.66 126.55 2bnu s GLN 6 Ca -0.16 -0.83 -0.01 0.00 0.02 0.00 0.00 55.36 54.37 2bnu s GLN 6 Cb -0.17 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 31.45 2bnu s GLN 6 CO 0.07 0.20 0.02 0.96 -2.12 0.00 0.00 175.29 174.41 2bnu s ILE 7 N 0.32 0.06 0.73 1.08 -4.36 -1.05 -4.17 121.20 113.81 2bnu s ILE 7 Ca -0.17 -0.46 -0.12 0.00 -0.26 0.00 0.00 60.65 59.65 2bnu s ILE 7 Cb -0.17 -0.18 0.03 0.00 1.25 0.00 0.00 42.46 43.38 2bnu s ILE 7 CO 0.08 -0.25 1.08 -2.84 0.24 0.00 0.00 174.94 173.25 2bnu s PRO 8 N -0.76 2.57 0.28 0.37 0.02 -1.26 -1.90 135.00 134.32 2bnu s PRO 8 Ca -0.08 1.16 0.09 0.00 0.02 0.00 0.00 61.00 62.18 2bnu s PRO 8 Cb -0.05 -1.94 0.41 0.00 0.02 0.00 0.00 34.50 32.94 2bnu s PRO 8 CO -0.00 -1.40 1.65 0.00 -0.33 0.00 0.00 177.00 176.91 2bnu h ALA 9 N -0.75 1.04 -3.52 -1.55 0.00 -1.84 -3.41 119.26 109.22 2bnu h ALA 9 Ca -0.44 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 53.76 2bnu h ALA 9 Cb 1.23 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.66 2bnu h ALA 9 CO 0.53 0.69 -0.62 0.00 0.00 0.00 0.00 179.25 179.85 2bnu s ALA 10 N -3.81 -0.20 -0.03 0.00 0.00 -1.26 -0.98 121.76 115.47 2bnu s ALA 10 Ca -0.03 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2bnu s ALA 10 Cb 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.13 2bnu s ALA 10 CO 0.77 -0.04 -0.02 -1.17 0.00 0.00 0.00 175.76 175.30 2bnu s LEU 11 N 0.09 1.27 -0.11 0.00 2.96 0.19 -4.92 118.68 118.16 2bnu s LEU 11 Ca -0.00 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2bnu s LEU 11 Cb -0.01 -0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.40 2bnu s LEU 11 CO -0.00 -0.08 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.20 2bnu s SER 12 N 0.91 2.78 0.05 3.68 0.15 -1.26 -1.22 113.70 118.79 2bnu s SER 12 Ca -0.10 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 55.92 2bnu s SER 12 Cb -0.13 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 2bnu s SER 12 CO -0.01 0.09 0.26 0.68 1.20 0.00 0.00 173.24 175.45 2bnu s VAL 13 N 0.67 0.10 0.34 4.45 -7.23 -0.76 -5.01 120.40 112.96 2bnu s VAL 13 Ca -0.12 -0.81 -0.26 0.00 -1.81 0.00 0.00 61.98 58.98 2bnu s VAL 13 Cb -0.16 -1.00 -0.10 0.00 0.56 0.00 0.00 36.38 35.68 2bnu s VAL 13 CO 0.03 -0.45 0.98 -2.84 -0.31 0.00 0.00 175.10 172.50 2bnu s PRO 14 N -2.82 4.49 0.69 4.82 0.02 -1.26 -0.59 135.00 140.35 2bnu s PRO 14 Ca -0.03 1.40 -0.17 0.00 0.02 0.00 0.00 61.00 62.22 2bnu s PRO 14 Cb 0.00 -2.76 0.01 0.00 0.02 0.00 0.00 34.50 31.77 2bnu s PRO 14 CO -0.05 0.18 1.23 -0.85 -0.33 0.00 0.00 177.00 177.18 2bnu n GLU 15 N 0.44 0.85 0.00 5.54 0.28 0.26 -2.97 120.64 125.05 2bnu n GLU 15 Ca 0.02 0.35 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 2bnu n GLU 15 Cb 0.50 -2.47 0.00 0.00 1.43 0.00 0.00 31.44 30.90 2bnu n GLU 15 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2bnu n GLY 16 N 0.88 2.89 3.77 -1.84 0.00 0.61 -4.91 105.19 106.58 2bnu n GLY 16 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 2bnu n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnu s GLU 17 N -0.15 4.27 0.46 1.61 2.02 -1.16 -4.16 118.70 121.60 2bnu s GLU 17 Ca 0.00 1.63 -0.21 0.00 0.02 0.00 0.00 54.97 56.41 2bnu s GLU 17 Cb 0.00 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.42 2bnu s GLU 17 CO 0.00 -0.08 1.02 -0.80 0.02 0.00 0.00 175.26 175.43 2bnu s ASN 18 N -1.34 6.51 0.16 -0.19 0.02 -1.26 -1.36 114.94 117.48 2bnu s ASN 18 Ca 0.54 1.90 0.09 0.00 -1.02 0.00 0.00 52.86 54.37 2bnu s ASN 18 Cb -0.26 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.41 2bnu s ASN 18 CO 0.32 -0.67 -0.21 -0.76 0.02 0.00 0.00 177.10 175.81 2bnu s LEU 19 N -3.33 2.40 -0.09 0.60 1.43 0.12 -4.94 118.68 114.88 2bnu s LEU 19 Ca 0.65 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2bnu s LEU 19 Cb -0.16 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.14 2bnu s LEU 19 CO 0.19 0.04 -0.08 -0.69 0.23 0.00 0.00 176.35 176.04 2bnu s VAL 20 N -1.72 0.98 -0.08 -1.59 1.01 -1.26 -1.58 120.40 116.16 2bnu s VAL 20 Ca 0.15 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2bnu s VAL 20 Cb -0.07 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 2bnu s VAL 20 CO 0.07 0.35 -0.22 -0.76 0.00 0.00 0.00 175.10 174.53 2bnu s LEU 21 N 1.40 2.02 0.04 3.92 1.02 0.14 -4.80 118.68 122.43 2bnu s LEU 21 Ca -0.01 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.67 2bnu s LEU 21 Cb -0.13 -1.30 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 2bnu s LEU 21 CO -0.04 0.16 -0.02 0.20 0.02 0.00 0.00 176.35 176.66 2bnu s ASN 22 N 0.25 4.92 -0.05 2.29 -0.87 -0.80 -0.59 114.94 120.09 2bnu s ASN 22 Ca -0.14 -0.13 0.01 0.00 -1.57 0.00 0.00 52.86 51.02 2bnu s ASN 22 Cb -0.16 -1.19 0.02 0.00 -0.02 0.00 0.00 41.25 39.90 2bnu s ASN 22 CO 0.07 0.23 -0.05 0.00 -2.57 0.00 0.00 177.10 174.78 2bnu s SER 24 N 1.04 2.16 0.00 0.00 0.01 0.81 -0.82 113.70 116.90 2bnu s SER 24 Ca -0.09 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2bnu s SER 24 Cb -0.14 -0.15 -0.00 0.00 0.21 0.00 0.00 66.02 65.94 2bnu s SER 24 CO -0.00 0.09 -0.01 0.72 0.41 0.00 0.00 173.24 174.44 2bnu s PHE 25 N -0.91 0.10 -0.00 2.43 -0.12 -0.62 0.04 117.98 118.90 2bnu s PHE 25 Ca 0.05 -0.04 0.15 0.00 -0.05 0.00 0.00 56.93 57.04 2bnu s PHE 25 Cb -0.09 -0.06 0.26 0.00 -0.63 0.00 0.00 43.02 42.50 2bnu s PHE 25 CO 0.02 -0.01 1.53 1.79 -0.05 0.00 0.00 175.22 178.50 2bnu h THR 26 N 5.10 0.97 -3.62 -4.49 1.35 -1.70 -3.41 112.91 107.11 2bnu h THR 26 Ca -0.25 -2.10 -0.69 0.00 -0.55 0.00 0.00 66.41 62.82 2bnu h THR 26 Cb 1.21 2.29 -0.23 0.00 -1.73 0.00 0.00 68.15 69.68 2bnu h THR 26 CO 0.50 0.50 -0.53 -0.62 -0.25 0.00 0.00 175.52 175.13 2bnu s ASP 27 N -6.48 5.69 0.51 5.36 -1.08 -1.26 -4.81 116.67 114.60 2bnu s ASP 27 Ca 0.02 -0.76 0.30 0.00 -0.52 0.00 0.00 52.55 51.60 2bnu s ASP 27 Cb 0.09 -2.03 1.10 0.00 -1.46 0.00 0.00 42.92 40.62 2bnu s ASP 27 CO 0.73 -0.30 1.89 0.28 0.52 0.00 0.00 175.17 178.29 2bnu h SER 28 N 8.41 0.00 -0.61 -0.34 0.02 -1.82 -3.40 113.55 115.80 2bnu h SER 28 Ca -0.29 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.17 2bnu h SER 28 Cb 1.13 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 2bnu h SER 28 CO 0.65 0.03 1.64 0.00 -1.14 0.00 0.00 176.83 178.00 2bnu n ALA 29 N -2.11 2.68 -2.40 3.77 0.00 -1.26 -4.86 120.51 116.32 2bnu n ALA 29 Ca 0.01 -3.40 -0.29 0.00 0.00 0.00 0.00 53.44 49.76 2bnu n ALA 29 Cb 0.37 -3.54 -0.13 0.00 0.00 0.00 0.00 19.45 16.15 2bnu n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bnu s ILE 30 N 7.81 2.22 0.04 0.00 -4.36 -1.26 -3.41 121.20 122.24 2bnu s ILE 30 Ca 0.61 -1.76 0.09 0.00 -0.26 0.00 0.00 60.65 59.34 2bnu s ILE 30 Cb 0.02 -1.97 -0.22 0.00 1.25 0.00 0.00 42.46 41.54 2bnu s ILE 30 CO 0.11 0.07 0.99 0.22 0.24 0.00 0.00 174.94 176.56 2bnu h TYR 31 N 3.86 0.03 -1.47 1.37 5.03 0.16 -3.43 116.97 122.52 2bnu h TYR 31 Ca -0.50 -0.02 0.33 0.00 2.58 0.00 0.00 58.73 61.12 2bnu h TYR 31 Cb 1.17 -0.00 -0.12 0.00 1.55 0.00 0.00 36.73 39.33 2bnu h TYR 31 CO 0.61 1.03 0.85 0.54 -1.32 0.00 0.00 178.16 179.86 2bnu s ASN 32 N -6.46 -0.05 -0.02 -2.11 4.22 -1.24 -2.23 114.94 107.05 2bnu s ASN 32 Ca -0.02 -0.13 0.02 0.00 -2.14 0.00 0.00 52.86 50.59 2bnu s ASN 32 Cb 0.09 0.15 0.00 0.00 1.28 0.00 0.00 41.25 42.77 2bnu s ASN 32 CO 0.82 -0.28 -0.08 -0.22 -2.04 0.00 0.00 177.10 175.31 2bnu s LEU 33 N -3.06 1.77 -0.02 3.54 0.20 0.34 -2.21 118.68 119.24 2bnu s LEU 33 Ca 0.16 -0.16 0.03 0.00 0.69 0.00 0.00 54.13 54.85 2bnu s LEU 33 Cb 0.05 -0.48 -0.00 0.00 -0.43 0.00 0.00 46.19 45.32 2bnu s LEU 33 CO -0.04 0.05 -0.12 -1.58 -0.29 0.00 0.00 176.35 174.37 2bnu s GLN 34 N 0.22 1.18 -0.10 1.98 0.74 0.22 -0.09 119.66 123.80 2bnu s GLN 34 Ca -0.03 -0.43 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 2bnu s GLN 34 Cb -0.08 -1.09 -0.03 0.00 1.10 0.00 0.00 33.01 32.91 2bnu s GLN 34 CO 0.00 0.21 -0.03 -1.58 -0.55 0.00 0.00 175.29 173.34 2bnu s TRP 35 N -0.04 3.06 0.19 1.67 0.52 -0.32 -1.07 118.94 122.97 2bnu s TRP 35 Ca -0.00 0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.19 2bnu s TRP 35 Cb -0.08 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.37 2bnu s TRP 35 CO 0.00 0.28 -0.10 -0.06 0.02 0.00 0.00 176.95 177.10 2bnu s PHE 36 N -0.49 1.55 0.00 -1.98 0.40 0.53 -0.65 117.98 117.34 2bnu s PHE 36 Ca 0.08 -0.71 0.08 0.00 -0.60 0.00 0.00 56.93 55.79 2bnu s PHE 36 Cb -0.12 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 2bnu s PHE 36 CO 0.02 0.19 -0.26 0.50 0.70 0.00 0.00 175.22 176.37 2bnu s ARG 37 N -3.72 1.98 -0.05 0.44 3.52 0.30 -0.89 118.95 120.52 2bnu s ARG 37 Ca 0.22 -0.99 -0.01 0.00 -0.13 0.00 0.00 55.73 54.82 2bnu s ARG 37 Cb 0.02 -2.00 0.03 0.00 -1.56 0.00 0.00 34.95 31.43 2bnu s ARG 37 CO 0.05 0.54 0.01 -1.14 -0.81 0.00 0.00 175.30 173.95 2bnu s GLN 38 N -0.84 0.44 0.23 5.12 0.74 0.46 -0.64 119.66 125.17 2bnu s GLN 38 Ca 0.11 0.13 -0.09 0.00 0.05 0.00 0.00 55.36 55.55 2bnu s GLN 38 Cb -0.10 -0.77 -0.07 0.00 1.10 0.00 0.00 33.01 33.17 2bnu s GLN 38 CO 0.00 -0.25 0.54 -0.51 -0.55 0.00 0.00 175.29 174.53 2bnu s ASP 39 N 1.68 6.61 -0.19 6.67 1.01 -1.26 -1.65 116.67 129.55 2bnu s ASP 39 Ca -0.00 0.90 -0.38 0.00 0.71 0.00 0.00 52.55 53.77 2bnu s ASP 39 Cb -0.13 -2.22 -0.15 0.00 1.01 0.00 0.00 42.92 41.44 2bnu s ASP 39 CO -0.03 -0.07 1.72 -2.65 0.21 0.00 0.00 175.17 174.35 2bnu n PRO 40 N -0.15 1.38 -0.99 8.23 -0.02 -1.26 -1.02 135.00 141.17 2bnu n PRO 40 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2bnu n PRO 40 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2bnu n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bnu n GLY 41 N 4.03 0.42 0.00 -1.23 0.00 -1.26 -5.01 105.19 102.15 2bnu n GLY 41 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2bnu n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bnu n LYS 42 N -2.16 2.22 -0.60 1.61 4.76 -0.19 -5.16 118.16 118.63 2bnu n LYS 42 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2bnu n LYS 42 Cb 0.10 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 2bnu n LYS 42 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bnu n GLY 43 N 5.00 1.31 3.55 0.72 0.00 -1.26 -4.75 105.19 109.76 2bnu n GLY 43 Ca 0.00 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 2bnu n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnu s LEU 44 N 0.00 3.79 -0.23 0.99 1.02 -1.26 -4.10 118.68 118.89 2bnu s LEU 44 Ca 0.00 -0.06 -0.10 0.00 0.02 0.00 0.00 54.13 54.00 2bnu s LEU 44 Cb 0.00 -2.03 -0.05 0.00 0.02 0.00 0.00 46.19 44.14 2bnu s LEU 44 CO 0.00 -0.00 0.13 -0.89 0.02 0.00 0.00 176.35 175.61 2bnu s THR 45 N 1.45 5.13 0.18 5.49 2.01 0.19 -4.92 115.64 125.17 2bnu s THR 45 Ca 0.06 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 2bnu s THR 45 Cb -0.15 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.90 2bnu s THR 45 CO 0.06 0.37 1.27 -0.55 -0.69 0.00 0.00 174.62 175.08 2bnu s SER 46 N 0.99 6.97 -0.17 3.53 0.15 -1.26 -0.54 113.70 123.35 2bnu s SER 46 Ca 0.06 2.32 -0.10 0.00 0.70 0.00 0.00 55.95 58.93 2bnu s SER 46 Cb -0.13 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.49 2bnu s SER 46 CO 0.04 -0.48 -0.25 0.18 1.20 0.00 0.00 173.24 173.93 2bnu n LEU 47 N 2.71 1.41 -3.78 3.45 4.77 0.17 -4.90 117.00 120.83 2bnu n LEU 47 Ca 0.06 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2bnu n LEU 47 Cb 0.44 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2bnu n LEU 47 CO 0.57 0.24 -0.02 -0.76 -1.33 0.00 0.00 177.39 176.10 2bnu s LEU 48 N -7.15 0.99 -0.10 2.23 1.43 -1.16 -4.93 118.68 109.99 2bnu s LEU 48 Ca -0.26 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2bnu s LEU 48 Cb 0.09 1.14 0.02 0.00 0.03 0.00 0.00 46.19 47.47 2bnu s LEU 48 CO 0.33 -0.42 -0.08 -0.22 0.23 0.00 0.00 176.35 176.20 2bnu s LEU 49 N -1.27 1.21 -0.22 1.79 2.96 -1.26 -1.17 118.68 120.72 2bnu s LEU 49 Ca -0.13 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2bnu s LEU 49 Cb -0.06 -0.80 0.01 0.00 0.50 0.00 0.00 46.19 45.85 2bnu s LEU 49 CO 0.04 -0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.25 2bnu s ILE 50 N 1.54 2.83 0.53 6.68 1.01 0.88 -4.94 121.20 129.73 2bnu s ILE 50 Ca 0.01 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.68 2bnu s ILE 50 Cb -0.13 -2.33 -0.07 0.00 0.01 0.00 0.00 42.46 39.93 2bnu s ILE 50 CO -0.06 0.35 0.99 -1.10 0.00 0.00 0.00 174.94 175.12 2bnu s GLN 51 N 1.36 3.89 0.57 2.79 -0.21 -1.26 -0.50 119.66 126.30 2bnu s GLN 51 Ca 0.03 0.91 0.29 0.00 0.02 0.00 0.00 55.36 56.62 2bnu s GLN 51 Cb -0.15 -2.13 1.46 0.00 1.00 0.00 0.00 33.01 33.19 2bnu s GLN 51 CO -0.06 -0.32 1.88 0.66 -2.12 0.00 0.00 175.29 175.33 2bnu h SER 52 N 0.71 0.00 -0.22 5.90 4.64 -1.72 0.27 113.55 123.14 2bnu h SER 52 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2bnu h SER 52 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2bnu h SER 52 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 2bnu n SER 53 N -3.87 1.64 -4.60 4.97 3.41 -1.26 -4.89 113.62 109.02 2bnu n SER 53 Ca 0.11 -1.81 -0.23 0.00 -0.26 0.00 0.00 58.87 56.68 2bnu n SER 53 Cb 0.76 -0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 2bnu n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bnu s GLN 54 N -1.71 2.13 0.00 4.33 -0.21 0.96 -5.03 119.66 120.13 2bnu s GLN 54 Ca 0.28 -1.49 0.00 0.00 0.02 0.00 0.00 55.36 54.17 2bnu s GLN 54 Cb 0.15 -2.07 0.00 0.00 1.00 0.00 0.00 33.01 32.09 2bnu s GLN 54 CO 0.22 0.36 0.00 -2.13 -2.12 0.00 0.00 175.29 171.62 2bnu n ARG 55 N -0.76 4.26 -3.66 2.91 0.00 -1.26 -4.75 116.66 113.40 2bnu n ARG 55 Ca -0.06 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.64 2bnu n ARG 55 Cb 0.59 -0.54 -0.08 0.00 0.00 0.00 0.00 32.46 32.43 2bnu n ARG 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2bnu s GLU 56 N -1.02 0.76 -0.06 -0.14 2.56 -1.26 -1.83 118.70 117.71 2bnu s GLU 56 Ca 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 54.97 55.36 2bnu s GLU 56 Cb 0.00 0.36 0.02 0.00 2.00 0.00 0.00 34.13 36.51 2bnu s GLU 56 CO 0.00 -0.16 0.16 -1.14 -0.56 0.00 0.00 175.26 173.55 2bnu s GLN 57 N -0.43 0.17 0.16 4.30 2.00 -0.37 -5.00 119.66 120.49 2bnu s GLN 57 Ca -0.06 0.24 0.05 0.00 -2.00 0.00 0.00 55.36 53.59 2bnu s GLN 57 Cb -0.03 0.05 -0.04 0.00 0.80 0.00 0.00 33.01 33.79 2bnu s GLN 57 CO 0.04 -0.04 -0.10 0.99 -0.50 0.00 0.00 175.29 175.68 2bnu s THR 58 N 0.23 1.24 -0.32 -0.34 2.01 -1.26 -0.46 115.64 116.75 2bnu s THR 58 Ca -0.01 -2.08 -0.04 0.00 0.31 0.00 0.00 61.69 59.86 2bnu s THR 58 Cb -0.02 -1.90 0.19 0.00 0.01 0.00 0.00 72.50 70.77 2bnu s THR 58 CO -0.01 -0.71 0.89 -0.94 -0.69 0.00 0.00 174.62 173.17 2bnu s SER 59 N -3.20 -0.82 1.39 3.53 1.04 0.85 -4.97 113.70 111.52 2bnu s SER 59 Ca 0.18 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2bnu s SER 59 Cb 0.02 1.35 0.00 0.00 0.10 0.00 0.00 66.02 67.50 2bnu s SER 59 CO 0.02 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2bnu n GLY 60 N 4.80 2.63 0.00 7.32 0.00 -1.26 -1.48 105.19 117.20 2bnu n GLY 60 Ca 0.08 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.87 2bnu n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnu n ARG 61 N 13.51 0.53 -3.79 1.61 1.74 -1.26 -4.75 116.66 124.25 2bnu n ARG 61 Ca 0.00 0.04 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 2bnu n ARG 61 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2bnu n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bnu s LEU 62 N -2.29 4.36 -0.20 0.55 1.43 -0.55 -1.24 118.68 120.74 2bnu s LEU 62 Ca 0.29 0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.74 2bnu s LEU 62 Cb 0.16 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.29 2bnu s LEU 62 CO 0.31 0.34 0.50 0.54 0.23 0.00 0.00 176.35 178.27 2bnu s ASN 63 N -0.70 -0.62 0.03 2.29 4.22 -0.84 -0.11 114.94 119.22 2bnu s ASN 63 Ca 0.15 1.07 0.06 0.00 -2.14 0.00 0.00 52.86 52.00 2bnu s ASN 63 Cb -0.12 0.99 -0.02 0.00 1.28 0.00 0.00 41.25 43.37 2bnu s ASN 63 CO 0.04 -0.20 -0.17 0.00 -2.04 0.00 0.00 177.10 174.73 2bnu s ALA 64 N 1.11 1.47 0.29 3.54 0.00 0.40 -0.11 121.76 128.47 2bnu s ALA 64 Ca -0.07 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.07 2bnu s ALA 64 Cb -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2bnu s ALA 64 CO -0.10 0.32 0.02 -1.54 0.00 0.00 0.00 175.76 174.45 2bnu s SER 65 N -1.03 4.47 -0.03 0.00 1.04 -0.02 -1.24 113.70 116.89 2bnu s SER 65 Ca 0.05 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.74 2bnu s SER 65 Cb -0.08 -0.75 0.03 0.00 0.10 0.00 0.00 66.02 65.32 2bnu s SER 65 CO 0.01 -0.09 0.05 -0.22 0.98 0.00 0.00 173.24 173.97 2bnu s LEU 66 N -3.71 1.03 -0.50 2.42 2.96 -0.76 -2.19 118.68 117.93 2bnu s LEU 66 Ca 0.33 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2bnu s LEU 66 Cb -0.05 -0.01 0.15 0.00 0.50 0.00 0.00 46.19 46.79 2bnu s LEU 66 CO 0.20 -0.13 0.34 -0.62 -1.32 0.00 0.00 176.35 174.81 2bnu s ASP 67 N 1.09 3.30 0.22 3.68 -1.08 0.60 -4.67 116.67 119.81 2bnu s ASP 67 Ca -0.09 -3.07 -0.08 0.00 -0.52 0.00 0.00 52.55 48.79 2bnu s ASP 67 Cb -0.13 -1.00 0.34 0.00 -1.46 0.00 0.00 42.92 40.66 2bnu s ASP 67 CO -0.03 -0.19 1.73 0.50 0.52 0.00 0.00 175.17 177.69 2bnu h LYS 68 N 6.07 0.35 -0.68 4.34 3.64 -1.92 -0.80 116.57 127.57 2bnu h LYS 68 Ca 0.11 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 2bnu h LYS 68 Cb 0.88 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 2bnu h LYS 68 CO 0.51 0.23 0.34 0.66 -2.27 0.00 0.00 179.45 178.92 2bnu h SER 69 N 0.36 0.46 0.98 4.20 4.64 -1.94 -1.54 113.55 120.71 2bnu h SER 69 Ca 0.34 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2bnu h SER 69 Cb 0.48 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2bnu h SER 69 CO -0.37 0.27 -0.28 -1.20 -0.87 0.00 0.00 176.83 174.38 2bnu n SER 70 N -4.86 0.51 -2.05 4.97 7.64 -0.97 -4.94 113.62 113.93 2bnu n SER 70 Ca 0.10 0.26 -0.08 0.00 1.01 0.00 0.00 58.87 60.16 2bnu n SER 70 Cb 0.24 -0.24 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2bnu n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bnu n GLY 71 N 1.40 0.11 3.00 0.23 0.00 -0.36 -4.88 105.19 104.70 2bnu n GLY 71 Ca 0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2bnu n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bnu s ARG 72 N -4.71 0.32 -0.11 1.61 1.81 -0.87 -1.59 118.95 115.41 2bnu s ARG 72 Ca 0.03 -0.50 -0.08 0.00 -1.72 0.00 0.00 55.73 53.46 2bnu s ARG 72 Cb -0.01 0.12 0.04 0.00 -0.45 0.00 0.00 34.95 34.64 2bnu s ARG 72 CO 0.32 -0.06 0.27 0.45 -0.68 0.00 0.00 175.30 175.60 2bnu s SER 73 N -1.30 -0.29 -0.09 0.23 0.15 0.00 -0.29 113.70 112.12 2bnu s SER 73 Ca -0.14 0.55 0.04 0.00 0.70 0.00 0.00 55.95 57.10 2bnu s SER 73 Cb -0.09 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 2bnu s SER 73 CO -0.00 -0.13 -0.21 -0.89 1.20 0.00 0.00 173.24 173.21 2bnu s THR 74 N 0.68 1.81 -0.23 6.45 2.01 -0.93 -0.62 115.64 124.80 2bnu s THR 74 Ca -0.04 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2bnu s THR 74 Cb -0.06 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 2bnu s THR 74 CO -0.04 0.50 0.09 -0.22 -0.69 0.00 0.00 174.62 174.26 2bnu s LEU 75 N 0.37 3.66 -0.14 4.42 2.96 0.24 -0.84 118.68 129.35 2bnu s LEU 75 Ca -0.16 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2bnu s LEU 75 Cb -0.17 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2bnu s LEU 75 CO 0.07 0.03 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.79 2bnu s TYR 76 N 1.23 3.05 -0.23 5.38 2.02 0.85 -0.68 117.35 128.97 2bnu s TYR 76 Ca 0.05 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 2bnu s TYR 76 Cb -0.14 -1.93 0.05 0.00 -0.40 0.00 0.00 41.96 39.53 2bnu s TYR 76 CO 0.04 0.06 -0.13 0.42 -1.57 0.00 0.00 175.55 174.37 2bnu s ILE 77 N 0.14 2.09 0.32 2.71 1.01 -0.61 -1.99 121.20 124.86 2bnu s ILE 77 Ca -0.01 -1.40 -0.25 0.00 0.00 0.00 0.00 60.65 59.00 2bnu s ILE 77 Cb -0.13 -2.12 -0.10 0.00 0.01 0.00 0.00 42.46 40.12 2bnu s ILE 77 CO 0.03 0.14 0.91 0.00 0.00 0.00 0.00 174.94 176.02 2bnu s ALA 78 N 1.18 3.22 -0.78 9.38 0.00 -0.37 0.12 121.76 134.51 2bnu s ALA 78 Ca -0.05 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 2bnu s ALA 78 Cb -0.18 -3.13 0.02 0.00 0.00 0.00 0.00 23.12 19.83 2bnu s ALA 78 CO -0.07 0.19 0.49 0.00 0.00 0.00 0.00 175.76 176.37 2bnu n ALA 79 N 0.46 -2.34 -1.55 0.00 0.00 -1.26 -4.78 120.51 111.04 2bnu n ALA 79 Ca 0.02 -0.33 -0.39 0.00 0.00 0.00 0.00 53.44 52.74 2bnu n ALA 79 Cb 0.51 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.82 2bnu n ALA 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bnu n SER 80 N -1.72 0.05 -4.27 0.00 3.41 -0.46 -4.54 113.62 106.10 2bnu n SER 80 Ca -0.18 0.82 -0.19 0.00 -0.26 0.00 0.00 58.87 59.06 2bnu n SER 80 Cb 0.49 -1.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.05 2bnu n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bnu s GLN 81 N -2.32 1.09 0.44 4.33 -1.52 -1.26 -0.29 119.66 120.14 2bnu s GLN 81 Ca 0.71 -1.31 0.21 0.00 -1.95 0.00 0.00 55.36 53.01 2bnu s GLN 81 Cb -0.46 -0.99 1.17 0.00 -0.22 0.00 0.00 33.01 32.52 2bnu s GLN 81 CO 0.52 0.19 1.85 -1.35 -0.25 0.00 0.00 175.29 176.25 2bnu h PRO 82 N 3.36 0.31 0.00 2.91 0.11 -1.88 0.21 132.00 137.02 2bnu h PRO 82 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2bnu h PRO 82 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bnu h PRO 82 CO 0.52 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 2bnu n GLY 83 N -1.55 -0.87 0.01 -0.55 0.00 -1.26 -1.76 105.19 99.21 2bnu n GLY 83 Ca 0.20 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.31 2bnu n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bnu n ASP 84 N -1.49 0.17 -4.68 1.61 8.00 0.73 -4.85 116.55 116.05 2bnu n ASP 84 Ca 0.03 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.49 2bnu n ASP 84 Cb 0.13 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 2bnu n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bnu s SER 85 N -3.17 6.43 0.00 -2.24 0.01 -0.72 -4.87 113.70 109.14 2bnu s SER 85 Ca 0.13 2.72 0.00 0.00 1.31 0.00 0.00 55.95 60.11 2bnu s SER 85 Cb 0.18 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2bnu s SER 85 CO 0.57 -1.03 0.00 0.00 0.41 0.00 0.00 173.24 173.18 2bnu n ALA 86 N 6.63 0.00 -2.80 1.44 0.00 -0.76 -4.98 120.51 120.04 2bnu n ALA 86 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 2bnu n ALA 86 Cb 0.40 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 2bnu n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bnu s THR 87 N -2.31 4.92 -0.22 0.00 2.01 -0.66 -0.78 115.64 118.61 2bnu s THR 87 Ca 0.00 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 2bnu s THR 87 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2bnu s THR 87 CO 0.00 0.50 0.02 -0.31 -0.69 0.00 0.00 174.62 174.15 2bnu s TYR 88 N -0.04 3.06 0.01 4.92 1.51 0.16 -0.40 117.35 126.56 2bnu s TYR 88 Ca 0.07 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 2bnu s TYR 88 Cb -0.12 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.56 2bnu s TYR 88 CO 0.01 -0.27 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.58 2bnu s LEU 89 N 1.18 3.07 -0.05 -1.29 1.43 -0.07 -1.25 118.68 121.70 2bnu s LEU 89 Ca 0.03 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2bnu s LEU 89 Cb -0.14 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2bnu s LEU 89 CO 0.02 0.28 -0.25 0.00 0.23 0.00 0.00 176.35 176.63 2bnu s ALA 91 N -0.30 0.13 0.07 0.00 0.00 -0.23 -1.12 121.76 120.31 2bnu s ALA 91 Ca 0.01 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.52 2bnu s ALA 91 Cb -0.13 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2bnu s ALA 91 CO 0.02 -0.12 -0.14 0.14 0.00 0.00 0.00 175.76 175.66 2bnu s VAL 92 N -1.18 1.11 -0.01 0.00 -7.23 -0.84 -0.61 120.40 111.64 2bnu s VAL 92 Ca -0.12 -1.25 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 2bnu s VAL 92 Cb -0.08 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 2bnu s VAL 92 CO -0.01 -0.18 -0.25 -0.13 -0.31 0.00 0.00 175.10 174.22 2bnu s ARG 93 N -1.62 2.03 0.86 4.82 0.52 -0.94 -1.17 118.95 123.45 2bnu s ARG 93 Ca -0.01 -0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 54.17 2bnu s ARG 93 Cb -0.10 -1.98 0.12 0.00 0.52 0.00 0.00 34.95 33.51 2bnu s ARG 93 CO 0.02 0.54 1.15 -2.14 0.02 0.00 0.00 175.30 174.89 2bnu s PRO 94 N -0.64 1.39 0.30 3.54 0.02 -1.26 0.17 135.00 138.52 2bnu s PRO 94 Ca 0.10 1.52 0.06 0.00 0.02 0.00 0.00 61.00 62.71 2bnu s PRO 94 Cb -0.10 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 2bnu s PRO 94 CO -0.01 -2.35 -0.04 -0.08 -0.33 0.00 0.00 177.00 174.19 2bnu s THR 95 N -2.59 1.64 -0.83 0.99 -1.32 -1.22 -3.81 115.64 108.50 2bnu s THR 95 Ca 0.67 -2.10 -0.03 0.00 -1.21 0.00 0.00 61.69 59.02 2bnu s THR 95 Cb -0.23 -2.56 -0.01 0.00 -1.51 0.00 0.00 72.50 68.19 2bnu s THR 95 CO 0.56 -0.22 0.71 -1.20 -2.21 0.00 0.00 174.62 172.26 2bnu n SER 96 N -0.65 -6.74 -3.69 8.08 7.64 -1.26 -3.49 113.62 113.52 2bnu n SER 96 Ca -0.05 -0.44 -0.27 0.00 1.01 0.00 0.00 58.87 59.12 2bnu n SER 96 Cb 0.64 -4.24 0.02 0.00 -1.01 0.00 0.00 64.21 59.62 2bnu n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bnu n GLY 97 N -1.68 -1.11 2.24 0.23 0.00 -1.26 -4.89 105.19 98.71 2bnu n GLY 97 Ca -0.09 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 2bnu n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bnu n GLY 98 N -1.76 6.12 3.75 -0.02 0.00 -1.23 -4.87 105.19 107.19 2bnu n GLY 98 Ca -0.15 -2.55 0.00 0.00 0.00 0.00 0.00 46.02 43.32 2bnu n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bnu n SER 99 N -0.74 0.00 0.00 1.61 7.64 -1.26 -3.32 113.62 117.54 2bnu n SER 99 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2bnu n SER 99 Cb 0.78 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2bnu n SER 99 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2bnu n TYR 100 N -2.00 0.00 -1.91 1.43 4.02 -1.26 -4.87 117.16 112.57 2bnu n TYR 100 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2bnu n TYR 100 Cb 0.00 -1.42 -0.03 0.00 -0.02 0.00 0.00 39.34 37.87 2bnu n TYR 100 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2bnu s ILE 101 N -0.97 3.38 0.72 -0.72 -1.09 -1.21 -4.65 121.20 116.65 2bnu s ILE 101 Ca 0.00 0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 58.71 2bnu s ILE 101 Cb 0.00 -3.47 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2bnu s ILE 101 CO 0.00 -0.27 1.07 -2.84 -1.23 0.00 0.00 174.94 171.67 2bnu s PRO 102 N 5.56 2.76 -0.08 2.79 0.02 -1.26 -4.18 135.00 140.61 2bnu s PRO 102 Ca 0.84 0.94 0.02 0.00 0.02 0.00 0.00 61.00 62.81 2bnu s PRO 102 Cb -0.27 -1.97 0.02 0.00 0.02 0.00 0.00 34.50 32.30 2bnu s PRO 102 CO 0.34 -1.22 -0.12 0.99 -0.33 0.00 0.00 177.00 176.66 2bnu s THR 103 N -3.04 1.17 -0.00 0.99 2.01 -0.32 -4.98 115.64 111.47 2bnu s THR 103 Ca 0.59 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.13 2bnu s THR 103 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2bnu s THR 103 CO 0.55 0.37 0.03 -0.36 -0.69 0.00 0.00 174.62 174.53 2bnu s PHE 104 N 0.96 3.16 0.78 4.92 0.40 -1.26 -1.98 117.98 124.96 2bnu s PHE 104 Ca -0.09 0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.28 2bnu s PHE 104 Cb -0.15 -1.70 0.09 0.00 0.51 0.00 0.00 43.02 41.77 2bnu s PHE 104 CO 0.00 0.50 1.11 0.20 0.70 0.00 0.00 175.22 177.73 2bnu s GLY 105 N -1.63 1.67 0.00 4.36 0.00 -0.27 -4.70 107.32 106.74 2bnu s GLY 105 Ca 0.21 -0.91 0.30 0.00 0.00 0.00 0.00 44.72 44.31 2bnu s GLY 105 CO 0.12 -0.42 2.02 0.54 0.00 0.00 0.00 173.10 175.36 2bnu n ARG 106 N -3.17 0.35 0.00 2.90 1.74 -1.26 -4.73 116.66 112.49 2bnu n ARG 106 Ca 0.09 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2bnu n ARG 106 Cb 0.60 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 2bnu n ARG 106 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bnu n GLY 107 N 1.33 -1.34 3.16 -0.13 0.00 -1.26 -4.96 105.19 101.97 2bnu n GLY 107 Ca 0.13 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 2bnu n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bnu s THR 108 N -2.40 2.11 -0.31 2.61 2.01 -0.38 -4.69 115.64 114.59 2bnu s THR 108 Ca 0.00 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.84 2bnu s THR 108 Cb 0.00 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 2bnu s THR 108 CO 0.00 0.54 0.68 -0.55 -0.69 0.00 0.00 174.62 174.60 2bnu s SER 109 N 1.02 6.54 -0.12 3.53 0.15 -0.15 -0.67 113.70 124.00 2bnu s SER 109 Ca -0.02 0.46 -0.01 0.00 0.70 0.00 0.00 55.95 57.09 2bnu s SER 109 Cb -0.14 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.79 2bnu s SER 109 CO -0.06 -0.54 -0.08 -0.22 1.20 0.00 0.00 173.24 173.53 2bnu s LEU 110 N 2.74 3.02 -0.14 3.45 2.96 0.04 -0.64 118.68 130.11 2bnu s LEU 110 Ca 0.27 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.01 2bnu s LEU 110 Cb -0.15 -1.69 0.03 0.00 0.50 0.00 0.00 46.19 44.88 2bnu s LEU 110 CO 0.12 0.23 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.65 2bnu s ILE 111 N -0.01 1.30 -0.31 6.68 1.01 -0.36 -1.82 121.20 127.69 2bnu s ILE 111 Ca -0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 2bnu s ILE 111 Cb -0.14 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2bnu s ILE 111 CO 0.03 0.35 0.11 -0.69 0.00 0.00 0.00 174.94 174.74 2bnu s VAL 112 N 1.59 4.11 0.22 2.92 1.01 -1.26 -1.84 120.40 127.15 2bnu s VAL 112 Ca 0.04 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 2bnu s VAL 112 Cb -0.13 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2bnu s VAL 112 CO -0.09 0.03 0.89 -1.00 0.00 0.00 0.00 175.10 174.93 2bnu s HIS 113 N 1.51 3.96 0.46 5.22 0.09 0.25 -4.09 115.29 122.69 2bnu s HIS 113 Ca 0.02 1.83 -0.22 0.00 -0.00 0.00 0.00 55.06 56.70 2bnu s HIS 113 Cb -0.18 -2.92 -0.08 0.00 -0.00 0.00 0.00 32.58 29.41 2bnu s HIS 113 CO 0.03 0.47 1.07 -1.25 -0.00 0.00 0.00 174.74 175.06 2bnu s PRO 114 N -1.20 3.87 -0.21 8.40 0.04 -1.26 -0.58 135.00 144.07 2bnu s PRO 114 Ca 0.40 1.50 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 2bnu s PRO 114 Cb -0.25 -2.28 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 2bnu s PRO 114 CO 0.30 -0.39 0.81 -0.47 0.04 0.00 0.00 177.00 177.29 2bnu s TYR 115 N -1.78 3.36 -0.47 0.56 6.14 -1.26 -4.53 117.35 119.36 2bnu s TYR 115 Ca 0.64 1.16 -0.16 0.00 0.64 0.00 0.00 57.07 59.35 2bnu s TYR 115 Cb -0.21 -3.01 0.07 0.00 0.42 0.00 0.00 41.96 39.23 2bnu s TYR 115 CO 0.25 -0.31 0.43 0.42 0.64 0.00 0.00 175.55 176.98 2bnu s ILE 116 N 2.46 5.17 0.17 3.14 -1.09 -1.26 -4.96 121.20 124.83 2bnu s ILE 116 Ca 0.36 -0.93 -0.15 0.00 -2.23 0.00 0.00 60.65 57.70 2bnu s ILE 116 Cb -0.16 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.62 2bnu s ILE 116 CO 0.10 -0.60 1.82 -0.61 -1.23 0.00 0.00 174.94 174.42 2bnu h GLN 117 N 8.79 0.57 -2.82 2.79 4.15 -1.94 -3.37 115.11 123.28 2bnu h GLN 117 Ca -0.28 -0.03 -0.61 0.00 0.77 0.00 0.00 58.65 58.50 2bnu h GLN 117 Cb 1.11 -0.13 -0.40 0.00 0.21 0.00 0.00 27.48 28.27 2bnu h GLN 117 CO 0.88 0.38 -0.74 -0.80 -1.93 0.00 0.00 178.83 176.62 2bnu s ASN 118 N -5.58 3.44 0.37 -0.69 -0.87 -1.26 -5.10 114.94 105.25 2bnu s ASN 118 Ca -0.13 -3.36 -0.26 0.00 -1.57 0.00 0.00 52.86 47.54 2bnu s ASN 118 Cb 0.12 -1.12 -0.12 0.00 -0.02 0.00 0.00 41.25 40.12 2bnu s ASN 118 CO 0.73 -0.15 1.15 -2.65 -2.57 0.00 0.00 177.10 173.61 2bnu n PRO 119 N 2.56 1.71 -2.87 -0.60 -0.02 -1.26 -4.93 135.00 129.58 2bnu n PRO 119 Ca 0.21 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 2bnu n PRO 119 Cb 0.39 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.75 2bnu n PRO 119 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bnu n ASP 120 N 0.65 -0.59 -4.63 2.55 2.03 0.67 -5.02 116.55 112.21 2bnu n ASP 120 Ca 0.07 -3.11 -0.50 0.00 0.52 0.00 0.00 54.79 51.77 2bnu n ASP 120 Cb 0.37 0.52 -0.05 0.00 -0.72 0.00 0.00 41.12 41.24 2bnu n ASP 120 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2bnu n PRO 121 N 0.11 1.52 -3.53 -0.67 -0.04 -1.15 -4.60 135.00 126.64 2bnu n PRO 121 Ca 0.12 0.55 -0.16 0.00 -0.04 0.00 0.00 63.50 63.97 2bnu n PRO 121 Cb 0.73 -2.24 -0.05 0.00 -0.04 0.00 0.00 33.50 31.89 2bnu n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bnu s ALA 122 N 1.02 -1.57 -0.14 0.55 0.00 -0.75 -1.11 121.76 119.77 2bnu s ALA 122 Ca 0.84 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.76 2bnu s ALA 122 Cb -0.86 0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2bnu s ALA 122 CO 0.46 -0.46 -0.21 0.08 0.00 0.00 0.00 175.76 175.63 2bnu s VAL 123 N -1.91 2.23 0.03 0.00 1.01 0.17 -0.78 120.40 121.14 2bnu s VAL 123 Ca -0.08 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.05 2bnu s VAL 123 Cb -0.01 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2bnu s VAL 123 CO 0.03 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.14 2bnu s TYR 124 N 0.71 2.02 -0.18 5.22 2.02 0.04 -4.14 117.35 123.04 2bnu s TYR 124 Ca -0.09 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 2bnu s TYR 124 Cb -0.16 -1.23 -0.05 0.00 -0.40 0.00 0.00 41.96 40.12 2bnu s TYR 124 CO 0.01 0.06 0.20 -1.14 -1.57 0.00 0.00 175.55 173.11 2bnu s GLN 125 N -1.00 4.17 -0.20 -0.62 0.74 -1.26 -0.31 119.66 121.18 2bnu s GLN 125 Ca 0.09 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.36 2bnu s GLN 125 Cb -0.09 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 2bnu s GLN 125 CO 0.01 0.31 0.01 -0.51 -0.55 0.00 0.00 175.29 174.55 2bnu s LEU 126 N 0.31 3.30 0.64 3.68 1.02 0.20 -5.00 118.68 122.83 2bnu s LEU 126 Ca 0.12 -0.18 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 2bnu s LEU 126 Cb -0.12 -1.84 0.05 0.00 0.02 0.00 0.00 46.19 44.30 2bnu s LEU 126 CO 0.01 0.07 0.91 0.00 0.02 0.00 0.00 176.35 177.36 2bnu s ARG 127 N 0.98 2.35 0.00 1.70 3.03 -1.26 -3.98 118.95 121.76 2bnu s ARG 127 Ca 0.02 -0.47 0.00 0.00 2.03 0.00 0.00 55.73 57.31 2bnu s ARG 127 Cb -0.14 -2.30 0.00 0.00 -1.03 0.00 0.00 34.95 31.48 2bnu s ARG 127 CO 0.02 -1.02 0.00 -2.13 -1.13 0.00 0.00 175.30 171.04 2bnu n ARG 128 N -2.68 0.00 0.00 3.89 0.00 -1.26 -4.90 116.66 111.71 2bnu n ARG 128 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 2bnu n ARG 128 Cb 0.60 -0.46 0.00 0.00 0.00 0.00 0.00 32.46 32.61 2bnu n ARG 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bnu n SER 129 N -2.27 0.32 0.00 6.15 2.88 -1.26 -4.76 113.62 114.68 2bnu n SER 129 Ca 0.00 -1.04 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 2bnu n SER 129 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bnu n SER 129 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2bnu n LYS 130 N -0.02 0.00 0.00 -1.46 3.00 -1.26 -5.04 118.16 113.37 2bnu n LYS 130 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2bnu n LYS 130 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.25 2bnu n LYS 130 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2bnu n SER 131 N 0.00 -0.23 -2.70 3.14 2.88 -1.26 -5.04 113.62 110.42 2bnu n SER 131 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2bnu n SER 131 Cb 0.00 0.76 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2bnu n SER 131 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bnu n SER 132 N -1.02 -6.62 0.00 -3.46 7.64 -1.26 -5.00 113.62 103.89 2bnu n SER 132 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2bnu n SER 132 Cb 0.00 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 2bnu n SER 132 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bnu n ASP 133 N -1.32 0.00 -3.77 6.43 2.03 -1.26 -5.01 116.55 113.65 2bnu n ASP 133 Ca 0.02 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.20 2bnu n ASP 133 Cb 0.47 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 2bnu n ASP 133 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2bnu s LYS 134 N 0.00 1.57 -0.32 -0.67 1.02 -1.26 -4.24 119.74 115.85 2bnu s LYS 134 Ca 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 55.97 54.35 2bnu s LYS 134 Cb 0.00 0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.74 2bnu s LYS 134 CO 0.00 -0.61 0.05 0.45 -0.92 0.00 0.00 175.35 174.32 2bnu s SER 135 N -3.16 5.08 -0.12 2.83 0.15 -1.23 -4.70 113.70 112.55 2bnu s SER 135 Ca 0.32 -1.16 -0.01 0.00 0.70 0.00 0.00 55.95 55.80 2bnu s SER 135 Cb 0.02 -1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 2bnu s SER 135 CO 0.15 -0.28 -0.08 -0.69 1.20 0.00 0.00 173.24 173.54 2bnu s VAL 136 N 1.34 3.54 0.13 4.45 1.01 -1.26 -2.27 120.40 127.34 2bnu s VAL 136 Ca -0.03 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2bnu s VAL 136 Cb -0.19 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2bnu s VAL 136 CO 0.01 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.43 2bnu s LEU 138 N -2.20 1.64 -0.27 0.00 2.96 0.58 -1.36 118.68 120.04 2bnu s LEU 138 Ca 0.11 -0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 2bnu s LEU 138 Cb -0.09 -1.10 -0.04 0.00 0.50 0.00 0.00 46.19 45.47 2bnu s LEU 138 CO 0.06 -0.09 0.33 0.12 -1.32 0.00 0.00 176.35 175.45 2bnu s PHE 139 N 1.53 3.25 0.15 5.38 5.36 -0.15 -0.78 117.98 132.73 2bnu s PHE 139 Ca 0.04 0.37 -0.05 0.00 -0.96 0.00 0.00 56.93 56.33 2bnu s PHE 139 Cb -0.13 -2.52 -0.02 0.00 -0.34 0.00 0.00 43.02 40.00 2bnu s PHE 139 CO -0.10 -0.19 0.17 -0.08 -1.46 0.00 0.00 175.22 173.57 2bnu s THR 140 N 1.92 0.08 -1.62 0.12 -1.32 0.04 -0.91 115.64 113.95 2bnu s THR 140 Ca 0.14 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2bnu s THR 140 Cb -0.16 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.88 2bnu s THR 140 CO 0.10 -0.37 0.00 0.47 -2.21 0.00 0.00 174.62 172.61 2bnu n ASP 141 N -0.16 -4.85 -4.88 8.08 8.00 -0.44 -1.81 116.55 120.48 2bnu n ASP 141 Ca -0.06 0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.50 2bnu n ASP 141 Cb 0.63 -3.74 -0.01 0.00 -0.02 0.00 0.00 41.12 37.99 2bnu n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2bnu s PHE 142 N -2.59 3.55 0.68 1.24 -0.71 -1.26 -0.23 117.98 118.65 2bnu s PHE 142 Ca 0.00 1.06 -0.15 0.00 -1.04 0.00 0.00 56.93 56.80 2bnu s PHE 142 Cb 0.00 -2.49 0.01 0.00 -1.21 0.00 0.00 43.02 39.33 2bnu s PHE 142 CO 0.00 -0.36 1.15 0.34 -1.34 0.00 0.00 175.22 175.01 2bnu s ASP 143 N -3.81 4.79 0.21 1.98 2.15 -1.26 -4.49 116.67 116.24 2bnu s ASP 143 Ca 0.51 2.14 0.19 0.00 0.43 0.00 0.00 52.55 55.83 2bnu s ASP 143 Cb -0.10 -2.57 0.89 0.00 -0.30 0.00 0.00 42.92 40.84 2bnu s ASP 143 CO 0.43 -1.85 1.59 -1.20 -0.17 0.00 0.00 175.17 173.97 2bnu n SER 144 N -2.49 0.48 0.19 -0.34 7.64 -1.26 -1.90 113.62 115.94 2bnu n SER 144 Ca 0.12 0.65 0.13 0.00 1.01 0.00 0.00 58.87 60.78 2bnu n SER 144 Cb 0.51 -0.74 0.34 0.00 -1.01 0.00 0.00 64.21 63.32 2bnu n SER 144 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2bnu h GLN 145 N 0.00 0.00 -6.51 1.43 4.20 -1.94 -3.44 115.11 108.85 2bnu h GLN 145 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2bnu h GLN 145 Cb 0.22 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.00 2bnu h GLN 145 CO 0.00 0.00 0.58 0.99 -0.67 0.00 0.00 178.83 179.73 2bnu s THR 146 N -3.26 3.90 -0.07 -0.54 2.01 -0.80 -5.03 115.64 111.85 2bnu s THR 146 Ca 0.07 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.45 2bnu s THR 146 Cb 0.08 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 2bnu s THR 146 CO 0.61 0.12 -0.05 0.20 -0.69 0.00 0.00 174.62 174.81 2bnu s ASN 147 N 0.99 4.82 -0.31 3.53 0.01 -1.26 -4.98 114.94 117.73 2bnu s ASN 147 Ca 0.59 0.03 -0.09 0.00 -0.71 0.00 0.00 52.86 52.67 2bnu s ASN 147 Cb -0.31 -1.26 -0.01 0.00 0.41 0.00 0.00 41.25 40.09 2bnu s ASN 147 CO 0.30 0.37 0.14 -0.69 -1.51 0.00 0.00 177.10 175.71 2bnu s VAL 148 N -0.82 4.51 0.69 1.60 1.01 -1.26 -4.19 120.40 121.94 2bnu s VAL 148 Ca 0.12 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2bnu s VAL 148 Cb -0.11 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 33.09 2bnu s VAL 148 CO 0.02 0.07 0.94 -0.94 0.00 0.00 0.00 175.10 175.19 2bnu s SER 149 N 1.60 4.52 0.27 3.32 1.04 -1.26 -4.97 113.70 118.22 2bnu s SER 149 Ca 0.04 -0.49 -0.13 0.00 0.48 0.00 0.00 55.95 55.85 2bnu s SER 149 Cb -0.17 0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.94 2bnu s SER 149 CO 0.06 -1.74 0.65 0.00 0.98 0.00 0.00 173.24 173.19 2bnu s GLN 150 N -5.02 3.94 0.70 4.02 0.00 -1.26 -4.83 119.66 117.21 2bnu s GLN 150 Ca 0.65 0.52 -0.11 0.00 -0.00 0.00 0.00 55.36 56.42 2bnu s GLN 150 Cb -0.05 -2.56 0.01 0.00 0.00 0.00 0.00 33.01 30.41 2bnu s GLN 150 CO 0.43 0.25 1.06 0.45 0.00 0.00 0.00 175.29 177.48 2bnu s SER 151 N -2.25 5.36 -0.10 12.60 0.15 -1.26 -4.85 113.70 123.35 2bnu s SER 151 Ca 0.50 1.49 0.16 0.00 0.70 0.00 0.00 55.95 58.81 2bnu s SER 151 Cb -0.11 -2.37 0.66 0.00 -1.71 0.00 0.00 66.02 62.49 2bnu s SER 151 CO 0.19 -1.44 1.55 2.29 1.20 0.00 0.00 173.24 177.03 2bnu n LYS 152 N -3.12 3.49 -4.29 5.44 0.00 -1.26 -4.92 118.16 113.50 2bnu n LYS 152 Ca 0.07 -2.59 -0.33 0.00 -0.00 0.00 0.00 58.31 55.46 2bnu n LYS 152 Cb 0.54 -1.84 -0.09 0.00 -0.00 0.00 0.00 35.03 33.64 2bnu n LYS 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2bnu s ASP 153 N -0.85 5.19 0.20 -5.58 2.15 -1.26 -5.04 116.67 111.48 2bnu s ASP 153 Ca 0.46 0.04 -0.06 0.00 0.43 0.00 0.00 52.55 53.42 2bnu s ASP 153 Cb 0.30 -1.39 0.14 0.00 -0.30 0.00 0.00 42.92 41.67 2bnu s ASP 153 CO 0.22 0.30 1.62 0.77 -0.17 0.00 0.00 175.17 177.92 2bnu h SER 154 N 4.51 0.87 -0.87 -0.34 4.64 -2.04 -3.19 113.55 117.13 2bnu h SER 154 Ca -0.49 -0.30 -0.37 0.00 -0.47 0.00 0.00 61.79 60.15 2bnu h SER 154 Cb 1.18 -0.24 -0.22 0.00 -0.31 0.00 0.00 62.40 62.81 2bnu h SER 154 CO 0.57 1.04 0.46 -0.90 -0.87 0.00 0.00 176.83 177.13 2bnu n ASP 155 N -4.12 4.29 -4.15 4.97 5.68 -1.26 -4.92 116.55 117.03 2bnu n ASP 155 Ca 0.01 -3.43 -0.26 0.00 -0.50 0.00 0.00 54.79 50.61 2bnu n ASP 155 Cb 0.42 -0.79 -0.16 0.00 -1.14 0.00 0.00 41.12 39.45 2bnu n ASP 155 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2bnu s VAL 156 N -3.15 1.47 -0.01 2.12 1.01 -1.21 -3.99 120.40 116.63 2bnu s VAL 156 Ca 0.56 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2bnu s VAL 156 Cb 0.46 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 2bnu s VAL 156 CO 0.12 0.42 -0.17 -0.31 0.00 0.00 0.00 175.10 175.17 2bnu s TYR 157 N -0.10 1.49 -0.07 5.22 2.02 -0.34 -4.81 117.35 120.76 2bnu s TYR 157 Ca -0.01 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2bnu s TYR 157 Cb -0.10 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.52 2bnu s TYR 157 CO 0.01 -0.03 -0.08 0.42 -1.57 0.00 0.00 175.55 174.30 2bnu s ILE 158 N -0.38 0.89 0.76 2.71 1.01 -1.26 -1.42 121.20 123.51 2bnu s ILE 158 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 2bnu s ILE 158 Cb -0.06 -0.87 0.09 0.00 0.01 0.00 0.00 42.46 41.63 2bnu s ILE 158 CO -0.01 0.31 1.09 0.42 0.00 0.00 0.00 174.94 176.76 2bnu s THR 159 N 1.04 2.17 0.90 2.92 -4.23 0.19 -4.96 115.64 113.68 2bnu s THR 159 Ca -0.08 -0.21 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 2bnu s THR 159 Cb -0.14 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 70.87 2bnu s THR 159 CO -0.00 0.00 1.15 1.51 -0.54 0.00 0.00 174.62 176.73 2bnu s ASP 160 N -4.60 3.60 0.18 3.99 1.47 -1.26 -4.57 116.67 115.48 2bnu s ASP 160 Ca 0.63 0.90 -0.06 0.00 1.18 0.00 0.00 52.55 55.20 2bnu s ASP 160 Cb -0.09 -1.44 -0.06 0.00 -0.34 0.00 0.00 42.92 40.98 2bnu s ASP 160 CO 0.47 -2.49 0.45 -1.59 0.68 0.00 0.00 175.17 172.69 2bnu s LYS 161 N -5.35 3.68 0.04 2.11 -2.85 -1.26 -4.57 119.74 111.55 2bnu s LYS 161 Ca 0.64 0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.65 2bnu s LYS 161 Cb -0.14 -2.76 -0.03 0.00 -2.06 0.00 0.00 37.83 32.84 2bnu s LYS 161 CO 0.53 0.40 -0.04 0.00 0.10 0.00 0.00 175.35 176.34 2bnu s VAL 163 N -2.68 4.23 0.14 0.00 1.01 -1.26 -1.88 120.40 119.96 2bnu s VAL 163 Ca -0.03 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.79 2bnu s VAL 163 Cb -0.01 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2bnu s VAL 163 CO -0.05 0.52 -0.15 -1.48 0.00 0.00 0.00 175.10 173.94 2bnu s LEU 164 N -0.02 2.79 -0.19 3.92 0.05 -0.48 -4.96 118.68 119.79 2bnu s LEU 164 Ca 0.03 -0.57 0.01 0.00 0.05 0.00 0.00 54.13 53.64 2bnu s LEU 164 Cb -0.13 -1.57 0.04 0.00 -2.05 0.00 0.00 46.19 42.47 2bnu s LEU 164 CO 0.02 0.15 -0.13 -0.62 -0.55 0.00 0.00 176.35 175.23 2bnu s ASP 165 N -2.38 3.27 -0.95 1.48 2.15 -1.26 -1.58 116.67 117.39 2bnu s ASP 165 Ca 0.20 -0.80 -0.18 0.00 0.43 0.00 0.00 52.55 52.21 2bnu s ASP 165 Cb -0.10 -1.29 0.14 0.00 -0.30 0.00 0.00 42.92 41.37 2bnu s ASP 165 CO 0.12 -0.10 1.15 -0.04 -0.17 0.00 0.00 175.17 176.12 2bnu s MET 166 N 1.38 3.64 0.13 4.34 -1.94 0.12 -4.91 119.30 122.06 2bnu s MET 166 Ca 0.01 -1.85 -0.29 0.00 -1.71 0.00 0.00 55.69 51.85 2bnu s MET 166 Cb -0.15 -4.92 -0.09 0.00 2.01 0.00 0.00 34.83 31.68 2bnu s MET 166 CO -0.09 -1.76 1.50 0.00 -0.01 0.00 0.00 175.02 174.65 2bnu h ARG 167 N 8.67 -0.21 -1.16 2.03 3.08 -1.97 -1.65 114.38 123.17 2bnu h ARG 167 Ca 0.17 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.57 2bnu h ARG 167 Cb 1.01 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.02 2bnu h ARG 167 CO 1.11 -0.14 0.78 0.77 -1.07 0.00 0.00 179.97 181.42 2bnu h SER 168 N -0.22 0.27 -0.29 7.04 0.02 -1.97 0.15 113.55 118.56 2bnu h SER 168 Ca 0.10 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2bnu h SER 168 Cb 0.48 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2bnu h SER 168 CO -0.67 0.01 0.00 0.23 -1.14 0.00 0.00 176.83 175.26 2bnu n MET 169 N -4.50 2.26 -3.99 3.45 2.81 -0.82 -4.96 117.12 111.37 2bnu n MET 169 Ca 0.28 -2.08 -0.26 0.00 -1.81 0.00 0.00 57.70 53.84 2bnu n MET 169 Cb 1.12 -1.44 -0.03 0.00 -0.71 0.00 0.00 33.22 32.16 2bnu n MET 169 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bnu n ASP 170 N 1.26 -0.43 -4.04 7.83 4.64 0.51 -4.94 116.55 121.39 2bnu n ASP 170 Ca 0.16 -1.02 -0.28 0.00 -1.38 0.00 0.00 54.79 52.27 2bnu n ASP 170 Cb 0.54 -2.97 -0.17 0.00 -1.04 0.00 0.00 41.12 37.49 2bnu n ASP 170 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 2bnu s PHE 171 N -3.94 1.88 0.07 -0.67 5.36 -0.97 -5.01 117.98 114.69 2bnu s PHE 171 Ca 0.05 -0.86 0.08 0.00 -0.96 0.00 0.00 56.93 55.24 2bnu s PHE 171 Cb -0.03 -1.36 -0.04 0.00 -0.34 0.00 0.00 43.02 41.25 2bnu s PHE 171 CO 0.90 -0.45 -0.18 0.15 -1.46 0.00 0.00 175.22 174.18 2bnu s LYS 172 N 0.98 1.98 -0.08 10.12 1.02 -1.26 0.11 119.74 132.60 2bnu s LYS 172 Ca -0.07 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 2bnu s LYS 172 Cb -0.15 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.02 2bnu s LYS 172 CO -0.01 0.52 0.31 -1.54 -0.92 0.00 0.00 175.35 173.71 2bnu s SER 173 N -1.71 -0.27 0.28 2.83 1.04 -0.62 -4.95 113.70 110.31 2bnu s SER 173 Ca 0.16 0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.97 2bnu s SER 173 Cb -0.11 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2bnu s SER 173 CO 0.07 -0.23 0.54 0.20 0.98 0.00 0.00 173.24 174.80 2bnu s ASN 174 N -0.39 6.45 -0.01 7.02 0.01 -1.26 -1.38 114.94 125.38 2bnu s ASN 174 Ca -0.05 0.71 -0.28 0.00 -0.71 0.00 0.00 52.86 52.52 2bnu s ASN 174 Cb -0.03 -2.14 0.09 0.00 0.41 0.00 0.00 41.25 39.57 2bnu s ASN 174 CO 0.02 -0.18 0.78 -0.94 -1.51 0.00 0.00 177.10 175.27 2bnu s SER 175 N -3.11 -0.50 0.01 -1.22 1.04 -0.79 -1.33 113.70 107.80 2bnu s SER 175 Ca 0.44 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2bnu s SER 175 Cb -0.11 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2bnu s SER 175 CO 0.29 -0.64 -0.02 0.00 0.98 0.00 0.00 173.24 173.85 2bnu s ALA 176 N -2.25 0.13 -0.05 5.32 0.00 -0.09 -1.56 121.76 123.27 2bnu s ALA 176 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.60 2bnu s ALA 176 Cb -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2bnu s ALA 176 CO -0.02 -0.07 -0.07 0.08 0.00 0.00 0.00 175.76 175.68 2bnu s VAL 177 N -0.81 3.65 0.05 0.00 1.01 -1.26 -0.98 120.40 122.05 2bnu s VAL 177 Ca -0.08 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2bnu s VAL 177 Cb -0.06 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2bnu s VAL 177 CO -0.00 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 2bnu s ALA 178 N -0.86 0.96 0.19 5.51 0.00 -0.46 -0.64 121.76 126.46 2bnu s ALA 178 Ca 0.14 -0.83 -0.22 0.00 0.00 0.00 0.00 51.96 51.05 2bnu s ALA 178 Cb -0.11 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.98 2bnu s ALA 178 CO 0.03 0.13 0.61 1.67 0.00 0.00 0.00 175.76 178.21 2bnu s TRP 179 N -1.09 -0.42 0.00 0.00 -2.14 -0.51 -0.27 118.94 114.50 2bnu s TRP 179 Ca -0.03 0.15 0.00 0.00 2.66 0.00 0.00 56.10 58.88 2bnu s TRP 179 Cb -0.09 0.57 0.00 0.00 -3.10 0.00 0.00 33.47 30.85 2bnu s TRP 179 CO 0.01 -0.93 0.00 0.45 -2.66 0.00 0.00 176.95 173.82 2bnu n SER 180 N -0.39 0.05 -4.06 -2.66 2.88 -0.96 -1.19 113.62 107.29 2bnu n SER 180 Ca -0.14 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.07 2bnu n SER 180 Cb 0.63 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.96 2bnu n SER 180 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2bnu s ASN 181 N 1.00 4.96 0.00 -3.46 2.47 -1.26 -3.54 114.94 115.12 2bnu s ASN 181 Ca 0.00 -2.19 0.00 0.00 0.42 0.00 0.00 52.86 51.09 2bnu s ASN 181 Cb 0.00 -1.72 0.00 0.00 -1.45 0.00 0.00 41.25 38.08 2bnu s ASN 181 CO 0.00 -0.44 0.00 1.17 -3.72 0.00 0.00 177.10 174.11 2bnu n LYS 182 N 4.29 0.00 0.00 0.43 3.00 -1.26 -4.65 118.16 119.97 2bnu n LYS 182 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 2bnu n LYS 182 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.44 2bnu n LYS 182 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2bnu n SER 183 N 0.00 2.59 -3.45 3.14 3.41 -1.26 -5.04 113.62 113.02 2bnu n SER 183 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 2bnu n SER 183 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2bnu n SER 183 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bnu n ASP 184 N 0.00 4.63 -3.15 4.04 5.75 -1.26 -4.62 116.55 121.94 2bnu n ASP 184 Ca 0.00 -2.58 0.06 0.00 -0.01 0.00 0.00 54.79 52.26 2bnu n ASP 184 Cb 0.00 -1.30 -0.00 0.00 -1.03 0.00 0.00 41.12 38.79 2bnu n ASP 184 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bnu s PHE 185 N 3.64 -0.10 -0.00 2.11 5.36 -1.26 -5.13 117.98 122.60 2bnu s PHE 185 Ca 0.52 0.07 -0.30 0.00 -0.96 0.00 0.00 56.93 56.25 2bnu s PHE 185 Cb 0.14 0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.79 2bnu s PHE 185 CO -0.00 -0.06 1.22 0.00 -1.46 0.00 0.00 175.22 174.92 2bnu s ALA 186 N 2.99 3.46 0.36 11.12 0.00 -1.26 -4.90 121.76 133.53 2bnu s ALA 186 Ca 0.24 0.75 0.37 0.00 0.00 0.00 0.00 51.96 53.32 2bnu s ALA 186 Cb -0.01 -3.50 1.98 0.00 0.00 0.00 0.00 23.12 21.58 2bnu s ALA 186 CO -0.19 -0.65 2.14 0.00 0.00 0.00 0.00 175.76 177.06 2bnu h ALA 188 N 2.01 2.08 0.00 0.00 0.00 -1.95 0.35 119.26 121.76 2bnu h ALA 188 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bnu h ALA 188 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2bnu h ALA 188 CO 0.00 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.22 2bnu n ASN 189 N -4.49 0.70 -0.34 0.00 4.13 -0.93 -3.59 115.26 110.74 2bnu n ASN 189 Ca 0.01 0.66 0.01 0.00 1.68 0.00 0.00 54.58 56.95 2bnu n ASN 189 Cb 0.22 -0.81 0.18 0.00 -1.54 0.00 0.00 39.78 37.83 2bnu n ASN 189 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bnu h ALA 190 N 2.28 1.40 0.00 5.41 0.00 -1.10 -2.81 119.26 124.44 2bnu h ALA 190 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bnu h ALA 190 Cb 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2bnu h ALA 190 CO 0.00 0.49 0.00 1.19 0.00 0.00 0.00 179.25 180.93 2bnu n PHE 191 N -4.45 0.00 0.16 0.00 3.01 -1.24 -4.26 117.46 110.68 2bnu n PHE 191 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 2bnu n PHE 191 Cb 0.12 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 2bnu n PHE 191 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2bnu n ASN 192 N -1.41 1.21 0.00 4.37 2.04 -1.06 -1.53 115.26 118.87 2bnu n ASN 192 Ca 0.09 -0.91 0.00 0.00 -0.44 0.00 0.00 54.58 53.32 2bnu n ASN 192 Cb 0.27 -0.23 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 2bnu n ASN 192 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2bnu n ASN 193 N 1.17 0.11 -4.76 0.53 4.13 -1.26 -5.06 115.26 110.12 2bnu n ASN 193 Ca 0.00 -0.44 -0.24 0.00 1.68 0.00 0.00 54.58 55.58 2bnu n ASN 193 Cb 0.16 0.54 -0.06 0.00 -1.54 0.00 0.00 39.78 38.88 2bnu n ASN 193 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2bnu s SER 194 N -0.54 4.59 -0.39 6.41 1.04 -0.59 -4.82 113.70 119.41 2bnu s SER 194 Ca 0.00 -0.94 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 2bnu s SER 194 Cb 0.00 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.57 2bnu s SER 194 CO 0.00 -0.49 0.73 0.27 0.98 0.00 0.00 173.24 174.73 2bnu s ILE 195 N -2.53 4.77 0.12 -1.02 -4.36 -1.26 -5.00 121.20 111.93 2bnu s ILE 195 Ca 0.41 0.64 0.05 0.00 -0.26 0.00 0.00 60.65 61.50 2bnu s ILE 195 Cb 0.01 -4.19 -0.04 0.00 1.25 0.00 0.00 42.46 39.49 2bnu s ILE 195 CO 0.23 -0.47 -0.13 0.27 0.24 0.00 0.00 174.94 175.08 2bnu s ILE 196 N 3.00 1.26 0.22 8.37 -4.36 -1.26 -4.33 121.20 124.10 2bnu s ILE 196 Ca 0.28 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.60 2bnu s ILE 196 Cb -0.13 -1.56 -0.15 0.00 1.25 0.00 0.00 42.46 41.87 2bnu s ILE 196 CO 0.18 -0.49 1.20 -2.65 0.24 0.00 0.00 174.94 173.42 2bnu n PRO 197 N 0.41 1.48 0.30 0.37 -0.02 -1.26 -4.85 135.00 131.44 2bnu n PRO 197 Ca -0.15 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 62.04 2bnu n PRO 197 Cb 0.58 -2.04 0.94 0.00 -0.02 0.00 0.00 33.50 32.95 2bnu n PRO 197 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2bnu h GLU 198 N 3.28 0.00 -0.35 -0.52 9.09 -2.02 -1.72 114.58 122.34 2bnu h GLU 198 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2bnu h GLU 198 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 2bnu h GLU 198 CO 0.69 0.03 0.00 -0.25 0.05 0.00 0.00 179.01 179.54 2bnu n ASP 199 N -3.32 2.42 -4.62 3.06 8.00 -1.26 -4.96 116.55 115.87 2bnu n ASP 199 Ca -0.02 -1.90 -0.47 0.00 0.71 0.00 0.00 54.79 53.11 2bnu n ASP 199 Cb 0.17 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 2bnu n ASP 199 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2bnu n THR 200 N 0.82 0.80 -2.79 -3.53 -1.04 -0.65 -4.90 114.28 102.99 2bnu n THR 200 Ca 0.17 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 2bnu n THR 200 Cb 0.42 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 2bnu n THR 200 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 2bnu s PHE 201 N -0.02 3.46 -0.57 -1.42 5.36 -0.27 -4.94 117.98 119.58 2bnu s PHE 201 Ca 0.72 1.42 0.07 0.00 -0.96 0.00 0.00 56.93 58.17 2bnu s PHE 201 Cb -0.76 -3.10 0.28 0.00 -0.34 0.00 0.00 43.02 39.10 2bnu s PHE 201 CO 0.50 -0.24 0.76 1.19 -1.46 0.00 0.00 175.22 175.97 2bnu n PHE 202 N 5.15 2.88 -2.01 10.12 3.72 -1.26 -0.66 117.46 135.41 2bnu n PHE 202 Ca 0.07 -4.00 -0.39 0.00 -0.05 0.00 0.00 57.45 53.08 2bnu n PHE 202 Cb 0.49 -0.50 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 2bnu n PHE 202 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2bnu s PRO 203 N -2.53 3.65 0.00 -1.08 0.04 -1.26 -5.05 135.00 128.77 2bnu s PRO 203 Ca 0.41 2.10 0.22 0.00 0.04 0.00 0.00 61.00 63.78 2bnu s PRO 203 Cb 0.20 -2.51 1.33 0.00 0.04 0.00 0.00 34.50 33.56 2bnu s PRO 203 CO -0.06 -0.73 1.70 0.45 0.04 0.00 0.00 177.00 178.40