#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqe s THR 2 N 0.00 4.42 -0.58 0.00 -4.23 -1.26 -5.01 115.64 108.97 2pqe s THR 2 Ca 0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2pqe s THR 2 Cb 0.00 -2.94 0.52 0.00 1.34 0.00 0.00 72.50 71.42 2pqe s THR 2 CO 0.00 0.46 1.99 -1.54 -0.54 0.00 0.00 174.62 174.99 2pqe n SER 3 N 1.61 6.24 -4.64 3.99 3.41 -1.26 -4.94 113.62 118.04 2pqe n SER 3 Ca -0.16 -3.70 -0.35 0.00 -0.26 0.00 0.00 58.87 54.40 2pqe n SER 3 Cb 0.53 -0.93 -0.10 0.00 -0.26 0.00 0.00 64.21 63.46 2pqe n SER 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pqe s THR 4 N -4.21 5.01 -0.19 6.66 -4.23 -1.26 -4.99 115.64 112.44 2pqe s THR 4 Ca 0.61 0.05 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 2pqe s THR 4 Cb 0.49 -3.29 -0.21 0.00 1.34 0.00 0.00 72.50 70.83 2pqe s THR 4 CO 0.03 0.41 0.13 0.29 -0.54 0.00 0.00 174.62 174.95 2pqe n LYS 5 N 3.88 0.67 -2.90 3.99 5.02 -1.26 -5.05 118.16 122.51 2pqe n LYS 5 Ca -0.16 0.32 -0.02 0.00 -2.02 0.00 0.00 58.31 56.43 2pqe n LYS 5 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2pqe n LYS 5 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2pqe n LYS 6 N -3.76 -1.49 -1.19 1.97 4.81 -1.26 -4.97 118.16 112.27 2pqe n LYS 6 Ca -0.37 1.58 -0.00 0.00 -0.87 0.00 0.00 58.31 58.65 2pqe n LYS 6 Cb 0.93 -5.44 0.13 0.00 0.02 0.00 0.00 35.03 30.66 2pqe n LYS 6 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2pqe n LEU 7 N -1.34 2.73 -4.59 3.14 4.32 -1.26 -5.03 117.00 114.97 2pqe n LEU 7 Ca 0.03 -3.65 -0.38 0.00 -0.02 0.00 0.00 56.01 51.99 2pqe n LEU 7 Cb 0.48 -0.33 -0.11 0.00 -1.62 0.00 0.00 43.42 41.84 2pqe n LEU 7 CO 0.48 1.34 -0.16 -2.28 -1.22 0.00 0.00 177.39 175.55 2pqe s HIS 8 N -2.73 3.22 0.24 -1.77 2.46 -1.26 -5.08 115.29 110.37 2pqe s HIS 8 Ca 0.39 0.13 0.07 0.00 0.47 0.00 0.00 55.06 56.12 2pqe s HIS 8 Cb 0.38 -2.39 -0.04 0.00 -0.13 0.00 0.00 32.58 30.40 2pqe s HIS 8 CO -0.07 -0.16 0.17 -1.59 -2.47 0.00 0.00 174.74 170.62 2pqe s LYS 9 N 1.77 2.86 -0.30 2.88 0.00 -1.26 -4.67 119.74 121.02 2pqe s LYS 9 Ca 0.07 -1.05 -0.17 0.00 0.00 0.00 0.00 55.97 54.82 2pqe s LYS 9 Cb -0.16 -2.54 0.19 0.00 0.00 0.00 0.00 37.83 35.32 2pqe s LYS 9 CO 0.11 0.41 1.21 -2.00 0.00 0.00 0.00 175.35 175.08 2pqe s GLU 10 N -3.69 0.14 0.00 1.78 2.56 -0.13 -4.76 118.70 114.61 2pqe s GLU 10 Ca 0.32 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.52 2pqe s GLU 10 Cb -0.08 0.03 0.00 0.00 2.00 0.00 0.00 34.13 36.08 2pqe s GLU 10 CO 0.24 -0.03 0.00 0.00 -0.56 0.00 0.00 175.26 174.91 2pqe n ALA 11 N 3.01 0.30 0.00 6.30 0.00 -1.25 -2.47 120.51 126.40 2pqe n ALA 11 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2pqe n ALA 11 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2pqe n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqe n ALA 12 N -3.00 0.00 -3.37 0.00 0.00 -0.97 -3.89 120.51 109.27 2pqe n ALA 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pqe n ALA 12 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2pqe n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pqe s THR 13 N 0.00 0.02 -0.26 0.00 2.01 -1.05 -4.09 115.64 112.27 2pqe s THR 13 Ca 0.00 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.73 2pqe s THR 13 Cb 0.00 -0.72 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2pqe s THR 13 CO 0.00 -0.08 0.26 -0.22 -0.69 0.00 0.00 174.62 173.89 2pqe s LEU 14 N -0.51 4.05 -0.06 4.42 1.98 -1.26 0.17 118.68 127.47 2pqe s LEU 14 Ca -0.06 0.16 -0.12 0.00 -2.89 0.00 0.00 54.13 51.22 2pqe s LEU 14 Cb -0.03 -2.25 -0.07 0.00 0.66 0.00 0.00 46.19 44.49 2pqe s LEU 14 CO 0.04 -0.08 0.48 0.40 -1.89 0.00 0.00 176.35 175.30 2pqe h ILE 15 N 5.28 0.17 -1.29 6.68 5.03 -1.01 -3.47 117.51 128.90 2pqe h ILE 15 Ca -0.34 -0.84 0.15 0.00 -0.12 0.00 0.00 64.86 63.71 2pqe h ILE 15 Cb 1.17 0.29 -0.28 0.00 -3.03 0.00 0.00 36.82 34.98 2pqe h ILE 15 CO 0.61 0.05 0.74 -0.75 -0.68 0.00 0.00 178.15 178.12 2pqe s LYS 16 N -2.78 0.27 0.48 2.37 2.20 -1.04 -5.01 119.74 116.24 2pqe s LYS 16 Ca -0.07 0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 55.55 2pqe s LYS 16 Cb 0.00 0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.37 2pqe s LYS 16 CO 0.21 -0.06 0.96 0.00 -0.36 0.00 0.00 175.35 176.11 2pqe s ALA 17 N -0.48 3.07 -0.13 3.13 0.00 -1.26 -0.19 121.76 125.90 2pqe s ALA 17 Ca 0.05 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 2pqe s ALA 17 Cb -0.03 -3.12 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 2pqe s ALA 17 CO -0.08 -0.10 -0.13 -0.89 0.00 0.00 0.00 175.76 174.56 2pqe n ILE 18 N -1.23 0.76 -2.75 0.00 5.41 0.41 -4.84 119.36 117.11 2pqe n ILE 18 Ca 0.07 -0.26 -0.09 0.00 1.00 0.00 0.00 62.75 63.46 2pqe n ILE 18 Cb 0.54 -1.17 0.08 0.00 -0.71 0.00 0.00 39.64 38.39 2pqe n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2pqe n ASP 19 N -3.09 -1.44 0.00 4.38 8.00 -0.25 -4.97 116.55 119.19 2pqe n ASP 19 Ca -0.24 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.26 2pqe n ASP 19 Cb 0.73 1.03 0.00 0.00 -0.02 0.00 0.00 41.12 42.86 2pqe n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pqe n GLY 20 N -0.11 0.65 0.11 0.44 0.00 -1.25 -3.51 105.19 101.53 2pqe n GLY 20 Ca 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2pqe n GLY 20 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2pqe h ASP 21 N 0.00 0.43 -3.27 1.61 3.04 -1.86 -3.43 116.42 112.94 2pqe h ASP 21 Ca 0.00 -0.56 -0.67 0.00 -3.24 0.00 0.00 57.03 52.56 2pqe h ASP 21 Cb 0.00 -0.14 -0.17 0.00 -1.04 0.00 0.00 39.33 37.98 2pqe h ASP 21 CO 0.00 1.46 0.13 -0.89 -2.04 0.00 0.00 179.24 177.90 2pqe s THR 22 N -2.62 4.80 0.02 1.15 2.01 -1.23 -1.44 115.64 118.34 2pqe s THR 22 Ca -0.09 -0.33 0.03 0.00 0.31 0.00 0.00 61.69 61.62 2pqe s THR 22 Cb 0.07 -4.32 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2pqe s THR 22 CO 0.86 -0.83 -0.10 0.68 -0.69 0.00 0.00 174.62 174.54 2pqe s VAL 23 N 2.83 0.81 -0.53 3.82 -7.23 0.24 0.15 120.40 120.50 2pqe s VAL 23 Ca 0.18 -0.78 -0.25 0.00 -1.81 0.00 0.00 61.98 59.32 2pqe s VAL 23 Cb -0.18 -0.75 0.04 0.00 0.56 0.00 0.00 36.38 36.05 2pqe s VAL 23 CO 0.13 -0.02 0.95 -0.54 -0.31 0.00 0.00 175.10 175.32 2pqe s LYS 24 N -0.90 3.38 -0.13 4.82 1.02 0.74 0.11 119.74 128.77 2pqe s LYS 24 Ca -0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 2pqe s LYS 24 Cb -0.07 -4.02 -0.02 0.00 -0.52 0.00 0.00 37.83 33.20 2pqe s LYS 24 CO 0.01 -1.44 -0.09 -1.17 -0.92 0.00 0.00 175.35 171.73 2pqe s LEU 25 N 3.97 2.93 -0.67 3.17 0.20 0.38 -0.31 118.68 128.35 2pqe s LEU 25 Ca 0.33 -0.24 -0.27 0.00 0.69 0.00 0.00 54.13 54.64 2pqe s LEU 25 Cb -0.12 -1.67 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 2pqe s LEU 25 CO 0.21 0.18 1.42 -0.32 -0.29 0.00 0.00 176.35 177.55 2pqe s MET 26 N 0.26 3.12 -0.14 1.98 -2.45 0.45 -1.32 119.30 121.20 2pqe s MET 26 Ca -0.07 0.11 -0.10 0.00 -1.25 0.00 0.00 55.69 54.38 2pqe s MET 26 Cb -0.15 -4.20 -0.05 0.00 1.25 0.00 0.00 34.83 31.69 2pqe s MET 26 CO 0.04 -2.19 0.18 -0.47 1.05 0.00 0.00 175.02 173.63 2pqe s TYR 27 N 6.43 3.52 -0.40 4.11 5.04 0.30 -2.52 117.35 133.83 2pqe s TYR 27 Ca 0.46 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 2pqe s TYR 27 Cb -0.09 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.11 2pqe s TYR 27 CO 0.19 0.50 0.00 0.36 -1.34 0.00 0.00 175.55 175.26 2pqe n LYS 28 N 2.74 -2.38 -0.34 4.97 0.00 -1.25 1.00 118.16 122.89 2pqe n LYS 28 Ca -0.17 0.22 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2pqe n LYS 28 Cb 0.53 -4.67 0.00 0.00 -0.00 0.00 0.00 35.03 30.90 2pqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 29 N -0.50 0.80 2.83 2.58 0.00 -1.26 -5.08 105.19 104.55 2pqe n GLY 29 Ca -0.05 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2pqe n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 30 N -0.68 0.50 -0.79 1.61 -2.07 0.28 -5.09 119.66 113.42 2pqe s GLN 30 Ca 0.00 0.04 -0.26 0.00 -1.82 0.00 0.00 55.36 53.32 2pqe s GLN 30 Cb 0.00 -0.67 0.00 0.00 -1.09 0.00 0.00 33.01 31.25 2pqe s GLN 30 CO 0.00 -0.15 1.62 0.00 -1.32 0.00 0.00 175.29 175.44 2pqe s ALA 31 N 1.18 2.35 0.15 2.60 0.00 -1.26 0.11 121.76 126.89 2pqe s ALA 31 Ca -0.07 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.58 2pqe s ALA 31 Cb -0.14 -4.39 -0.04 0.00 0.00 0.00 0.00 23.12 18.56 2pqe s ALA 31 CO -0.02 -3.84 0.00 0.00 0.00 0.00 0.00 175.76 171.91 2pqe s MET 32 N 6.22 2.46 -0.41 0.00 0.00 -0.43 -4.89 119.30 122.25 2pqe s MET 32 Ca 0.54 -1.01 -0.29 0.00 0.00 0.00 0.00 55.69 54.93 2pqe s MET 32 Cb -0.07 -2.43 0.02 0.00 0.00 0.00 0.00 34.83 32.35 2pqe s MET 32 CO 0.08 0.48 1.12 0.99 0.00 0.00 0.00 175.02 177.70 2pqe s THR 33 N -1.59 4.32 0.16 3.16 2.01 -1.26 -0.47 115.64 121.97 2pqe s THR 33 Ca 0.27 1.42 -0.03 0.00 0.31 0.00 0.00 61.69 63.66 2pqe s THR 33 Cb -0.10 -4.52 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 2pqe s THR 33 CO 0.19 -0.79 0.38 -0.36 -0.69 0.00 0.00 174.62 173.35 2pqe s PHE 34 N 4.16 3.48 -0.05 4.92 0.40 0.30 0.67 117.98 131.86 2pqe s PHE 34 Ca 0.47 0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 57.28 2pqe s PHE 34 Cb -0.09 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.51 2pqe s PHE 34 CO 0.25 0.41 0.02 1.03 0.70 0.00 0.00 175.22 177.64 2pqe s ARG 35 N -2.87 0.24 0.19 0.44 0.52 -0.64 -0.59 118.95 116.25 2pqe s ARG 35 Ca 0.40 0.20 -0.33 0.00 -0.52 0.00 0.00 55.73 55.48 2pqe s ARG 35 Cb -0.12 -0.63 -0.13 0.00 0.52 0.00 0.00 34.95 34.59 2pqe s ARG 35 CO 0.26 -0.26 1.59 1.28 0.02 0.00 0.00 175.30 178.20 2pqe n LEU 36 N 4.86 3.39 -4.79 2.53 4.77 -0.52 -0.92 117.00 126.32 2pqe n LEU 36 Ca -0.12 1.09 -0.39 0.00 -0.03 0.00 0.00 56.01 56.56 2pqe n LEU 36 Cb 0.50 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.06 2pqe n LEU 36 CO 0.13 -0.17 0.40 -0.76 -1.33 0.00 0.00 177.39 175.66 2pqe s LEU 37 N 0.76 4.57 -1.35 2.23 1.43 -0.97 -3.91 118.68 121.44 2pqe s LEU 37 Ca 0.75 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 2pqe s LEU 37 Cb -0.62 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2pqe s LEU 37 CO 0.39 0.23 0.00 0.18 0.23 0.00 0.00 176.35 177.38 2pqe n LEU 38 N 1.67 -1.10 -4.15 1.79 4.77 -1.26 -4.86 117.00 113.86 2pqe n LEU 38 Ca -0.07 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 2pqe n LEU 38 Cb 0.49 -2.13 -0.12 0.00 -2.33 0.00 0.00 43.42 39.34 2pqe n LEU 38 CO 0.44 -0.51 -0.45 -0.69 -1.33 0.00 0.00 177.39 174.86 2pqe s VAL 39 N -2.35 1.00 -0.24 4.08 1.01 -1.25 -2.00 120.40 120.66 2pqe s VAL 39 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.72 2pqe s VAL 39 Cb 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.46 2pqe s VAL 39 CO 0.00 -0.25 -0.03 -0.62 0.00 0.00 0.00 175.10 174.19 2pqe s ASP 40 N -1.71 3.85 -0.65 3.32 2.15 -0.87 -4.27 116.67 118.49 2pqe s ASP 40 Ca -0.03 -1.24 0.02 0.00 0.43 0.00 0.00 52.55 51.73 2pqe s ASP 40 Cb -0.10 -1.14 0.16 0.00 -0.30 0.00 0.00 42.92 41.54 2pqe s ASP 40 CO 0.02 -0.26 0.44 -0.89 -0.17 0.00 0.00 175.17 174.31 2pqe s THR 41 N 1.41 3.21 0.38 1.71 2.01 -1.26 -1.15 115.64 121.95 2pqe s THR 41 Ca -0.04 -3.57 0.00 0.00 0.31 0.00 0.00 61.69 58.39 2pqe s THR 41 Cb -0.19 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2pqe s THR 41 CO -0.08 -0.92 0.00 0.00 -0.69 0.00 0.00 174.62 172.94 2pqe n ALA 42 N 2.78 -2.02 0.00 7.40 0.00 -1.26 -3.40 120.51 124.01 2pqe n ALA 42 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2pqe n ALA 42 Cb 0.35 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2pqe n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pqe n GLU 43 N -0.45 0.00 -1.53 0.00 4.07 -1.26 -4.77 120.64 116.70 2pqe n GLU 43 Ca 0.00 0.00 -0.23 0.00 -0.06 0.00 0.00 57.16 56.87 2pqe n GLU 43 Cb 0.00 -0.05 -0.14 0.00 -0.06 0.00 0.00 31.44 31.19 2pqe n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2pqe n THR 44 N -1.87 -0.01 -1.05 6.31 5.66 -1.26 -4.73 114.28 117.33 2pqe n THR 44 Ca 0.00 -0.46 -0.25 0.00 -3.05 0.00 0.00 64.05 60.29 2pqe n THR 44 Cb 0.00 -1.04 0.11 0.00 -1.55 0.00 0.00 70.33 67.84 2pqe n THR 44 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2pqe n LYS 45 N 7.42 2.25 -3.43 1.09 0.00 -1.26 -4.41 118.16 119.82 2pqe n LYS 45 Ca 0.57 -2.66 -0.26 0.00 -0.00 0.00 0.00 58.31 55.97 2pqe n LYS 45 Cb 0.26 -2.04 -0.11 0.00 -0.00 0.00 0.00 35.03 33.14 2pqe n LYS 45 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2pqe s HIS 46 N -3.01 0.49 -0.81 5.58 2.46 -1.26 -4.95 115.29 113.78 2pqe s HIS 46 Ca 0.52 -1.47 -0.01 0.00 0.47 0.00 0.00 55.06 54.57 2pqe s HIS 46 Cb 0.42 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 32.07 2pqe s HIS 46 CO 0.04 -0.86 0.75 2.41 -2.47 0.00 0.00 174.74 174.60 2pqe n THR 47 N 4.03 -9.97 -0.04 0.89 -1.04 -1.26 -4.98 114.28 101.90 2pqe n THR 47 Ca 0.13 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.05 61.59 2pqe n THR 47 Cb 0.39 -6.85 -0.05 0.00 -1.82 0.00 0.00 70.33 62.00 2pqe n THR 47 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pqe n LYS 48 N -2.10 1.45 0.00 -2.82 -0.00 -1.26 -5.01 118.16 108.42 2pqe n LYS 48 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2pqe n LYS 48 Cb 0.53 -1.20 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 2pqe n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2pqe n LYS 49 N -2.54 0.00 0.00 -1.58 5.02 -1.26 -3.26 118.16 114.54 2pqe n LYS 49 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2pqe n LYS 49 Cb 0.72 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 2pqe n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 50 N 0.00 0.00 0.00 0.72 0.00 -1.26 -4.66 105.19 99.99 2pqe n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pqe n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pqe n VAL 51 N 0.00 0.00 -0.40 1.61 3.14 -1.20 -3.93 118.33 117.54 2pqe n VAL 51 Ca 0.00 0.00 0.36 0.00 -2.96 0.00 0.00 64.34 61.74 2pqe n VAL 51 Cb 0.00 0.00 0.63 0.00 -1.06 0.00 0.00 33.84 33.41 2pqe n VAL 51 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2pqe h GLU 52 N 0.00 0.02 0.00 1.45 5.08 -1.97 -2.60 114.58 116.56 2pqe h GLU 52 Ca 0.00 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2pqe h GLU 52 Cb 0.00 -0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 2pqe h GLU 52 CO 0.00 0.01 -0.50 0.36 -1.00 0.00 0.00 179.01 177.89 2pqe n LYS 53 N -4.96 0.00 -3.24 2.33 -0.00 -1.26 -4.99 118.16 106.04 2pqe n LYS 53 Ca 0.39 -1.13 -0.22 0.00 -0.00 0.00 0.00 58.31 57.35 2pqe n LYS 53 Cb 1.42 0.12 0.05 0.00 -0.00 0.00 0.00 35.03 36.63 2pqe n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2pqe n TYR 54 N 0.15 -2.28 -0.35 5.58 4.01 -0.98 -4.77 117.16 118.52 2pqe n TYR 54 Ca -0.09 0.72 0.00 0.00 -0.16 0.00 0.00 57.90 58.37 2pqe n TYR 54 Cb 0.80 -4.55 0.16 0.00 -0.31 0.00 0.00 39.34 35.44 2pqe n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2pqe h GLY 55 N -1.92 1.40 2.00 2.72 0.00 -1.86 0.33 103.07 105.74 2pqe h GLY 55 Ca -0.52 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.26 2pqe h GLY 55 CO 0.53 0.42 -0.30 0.00 0.00 0.00 0.00 176.54 177.19 2pqe h ALA 56 N 1.43 1.41 0.04 3.60 0.00 -1.83 -2.83 119.26 121.08 2pqe h ALA 56 Ca 0.38 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2pqe h ALA 56 Cb -0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2pqe h ALA 56 CO -0.11 0.38 -1.52 1.49 0.00 0.00 0.00 179.25 179.48 2pqe h GLU 57 N 0.00 0.08 0.08 0.00 4.81 -1.53 -2.99 114.58 115.02 2pqe h GLU 57 Ca -0.00 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2pqe h GLU 57 Cb 0.57 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2pqe h GLU 57 CO 0.04 0.81 -0.13 0.00 -0.73 0.00 0.00 179.01 179.00 2pqe h ALA 58 N 0.81 -0.21 -0.24 2.92 0.00 -0.16 0.43 119.26 122.82 2pqe h ALA 58 Ca -0.22 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2pqe h ALA 58 Cb 1.96 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.95 2pqe h ALA 58 CO 0.11 -0.65 -0.60 0.77 0.00 0.00 0.00 179.25 178.89 2pqe h SER 59 N -0.26 0.89 -0.22 0.00 0.02 -1.67 -2.71 113.55 109.59 2pqe h SER 59 Ca 0.02 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2pqe h SER 59 Cb 0.27 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2pqe h SER 59 CO -0.07 1.28 0.10 0.00 -1.14 0.00 0.00 176.83 177.00 2pqe h ALA 60 N 0.73 0.29 -0.45 3.77 0.00 -1.35 0.83 119.26 123.07 2pqe h ALA 60 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pqe h ALA 60 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2pqe h ALA 60 CO 0.13 -0.13 0.30 0.35 0.00 0.00 0.00 179.25 179.89 2pqe h PHE 61 N 0.22 0.58 -0.03 0.00 3.04 -0.17 0.41 116.94 120.98 2pqe h PHE 61 Ca 0.08 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 61.86 2pqe h PHE 61 Cb 0.16 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 2pqe h PHE 61 CO -0.01 0.37 -0.75 1.15 -2.02 0.00 0.00 178.31 177.04 2pqe h THR 62 N 0.61 1.45 -0.25 4.41 2.02 -1.36 -2.03 112.91 117.77 2pqe h THR 62 Ca 0.17 -2.33 -0.20 0.00 0.77 0.00 0.00 66.41 64.82 2pqe h THR 62 Cb -0.06 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2pqe h THR 62 CO -0.04 0.68 -0.61 0.50 0.37 0.00 0.00 175.52 176.42 2pqe h LYS 63 N 0.14 0.86 0.02 6.66 3.64 0.11 -2.23 116.57 125.76 2pqe h LYS 63 Ca -0.03 -0.58 -0.26 0.00 -1.27 0.00 0.00 60.65 58.51 2pqe h LYS 63 Cb 1.33 0.09 0.02 0.00 -0.41 0.00 0.00 32.23 33.25 2pqe h LYS 63 CO 0.12 1.21 -1.04 1.57 -2.27 0.00 0.00 179.45 179.04 2pqe h LYS 64 N 0.64 0.59 -0.32 1.90 5.09 -0.22 -1.18 116.57 123.07 2pqe h LYS 64 Ca -0.00 -0.66 -0.10 0.00 0.09 0.00 0.00 60.65 59.98 2pqe h LYS 64 Cb 1.23 0.19 -0.01 0.00 0.10 0.00 0.00 32.23 33.74 2pqe h LYS 64 CO 0.13 1.26 -0.23 1.98 -2.09 0.00 0.00 179.45 180.50 2pqe h MET 65 N 0.32 0.61 0.06 0.07 4.05 -1.42 -1.66 114.93 116.95 2pqe h MET 65 Ca -0.12 -0.23 -0.10 0.00 -0.28 0.00 0.00 59.70 58.97 2pqe h MET 65 Cb 1.69 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.46 2pqe h MET 65 CO 0.20 0.80 -0.42 -0.39 0.23 0.00 0.00 176.91 177.32 2pqe h VAL 66 N 0.54 1.61 0.00 -5.77 -1.51 -1.44 0.72 116.25 110.39 2pqe h VAL 66 Ca 0.08 -2.32 -0.00 0.00 -1.23 0.00 0.00 66.70 63.23 2pqe h VAL 66 Cb 0.69 3.13 -0.00 0.00 -2.13 0.00 0.00 31.29 32.98 2pqe h VAL 66 CO 0.05 0.64 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.68 2pqe h GLU 67 N -0.58 0.00 0.02 5.19 4.39 -1.23 -2.02 114.58 120.35 2pqe h GLU 67 Ca -0.07 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.31 2pqe h GLU 67 Cb 1.28 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 2pqe h GLU 67 CO 0.08 0.02 -1.89 -1.71 -1.16 0.00 0.00 179.01 174.35 2pqe n ASN 68 N -4.06 1.01 -4.57 1.42 2.85 -0.63 -4.69 115.26 106.60 2pqe n ASN 68 Ca -0.03 0.30 -0.31 0.00 -0.11 0.00 0.00 54.58 54.43 2pqe n ASN 68 Cb 0.10 -0.06 -0.05 0.00 1.24 0.00 0.00 39.78 41.01 2pqe n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2pqe s ALA 69 N -2.57 2.01 0.57 5.20 0.00 0.24 -4.77 121.76 122.43 2pqe s ALA 69 Ca -0.10 -1.99 0.33 0.00 0.00 0.00 0.00 51.96 50.20 2pqe s ALA 69 Cb 0.07 -4.61 1.46 0.00 0.00 0.00 0.00 23.12 20.04 2pqe s ALA 69 CO 0.81 -4.68 1.77 0.87 0.00 0.00 0.00 175.76 174.52 2pqe h LYS 70 N 10.12 0.00 -4.56 0.00 1.57 -1.84 -3.35 116.57 118.51 2pqe h LYS 70 Ca 0.19 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.38 2pqe h LYS 70 Cb 0.97 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.91 2pqe h LYS 70 CO 1.27 0.00 -0.82 0.21 -0.57 0.00 0.00 179.45 179.53 2pqe s LYS 71 N -4.79 2.11 0.00 3.15 2.36 -1.26 -4.87 119.74 116.44 2pqe s LYS 71 Ca -0.04 -0.53 0.07 0.00 -2.55 0.00 0.00 55.97 52.92 2pqe s LYS 71 Cb 0.20 -2.04 -0.02 0.00 -1.05 0.00 0.00 37.83 34.92 2pqe s LYS 71 CO 0.69 -0.27 -0.23 0.42 1.55 0.00 0.00 175.35 177.51 2pqe s ILE 72 N 1.52 1.84 0.08 5.43 1.09 -1.26 0.11 121.20 130.02 2pqe s ILE 72 Ca 0.04 -1.09 0.06 0.00 -1.10 0.00 0.00 60.65 58.56 2pqe s ILE 72 Cb -0.13 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.69 2pqe s ILE 72 CO -0.10 0.43 -0.15 -1.61 -0.10 0.00 0.00 174.94 173.41 2pqe s GLU 73 N -0.77 0.90 0.06 2.79 2.02 0.23 -2.30 118.70 121.62 2pqe s GLU 73 Ca 0.09 -1.03 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2pqe s GLU 73 Cb -0.09 -0.94 -0.03 0.00 0.10 0.00 0.00 34.13 33.17 2pqe s GLU 73 CO 0.00 0.21 -0.12 0.14 0.02 0.00 0.00 175.26 175.51 2pqe s VAL 74 N -1.35 0.93 -0.14 2.63 -7.23 -1.03 0.10 120.40 114.31 2pqe s VAL 74 Ca 0.01 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2pqe s VAL 74 Cb -0.09 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 35.96 2pqe s VAL 74 CO 0.03 -0.23 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.73 2pqe s GLU 75 N -1.56 2.43 -0.17 4.82 -6.30 -0.96 -0.95 118.70 116.00 2pqe s GLU 75 Ca -0.04 -0.62 -0.13 0.00 -2.50 0.00 0.00 54.97 51.68 2pqe s GLU 75 Cb -0.09 -2.12 -0.05 0.00 0.00 0.00 0.00 34.13 31.87 2pqe s GLU 75 CO 0.02 -0.15 0.25 -0.06 0.02 0.00 0.00 175.26 175.34 2pqe s PHE 76 N 1.22 3.44 0.00 5.30 0.08 -1.26 -2.28 117.98 124.47 2pqe s PHE 76 Ca -0.00 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.57 2pqe s PHE 76 Cb -0.14 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.01 2pqe s PHE 76 CO -0.07 0.24 0.00 -3.47 -0.10 0.00 0.00 175.22 171.83 2pqe n ASP 77 N 3.59 -0.04 0.01 1.36 -0.08 -1.26 -5.00 116.55 115.13 2pqe n ASP 77 Ca -0.13 -0.29 0.11 0.00 -1.51 0.00 0.00 54.79 52.97 2pqe n ASP 77 Cb 0.52 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.92 2pqe n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2pqe n LYS 78 N -0.33 0.22 0.00 -0.67 0.00 -1.22 -4.82 118.16 111.35 2pqe n LYS 78 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2pqe n LYS 78 Cb 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 35.03 33.50 2pqe n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pqe n GLY 79 N 1.41 -2.18 3.16 2.58 0.00 0.27 -4.88 105.19 105.55 2pqe n GLY 79 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2pqe n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pqe s GLN 80 N 0.00 1.59 0.14 1.61 0.00 -1.26 -4.90 119.66 116.83 2pqe s GLN 80 Ca 0.00 -0.63 -0.02 0.00 -0.00 0.00 0.00 55.36 54.71 2pqe s GLN 80 Cb 0.00 -1.47 -0.07 0.00 0.00 0.00 0.00 33.01 31.48 2pqe s GLN 80 CO 0.00 0.33 1.33 -0.09 0.00 0.00 0.00 175.29 176.86 2pqe h ARG 81 N 5.92 0.35 -3.93 9.60 2.43 -1.90 -3.40 114.38 123.44 2pqe h ARG 81 Ca -0.35 -0.38 -0.59 0.00 -0.81 0.00 0.00 59.98 57.85 2pqe h ARG 81 Cb 1.16 0.11 -0.39 0.00 -0.42 0.00 0.00 29.97 30.42 2pqe h ARG 81 CO 0.48 1.06 -0.76 0.95 -1.51 0.00 0.00 179.97 180.19 2pqe s THR 82 N -3.25 1.18 0.26 0.20 -4.23 -1.25 0.11 115.64 108.65 2pqe s THR 82 Ca -0.05 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 2pqe s THR 82 Cb 0.09 -1.72 0.29 0.00 1.34 0.00 0.00 72.50 72.50 2pqe s THR 82 CO 0.86 -0.42 1.64 -2.24 -0.54 0.00 0.00 174.62 173.91 2pqe h ASP 83 N 8.02 -0.25 0.00 3.99 2.03 -1.81 -3.45 116.42 124.95 2pqe h ASP 83 Ca -0.14 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2pqe h ASP 83 Cb 1.05 0.33 0.00 0.00 -0.83 0.00 0.00 39.33 39.88 2pqe h ASP 83 CO 0.44 -0.18 0.00 2.29 -1.03 0.00 0.00 179.24 180.76 2pqe n LYS 84 N -5.32 0.00 0.22 4.15 2.85 -1.26 -4.96 118.16 113.85 2pqe n LYS 84 Ca 0.16 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.49 2pqe n LYS 84 Cb 0.54 0.00 0.52 0.00 -0.65 0.00 0.00 35.03 35.44 2pqe n LYS 84 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 2pqe h TYR 85 N 0.00 0.00 0.00 5.58 3.20 -2.02 -3.46 116.97 120.27 2pqe h TYR 85 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2pqe h TYR 85 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2pqe h TYR 85 CO 0.00 0.23 0.00 0.41 -1.64 0.00 0.00 178.16 177.16 2pqe n GLY 86 N -0.66 1.82 3.66 1.82 0.00 -1.26 -5.12 105.19 105.45 2pqe n GLY 86 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2pqe n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqe s ARG 87 N -0.33 3.49 -0.81 1.61 3.00 -1.26 -4.70 118.95 119.94 2pqe s ARG 87 Ca 0.00 -0.37 -0.25 0.00 0.00 0.00 0.00 55.73 55.11 2pqe s ARG 87 Cb 0.00 -3.00 -0.07 0.00 0.00 0.00 0.00 34.95 31.88 2pqe s ARG 87 CO 0.00 0.50 2.08 0.20 0.00 0.00 0.00 175.30 178.08 2pqe s GLY 88 N -0.29 -0.11 0.03 -3.53 0.00 0.21 -3.83 107.32 99.81 2pqe s GLY 88 Ca 0.07 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.36 2pqe s GLY 88 CO 0.02 3.70 1.82 1.08 0.00 0.00 0.00 173.10 179.73 2pqe s LEU 89 N 11.27 4.39 0.00 0.66 1.43 0.29 -1.61 118.68 135.11 2pqe s LEU 89 Ca 0.77 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 56.42 2pqe s LEU 89 Cb -0.10 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2pqe s LEU 89 CO 0.06 -0.99 0.00 0.00 0.23 0.00 0.00 176.35 175.65 2pqe n ALA 90 N 6.85 0.00 -1.95 4.21 0.00 -0.10 -4.53 120.51 124.99 2pqe n ALA 90 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2pqe n ALA 90 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.80 2pqe n ALA 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2pqe s TYR 91 N -2.00 3.81 -0.16 0.00 1.51 -0.97 -2.30 117.35 117.25 2pqe s TYR 91 Ca 0.00 1.63 -0.08 0.00 -1.01 0.00 0.00 57.07 57.61 2pqe s TYR 91 Cb 0.00 -2.78 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 2pqe s TYR 91 CO 0.00 0.40 0.14 0.42 -1.11 0.00 0.00 175.55 175.40 2pqe s ILE 92 N -1.34 5.46 -0.10 2.71 -1.09 -1.26 -2.27 121.20 123.30 2pqe s ILE 92 Ca 0.41 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.05 2pqe s ILE 92 Cb -0.21 -3.44 0.02 0.00 -1.58 0.00 0.00 42.46 37.25 2pqe s ILE 92 CO 0.25 0.54 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.07 2pqe s TYR 93 N -0.39 1.72 -0.21 3.97 2.02 0.29 -1.36 117.35 123.39 2pqe s TYR 93 Ca 0.12 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 55.96 2pqe s TYR 93 Cb -0.12 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 2pqe s TYR 93 CO 0.01 -0.46 0.01 0.00 -1.57 0.00 0.00 175.55 173.55 2pqe s ALA 94 N 1.17 3.03 -1.76 3.71 0.00 0.25 0.75 121.76 128.91 2pqe s ALA 94 Ca -0.04 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 2pqe s ALA 94 Cb -0.14 -1.83 0.16 0.00 0.00 0.00 0.00 23.12 21.30 2pqe s ALA 94 CO -0.03 -0.26 0.44 -0.25 0.00 0.00 0.00 175.76 175.66 2pqe n ASP 95 N 4.47 -1.13 0.00 0.00 9.92 0.30 0.16 116.55 130.27 2pqe n ASP 95 Ca -0.17 -1.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.86 2pqe n ASP 95 Cb 0.52 -1.74 0.00 0.00 -0.64 0.00 0.00 41.12 39.25 2pqe n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2pqe n GLY 96 N -1.55 0.40 3.29 0.44 0.00 -1.26 -5.04 105.19 101.47 2pqe n GLY 96 Ca -0.02 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2pqe n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pqe s LYS 97 N -1.69 2.02 -0.32 1.61 2.47 0.42 -5.10 119.74 119.14 2pqe s LYS 97 Ca 0.00 -0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 53.23 2pqe s LYS 97 Cb 0.00 -1.95 0.02 0.00 -1.46 0.00 0.00 37.83 34.44 2pqe s LYS 97 CO 0.00 0.53 1.07 -1.64 0.16 0.00 0.00 175.35 175.47 2pqe s MET 98 N -0.58 4.05 0.03 4.03 -1.94 -1.26 0.86 119.30 124.49 2pqe s MET 98 Ca 0.09 1.04 -0.19 0.00 -1.71 0.00 0.00 55.69 54.93 2pqe s MET 98 Cb -0.10 -3.74 -0.18 0.00 2.01 0.00 0.00 34.83 32.82 2pqe s MET 98 CO -0.01 -0.91 1.23 0.28 -0.01 0.00 0.00 175.02 175.60 2pqe h VAL 99 N 5.75 1.38 -0.08 -6.03 2.07 -1.59 -1.68 116.25 116.07 2pqe h VAL 99 Ca -0.21 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.58 2pqe h VAL 99 Cb 1.06 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2pqe h VAL 99 CO 1.03 0.52 -0.03 -0.55 0.02 0.00 0.00 177.57 178.57 2pqe h ASN 100 N 0.03 -0.09 -0.04 0.57 -1.07 -1.92 -1.05 115.58 112.01 2pqe h ASN 100 Ca -0.02 0.03 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 2pqe h ASN 100 Cb 1.05 0.06 -0.00 0.00 -2.07 0.00 0.00 38.32 37.35 2pqe h ASN 100 CO 0.09 -0.04 0.01 -0.33 0.07 0.00 0.00 177.43 177.23 2pqe h GLU 101 N -0.01 0.06 -0.95 4.14 4.39 -1.92 -2.00 114.58 118.28 2pqe h GLU 101 Ca 0.04 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.89 2pqe h GLU 101 Cb 0.07 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.61 2pqe h GLU 101 CO -0.09 0.27 0.56 0.00 -1.16 0.00 0.00 179.01 178.59 2pqe h ALA 102 N 0.78 1.51 0.05 3.43 0.00 -1.17 0.70 119.26 124.57 2pqe h ALA 102 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pqe h ALA 102 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pqe h ALA 102 CO 0.00 -0.01 -0.02 -0.07 0.00 0.00 0.00 179.25 179.14 2pqe h LEU 103 N 0.76 -0.06 -0.14 0.00 3.38 -1.04 -1.93 115.31 116.27 2pqe h LEU 103 Ca 0.53 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2pqe h LEU 103 Cb 0.75 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2pqe h LEU 103 CO -0.36 0.34 0.05 0.58 0.09 0.00 0.00 178.44 179.14 2pqe h VAL 104 N -0.46 1.18 -0.29 1.22 2.07 -0.65 0.94 116.25 120.26 2pqe h VAL 104 Ca -0.01 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.02 2pqe h VAL 104 Cb 0.42 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2pqe h VAL 104 CO 0.01 0.17 0.20 -0.09 0.02 0.00 0.00 177.57 177.88 2pqe h ARG 105 N 0.05 0.15 0.00 1.57 1.12 0.33 -1.04 114.38 116.56 2pqe h ARG 105 Ca 0.05 -0.01 -0.21 0.00 -1.11 0.00 0.00 59.98 58.70 2pqe h ARG 105 Cb 0.22 -0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.11 2pqe h ARG 105 CO -0.00 0.10 -1.26 0.37 -3.11 0.00 0.00 179.97 176.07 2pqe h GLN 106 N 0.15 0.00 0.00 0.20 -0.00 -0.97 -3.46 115.11 111.03 2pqe h GLN 106 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 2pqe h GLN 106 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.80 2pqe h GLN 106 CO -0.02 0.56 0.00 0.41 0.00 0.00 0.00 178.83 179.79 2pqe n GLY 107 N 1.41 0.95 0.00 2.39 0.00 0.11 -4.23 105.19 105.82 2pqe n GLY 107 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2pqe n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pqe n LEU 108 N 0.00 0.00 -4.60 0.99 4.32 0.29 -0.63 117.00 117.37 2pqe n LEU 108 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 2pqe n LEU 108 Cb 0.00 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.70 2pqe n LEU 108 CO 0.00 0.00 -0.39 0.00 -1.22 0.00 0.00 177.39 175.78 2pqe s ALA 109 N -1.45 3.03 0.00 -1.18 0.00 -1.07 -4.58 121.76 116.51 2pqe s ALA 109 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 2pqe s ALA 109 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2pqe s ALA 109 CO 0.00 0.63 0.00 1.63 0.00 0.00 0.00 175.76 178.02 2pqe n LYS 110 N 1.17 2.13 -3.58 0.00 5.02 -0.30 -4.14 118.16 118.47 2pqe n LYS 110 Ca -0.14 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.74 2pqe n LYS 110 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.45 2pqe n LYS 110 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pqe s VAL 111 N 0.05 4.12 1.02 -0.18 1.01 -1.26 -2.04 120.40 123.11 2pqe s VAL 111 Ca 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.00 2pqe s VAL 111 Cb 0.00 -3.72 0.20 0.00 0.00 0.00 0.00 36.38 32.86 2pqe s VAL 111 CO 0.00 -0.77 1.17 0.00 0.00 0.00 0.00 175.10 175.49 2pqe s ALA 112 N 1.32 1.45 -0.29 5.51 0.00 -0.84 -4.85 121.76 124.06 2pqe s ALA 112 Ca 0.06 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 2pqe s ALA 112 Cb -0.26 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2pqe s ALA 112 CO -0.01 -2.76 -0.04 0.71 0.00 0.00 0.00 175.76 173.66 2pqe s TYR 113 N -3.30 3.26 -1.10 0.00 1.51 -1.26 -4.61 117.35 111.85 2pqe s TYR 113 Ca 0.68 -2.01 0.11 0.00 -1.01 0.00 0.00 57.07 54.84 2pqe s TYR 113 Cb -0.11 -2.05 0.48 0.00 -0.11 0.00 0.00 41.96 40.16 2pqe s TYR 113 CO 0.54 -0.83 1.31 1.55 -1.11 0.00 0.00 175.55 177.02 2pqe n VAL 114 N 4.56 1.31 0.00 0.71 3.14 -1.26 -4.94 118.33 121.85 2pqe n VAL 114 Ca -0.14 -0.78 0.00 0.00 -2.96 0.00 0.00 64.34 60.47 2pqe n VAL 114 Cb 0.43 -0.10 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 2pqe n VAL 114 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2pqe n TYR 115 N 0.57 0.00 0.00 1.45 4.01 -1.26 -4.61 117.16 117.32 2pqe n TYR 115 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2pqe n TYR 115 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 2pqe n TYR 115 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2pqe n LYS 116 N 0.00 0.00 0.00 -0.72 5.02 -1.26 -5.03 118.16 116.17 2pqe n LYS 116 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2pqe n LYS 116 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2pqe n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pqe n GLY 117 N -0.53 1.59 1.22 0.72 0.00 -1.26 -4.69 105.19 102.24 2pqe n GLY 117 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2pqe n GLY 117 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pqe n ASN 118 N 0.00 2.72 -3.48 1.61 4.13 -1.26 0.97 115.26 119.95 2pqe n ASN 118 Ca 0.00 -3.68 -0.37 0.00 1.68 0.00 0.00 54.58 52.21 2pqe n ASN 118 Cb 0.00 -0.64 -0.00 0.00 -1.54 0.00 0.00 39.78 37.59 2pqe n ASN 118 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2pqe n ASN 119 N -1.06 6.31 -0.07 6.41 3.02 -1.26 -4.67 115.26 123.95 2pqe n ASN 119 Ca 0.34 -3.65 -0.20 0.00 -0.03 0.00 0.00 54.58 51.05 2pqe n ASN 119 Cb 1.07 -0.99 -0.13 0.00 -0.61 0.00 0.00 39.78 39.12 2pqe n ASN 119 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2pqe n THR 120 N 0.09 1.63 -1.16 3.41 -1.04 -1.26 -4.35 114.28 111.60 2pqe n THR 120 Ca 0.39 -0.60 -0.03 0.00 -2.04 0.00 0.00 64.05 61.78 2pqe n THR 120 Cb 0.31 -1.58 0.25 0.00 -1.82 0.00 0.00 70.33 67.49 2pqe n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2pqe n HIS 121 N -3.40 1.72 -0.01 -1.42 8.25 -1.26 -4.64 115.22 114.46 2pqe n HIS 121 Ca -0.39 -1.28 0.22 0.00 -0.26 0.00 0.00 57.72 56.01 2pqe n HIS 121 Cb 1.01 -0.55 0.72 0.00 1.12 0.00 0.00 29.99 32.29 2pqe n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2pqe h GLU 122 N 1.83 0.00 -0.43 -0.41 4.81 -1.88 0.99 114.58 119.48 2pqe h GLU 122 Ca 0.21 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2pqe h GLU 122 Cb 1.95 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.32 2pqe h GLU 122 CO 0.53 0.00 -0.09 -0.56 -0.73 0.00 0.00 179.01 178.16 2pqe h GLN 123 N 0.00 0.77 0.00 1.92 3.07 -1.93 0.60 115.11 119.54 2pqe h GLN 123 Ca 0.27 -0.24 -0.00 0.00 0.09 0.00 0.00 58.65 58.77 2pqe h GLN 123 Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.69 2pqe h GLN 123 CO -0.00 0.84 -0.00 -0.07 0.09 0.00 0.00 178.83 179.68 2pqe h LEU 124 N 0.70 -0.00 -0.21 0.06 3.38 -1.18 -1.90 115.31 116.15 2pqe h LEU 124 Ca 0.12 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2pqe h LEU 124 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2pqe h LEU 124 CO 0.03 0.49 0.07 -0.07 0.09 0.00 0.00 178.44 179.06 2pqe h LEU 125 N -0.51 0.31 -1.08 1.67 4.07 -1.47 -2.35 115.31 115.96 2pqe h LEU 125 Ca -0.00 -0.20 0.05 0.00 0.08 0.00 0.00 57.88 57.81 2pqe h LEU 125 Cb 0.50 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 2pqe h LEU 125 CO 0.00 0.43 0.62 0.03 -1.08 0.00 0.00 178.44 178.44 2pqe h ARG 126 N 0.18 1.12 -0.16 1.13 2.47 -0.95 -1.26 114.38 116.91 2pqe h ARG 126 Ca 0.07 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2pqe h ARG 126 Cb 0.23 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2pqe h ARG 126 CO -0.00 0.74 0.08 0.87 0.56 0.00 0.00 179.97 182.22 2pqe h LYS 127 N 1.15 0.23 -0.48 0.04 6.56 -1.11 -0.25 116.57 122.71 2pqe h LYS 127 Ca 0.39 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.93 2pqe h LYS 127 Cb 0.08 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 2pqe h LYS 127 CO -0.13 0.26 0.22 0.66 -2.06 0.00 0.00 179.45 178.40 2pqe h SER 128 N 0.15 0.60 0.07 0.86 4.64 -0.92 -2.16 113.55 116.79 2pqe h SER 128 Ca 0.06 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pqe h SER 128 Cb 0.10 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2pqe h SER 128 CO -0.01 0.52 -0.03 -0.08 -0.87 0.00 0.00 176.83 176.35 2pqe h GLU 129 N 0.67 -0.09 -0.43 4.77 4.81 -0.86 -1.69 114.58 121.75 2pqe h GLU 129 Ca 0.17 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2pqe h GLU 129 Cb 0.08 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 2pqe h GLU 129 CO -0.02 0.32 -0.02 0.00 -0.73 0.00 0.00 179.01 178.56 2pqe h ALA 130 N 0.35 0.38 -0.25 2.92 0.00 -0.84 0.92 119.26 122.73 2pqe h ALA 130 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pqe h ALA 130 Cb 0.45 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2pqe h ALA 130 CO 0.02 -0.40 0.11 1.96 0.00 0.00 0.00 179.25 180.94 2pqe h GLN 131 N 0.09 0.36 -0.58 0.00 4.20 -1.43 1.19 115.11 118.94 2pqe h GLN 131 Ca 0.21 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2pqe h GLN 131 Cb 0.31 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2pqe h GLN 131 CO -0.37 0.37 0.06 0.00 -0.67 0.00 0.00 178.83 178.22 2pqe h ALA 132 N 0.97 1.01 0.01 3.87 0.00 -0.65 0.60 119.26 125.07 2pqe h ALA 132 Ca 0.08 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 2pqe h ALA 132 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2pqe h ALA 132 CO -0.01 0.62 -0.96 -0.22 0.00 0.00 0.00 179.25 178.68 2pqe h LYS 133 N 0.90 0.43 0.00 0.00 3.11 0.11 0.68 116.57 121.80 2pqe h LYS 133 Ca 0.18 -0.47 -0.16 0.00 -2.81 0.00 0.00 60.65 57.39 2pqe h LYS 133 Cb 0.44 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.79 2pqe h LYS 133 CO 0.02 1.13 -0.75 -0.22 -2.81 0.00 0.00 179.45 176.82 2pqe h LYS 134 N 0.24 0.00 0.00 1.90 3.64 0.17 -3.25 116.57 119.27 2pqe h LYS 134 Ca -0.09 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 2pqe h LYS 134 Cb 1.60 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 2pqe h LYS 134 CO 0.17 0.75 -1.75 0.39 -2.27 0.00 0.00 179.45 176.74 2pqe n GLU 135 N -3.54 0.65 -2.93 1.90 1.02 0.21 -5.03 120.64 112.91 2pqe n GLU 135 Ca -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2pqe n GLU 135 Cb 0.75 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2pqe n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pqe n LYS 136 N -2.59 -1.23 0.00 3.49 4.76 0.24 -5.01 118.16 117.82 2pqe n LYS 136 Ca -0.10 1.40 0.00 0.00 -2.87 0.00 0.00 58.31 56.74 2pqe n LYS 136 Cb 0.75 -5.40 0.00 0.00 -1.84 0.00 0.00 35.03 28.54 2pqe n LYS 136 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pqe n LEU 137 N -1.74 1.66 0.00 -0.35 4.77 -1.08 -4.61 117.00 115.65 2pqe n LEU 137 Ca -0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2pqe n LEU 137 Cb 0.50 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2pqe n LEU 137 CO 0.48 -0.20 0.00 0.59 -1.33 0.00 0.00 177.39 176.94 2pqe n ASN 138 N -1.10 0.00 -0.32 -1.43 5.03 -1.26 -4.67 115.26 111.52 2pqe n ASN 138 Ca 0.00 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.58 2pqe n ASN 138 Cb 0.00 0.00 0.31 0.00 -1.02 0.00 0.00 39.78 39.07 2pqe n ASN 138 CO 0.00 0.00 0.00 0.16 -1.83 0.00 0.00 177.26 175.59 2pqe h ILE 139 N 0.00 0.57 -0.90 2.41 3.07 -1.19 0.27 117.51 121.74 2pqe h ILE 139 Ca 0.00 -0.18 -0.53 0.00 1.55 0.00 0.00 64.86 65.70 2pqe h ILE 139 Cb 0.00 -0.01 -0.27 0.00 -0.27 0.00 0.00 36.82 36.27 2pqe h ILE 139 CO 0.00 0.10 0.67 0.79 -1.05 0.00 0.00 178.15 178.66 2pqe n TRP 140 N -4.94 2.84 -1.84 0.16 5.03 -1.26 -4.21 117.44 113.21 2pqe n TRP 140 Ca 0.22 -2.16 0.05 0.00 3.03 0.00 0.00 57.50 58.65 2pqe n TRP 140 Cb 0.62 -1.07 0.14 0.00 -1.03 0.00 0.00 31.31 29.96 2pqe n TRP 140 CO 0.00 0.00 0.00 -1.13 -0.03 0.00 0.00 177.69 176.53 2pqe n SER 141 N -0.87 1.47 -1.05 -0.99 3.41 0.96 -4.19 113.62 112.36 2pqe n SER 141 Ca 0.55 -3.17 -0.06 0.00 -0.26 0.00 0.00 58.87 55.93 2pqe n SER 141 Cb 1.20 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 64.67 2pqe n SER 141 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2pqe n GLU 142 N -0.61 0.07 -0.78 4.33 0.28 -1.26 -4.95 120.64 117.73 2pqe n GLU 142 Ca 0.14 -0.92 -0.29 0.00 -0.16 0.00 0.00 57.16 55.93 2pqe n GLU 142 Cb 0.82 0.49 0.24 0.00 1.43 0.00 0.00 31.44 34.42 2pqe n GLU 142 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2pqe s ASP 143 N -0.92 1.10 -0.17 -1.84 1.47 -1.26 -5.08 116.67 109.98 2pqe s ASP 143 Ca 0.00 1.19 -0.27 0.00 1.18 0.00 0.00 52.55 54.65 2pqe s ASP 143 Cb 0.02 -1.82 0.07 0.00 -0.34 0.00 0.00 42.92 40.85 2pqe s ASP 143 CO -0.01 -4.08 0.69 0.21 0.68 0.00 0.00 175.17 172.66 2pqe s ASN 144 N -3.06 -0.69 0.24 2.11 3.84 -1.26 -5.17 114.94 110.95 2pqe s ASN 144 Ca 0.68 1.09 -0.13 0.00 0.21 0.00 0.00 52.86 54.71 2pqe s ASN 144 Cb -0.20 1.03 -0.08 0.00 -0.55 0.00 0.00 41.25 41.46 2pqe s ASN 144 CO 0.61 -0.41 0.62 0.00 -2.79 0.00 0.00 177.10 175.13 2pqe s ALA 145 N -0.33 3.48 -0.03 1.71 0.00 -1.26 -4.78 121.76 120.55 2pqe s ALA 145 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 2pqe s ALA 145 Cb -0.03 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.51 2pqe s ALA 145 CO 0.05 0.42 0.06 -0.25 0.00 0.00 0.00 175.76 176.04 2pqe n ASP 146 N 0.09 -7.33 -4.53 0.00 9.92 -1.26 -4.81 116.55 108.63 2pqe n ASP 146 Ca -0.00 1.71 -0.42 0.00 -0.53 0.00 0.00 54.79 55.55 2pqe n ASP 146 Cb 0.52 -5.14 -0.03 0.00 -0.64 0.00 0.00 41.12 35.83 2pqe n ASP 146 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2pqe s SER 147 N -0.60 6.40 0.00 -2.24 0.01 -1.26 -4.90 113.70 111.11 2pqe s SER 147 Ca -0.07 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 55.95 2pqe s SER 147 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2pqe s SER 147 CO 0.18 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2pqe n GLY 148 N 6.14 1.22 0.00 3.44 0.00 -1.26 -5.29 105.19 109.44 2pqe n GLY 148 Ca 0.20 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2pqe n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26