#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyi n PRO 2 N 0.00 0.31 -0.36 0.00 -0.04 -1.26 -4.74 135.00 128.91 1wyi n PRO 2 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1wyi n PRO 2 Cb 0.00 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 1wyi n PRO 2 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wyi n SER 3 N 12.31 4.60 -4.67 3.54 3.41 -1.26 -4.88 113.62 126.67 1wyi n SER 3 Ca 0.45 -2.26 -0.43 0.00 -0.26 0.00 0.00 58.87 56.38 1wyi n SER 3 Cb 0.44 -0.94 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 1wyi n SER 3 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wyi s ARG 4 N 0.05 4.25 0.02 4.33 0.52 -1.26 -4.97 118.95 121.89 1wyi s ARG 4 Ca 0.00 1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 56.63 1wyi s ARG 4 Cb 0.00 -3.73 -0.07 0.00 0.52 0.00 0.00 34.95 31.67 1wyi s ARG 4 CO 0.00 -0.66 1.54 0.21 0.02 0.00 0.00 175.30 176.41 1wyi s LYS 5 N 3.22 4.23 0.12 3.54 2.20 -1.26 -4.91 119.74 126.88 1wyi s LYS 5 Ca 0.57 2.15 -0.35 0.00 -0.36 0.00 0.00 55.97 57.98 1wyi s LYS 5 Cb -0.24 -3.64 -0.16 0.00 -1.51 0.00 0.00 37.83 32.28 1wyi s LYS 5 CO 0.18 -0.68 1.32 0.34 -0.36 0.00 0.00 175.35 176.15 1wyi n PHE 6 N 5.72 1.55 -4.74 4.03 7.35 -1.20 -4.73 117.46 125.43 1wyi n PHE 6 Ca 0.15 0.61 -0.33 0.00 -0.76 0.00 0.00 57.45 57.12 1wyi n PHE 6 Cb 0.42 -2.34 -0.16 0.00 0.35 0.00 0.00 39.48 37.75 1wyi n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1wyi s PHE 7 N 0.33 2.68 -0.23 -5.13 5.36 -0.65 0.80 117.98 121.13 1wyi s PHE 7 Ca 0.80 -1.21 -0.02 0.00 -0.96 0.00 0.00 56.93 55.54 1wyi s PHE 7 Cb -0.89 -1.81 0.07 0.00 -0.34 0.00 0.00 43.02 40.05 1wyi s PHE 7 CO 0.47 -0.54 0.04 0.54 -1.46 0.00 0.00 175.22 174.27 1wyi s VAL 8 N 0.72 0.80 0.11 3.12 0.11 0.17 -0.42 120.40 125.01 1wyi s VAL 8 Ca -0.09 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.08 1wyi s VAL 8 Cb -0.16 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 1wyi s VAL 8 CO 0.01 -0.32 0.21 -0.83 -3.33 0.00 0.00 175.10 170.84 1wyi s GLY 9 N 1.71 1.92 -0.34 6.54 0.00 -0.41 -0.84 107.32 115.90 1wyi s GLY 9 Ca 0.01 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.78 1wyi s GLY 9 CO -0.12 -0.98 0.07 -0.32 0.00 0.00 0.00 173.10 171.75 1wyi s GLY 10 N -2.84 1.78 -0.94 0.20 0.00 0.29 -0.86 107.32 104.95 1wyi s GLY 10 Ca 0.33 -2.40 -0.21 0.00 0.00 0.00 0.00 44.72 42.45 1wyi s GLY 10 CO 0.27 1.09 1.24 0.21 0.00 0.00 0.00 173.10 175.90 1wyi s ASN 11 N 0.98 6.54 0.33 1.64 2.47 0.21 -0.32 114.94 126.79 1wyi s ASN 11 Ca 0.11 -1.71 0.24 0.00 0.42 0.00 0.00 52.86 51.91 1wyi s ASN 11 Cb -0.19 -2.47 1.20 0.00 -1.45 0.00 0.00 41.25 38.35 1wyi s ASN 11 CO -0.11 -1.27 1.72 -0.50 -3.72 0.00 0.00 177.10 173.22 1wyi h TRP 12 N 9.27 0.00 0.00 0.43 6.55 -1.71 -3.40 115.95 127.08 1wyi h TRP 12 Ca 0.13 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.97 1wyi h TRP 12 Cb 1.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 1wyi h TRP 12 CO 1.19 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 180.21 1wyi n LYS 13 N -2.32 0.00 -2.85 0.49 5.02 -1.26 -3.25 118.16 114.00 1wyi n LYS 13 Ca -0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1wyi n LYS 13 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.11 1wyi n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1wyi n MET 14 N 4.14 3.92 -3.87 1.97 0.00 -1.26 -3.86 117.12 118.16 1wyi n MET 14 Ca 0.00 -4.13 -0.11 0.00 -0.00 0.00 0.00 57.70 53.45 1wyi n MET 14 Cb 0.00 -2.71 -0.12 0.00 0.00 0.00 0.00 33.22 30.39 1wyi n MET 14 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1wyi s ASN 15 N 0.14 -0.02 0.00 6.12 0.01 -1.20 -5.11 114.94 114.88 1wyi s ASN 15 Ca 0.35 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1wyi s ASN 15 Cb 0.03 0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.90 1wyi s ASN 15 CO 0.03 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 1wyi n GLY 16 N 2.30 0.59 3.40 0.66 0.00 -1.26 -4.74 105.19 106.15 1wyi n GLY 16 Ca -0.17 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 1wyi n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wyi s ARG 17 N -2.25 1.48 0.25 1.61 1.81 -1.26 -4.94 118.95 115.65 1wyi s ARG 17 Ca 0.00 -1.52 -0.13 0.00 -1.72 0.00 0.00 55.73 52.35 1wyi s ARG 17 Cb 0.00 0.38 0.34 0.00 -0.45 0.00 0.00 34.95 35.22 1wyi s ARG 17 CO 0.00 -0.57 1.56 0.87 -0.68 0.00 0.00 175.30 176.48 1wyi h LYS 18 N 2.37 -0.00 0.24 3.54 1.79 -1.98 0.50 116.57 123.02 1wyi h LYS 18 Ca -0.30 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1wyi h LYS 18 Cb 1.25 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 1wyi h LYS 18 CO 0.43 -0.00 -0.33 0.37 -1.08 0.00 0.00 179.45 178.84 1wyi h GLN 19 N -0.00 -0.57 -0.25 3.15 5.75 -1.98 1.33 115.11 122.53 1wyi h GLN 19 Ca 0.41 0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.84 1wyi h GLN 19 Cb 0.66 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1wyi h GLN 19 CO -0.99 -0.38 -0.30 0.66 -2.65 0.00 0.00 178.83 175.17 1wyi h SER 20 N -0.59 0.53 -0.16 -0.69 4.64 -1.84 -1.16 113.55 114.28 1wyi h SER 20 Ca -0.03 -0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.01 1wyi h SER 20 Cb 0.54 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1wyi h SER 20 CO -0.09 0.80 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.37 1wyi h LEU 21 N 0.45 0.48 -1.36 5.97 4.07 0.11 -0.97 115.31 124.05 1wyi h LEU 21 Ca 0.06 -0.52 0.02 0.00 0.08 0.00 0.00 57.88 57.51 1wyi h LEU 21 Cb 0.75 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.32 1wyi h LEU 21 CO 0.06 0.91 0.44 1.23 -1.08 0.00 0.00 178.44 180.00 1wyi h GLY 22 N 0.06 0.93 1.43 0.83 0.00 0.18 0.21 103.07 106.71 1wyi h GLY 22 Ca 0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1wyi h GLY 22 CO 0.05 0.31 -0.05 -2.09 0.00 0.00 0.00 176.54 174.77 1wyi h GLU 23 N 0.86 0.69 -0.06 4.80 4.81 -1.03 -0.61 114.58 124.04 1wyi h GLU 23 Ca 0.25 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1wyi h GLU 23 Cb -0.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1wyi h GLU 23 CO -0.06 0.74 -0.05 1.25 -0.73 0.00 0.00 179.01 180.16 1wyi h LEU 24 N 0.64 0.15 -1.95 1.64 5.85 0.35 -2.76 115.31 119.23 1wyi h LEU 24 Ca 0.12 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1wyi h LEU 24 Cb 0.47 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1wyi h LEU 24 CO 0.02 0.58 0.12 0.40 -0.34 0.00 0.00 178.44 179.22 1wyi h ILE 25 N -0.28 0.95 -0.53 4.05 2.04 -0.44 -1.82 117.51 121.49 1wyi h ILE 25 Ca 0.01 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1wyi h ILE 25 Cb 0.53 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1wyi h ILE 25 CO 0.01 0.01 0.17 1.23 0.00 0.00 0.00 178.15 179.57 1wyi h GLY 26 N 0.07 0.88 0.95 5.37 0.00 -0.83 0.14 103.07 109.65 1wyi h GLY 26 Ca 0.07 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1wyi h GLY 26 CO -0.01 0.49 0.18 -0.84 0.00 0.00 0.00 176.54 176.36 1wyi h THR 27 N 0.73 1.19 -0.16 4.70 2.02 -1.12 -0.26 112.91 120.00 1wyi h THR 27 Ca 0.17 -0.59 -0.17 0.00 0.77 0.00 0.00 66.41 66.60 1wyi h THR 27 Cb 0.27 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1wyi h THR 27 CO -0.01 0.22 -0.56 -0.07 0.37 0.00 0.00 175.52 175.48 1wyi h LEU 28 N 0.55 0.77 -1.41 2.58 3.38 -1.41 0.13 115.31 119.90 1wyi h LEU 28 Ca 0.14 -0.60 0.11 0.00 0.09 0.00 0.00 57.88 57.62 1wyi h LEU 28 Cb 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1wyi h LEU 28 CO -0.01 1.24 0.50 0.78 0.09 0.00 0.00 178.44 181.04 1wyi h ASN 29 N 0.34 0.59 0.07 -0.43 4.21 -0.61 0.15 115.58 119.89 1wyi h ASN 29 Ca -0.02 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1wyi h ASN 29 Cb 1.18 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1wyi h ASN 29 CO 0.12 0.34 -0.11 0.00 -1.29 0.00 0.00 177.43 176.49 1wyi n ALA 30 N -2.46 2.77 -2.00 -0.83 0.00 -0.12 -4.90 120.51 112.98 1wyi n ALA 30 Ca 0.13 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.85 1wyi n ALA 30 Cb 0.36 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.76 1wyi n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wyi s ALA 31 N -2.19 3.29 -0.41 0.00 0.00 0.51 -5.05 121.76 117.92 1wyi s ALA 31 Ca 0.32 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1wyi s ALA 31 Cb 0.20 -2.55 0.11 0.00 0.00 0.00 0.00 23.12 20.89 1wyi s ALA 31 CO 0.40 -1.03 0.14 -1.59 0.00 0.00 0.00 175.76 173.68 1wyi s LYS 32 N -5.09 1.55 0.19 0.00 -2.85 -1.26 -4.96 119.74 107.31 1wyi s LYS 32 Ca 0.57 -2.06 -0.30 0.00 -1.00 0.00 0.00 55.97 53.19 1wyi s LYS 32 Cb -0.11 -3.04 -0.08 0.00 -2.06 0.00 0.00 37.83 32.55 1wyi s LYS 32 CO 0.44 -1.02 1.06 0.54 0.10 0.00 0.00 175.35 176.47 1wyi s VAL 33 N 0.53 3.92 0.15 1.79 0.11 -1.26 -4.98 120.40 120.66 1wyi s VAL 33 Ca 0.13 1.71 -0.34 0.00 -2.93 0.00 0.00 61.98 60.55 1wyi s VAL 33 Cb -0.22 -4.09 -0.14 0.00 -1.53 0.00 0.00 36.38 30.40 1wyi s VAL 33 CO -0.06 0.32 1.52 -2.65 -3.33 0.00 0.00 175.10 170.90 1wyi n PRO 34 N 2.17 1.97 0.00 1.54 -0.02 -1.26 -4.81 135.00 134.59 1wyi n PRO 34 Ca 0.02 0.71 0.01 0.00 -2.02 0.00 0.00 63.50 62.22 1wyi n PRO 34 Cb 0.46 -2.45 0.05 0.00 -0.02 0.00 0.00 33.50 31.55 1wyi n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wyi n ALA 35 N 3.14 1.39 -0.03 3.55 0.00 -1.26 -0.55 120.51 126.75 1wyi n ALA 35 Ca 0.17 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1wyi n ALA 35 Cb 0.27 -1.03 0.15 0.00 0.00 0.00 0.00 19.45 18.84 1wyi n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wyi n ASP 36 N -1.20 2.85 -4.26 0.00 5.68 -1.26 -4.96 116.55 113.40 1wyi n ASP 36 Ca 0.01 -1.89 -0.27 0.00 -0.50 0.00 0.00 54.79 52.14 1wyi n ASP 36 Cb 0.01 -0.21 -0.15 0.00 -1.14 0.00 0.00 41.12 39.64 1wyi n ASP 36 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1wyi s THR 37 N -1.02 1.75 -0.28 2.12 -4.23 0.29 -3.28 115.64 110.98 1wyi s THR 37 Ca 0.24 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.58 1wyi s THR 37 Cb 0.13 -1.48 -0.02 0.00 1.34 0.00 0.00 72.50 72.47 1wyi s THR 37 CO 0.18 0.37 0.13 -0.70 -0.54 0.00 0.00 174.62 174.05 1wyi s GLU 38 N -0.84 3.52 -0.15 3.99 2.12 0.24 -4.76 118.70 122.81 1wyi s GLU 38 Ca 0.08 -0.59 -0.03 0.00 0.36 0.00 0.00 54.97 54.80 1wyi s GLU 38 Cb -0.09 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1wyi s GLU 38 CO 0.00 -0.31 -0.06 0.08 -0.54 0.00 0.00 175.26 174.44 1wyi s VAL 39 N 1.63 3.71 0.00 3.70 1.01 -1.26 0.45 120.40 129.65 1wyi s VAL 39 Ca 0.05 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.65 1wyi s VAL 39 Cb -0.16 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1wyi s VAL 39 CO 0.06 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1wyi s VAL 40 N 0.35 0.91 -0.12 2.92 1.01 -0.02 -2.40 120.40 123.05 1wyi s VAL 40 Ca -0.06 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1wyi s VAL 40 Cb -0.15 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1wyi s VAL 40 CO 0.04 0.19 -0.23 0.00 0.00 0.00 0.00 175.10 175.10 1wyi s ALA 42 N 0.59 3.64 0.75 0.00 0.00 0.56 -0.60 121.76 126.68 1wyi s ALA 42 Ca -0.13 -3.07 -0.11 0.00 0.00 0.00 0.00 51.96 48.65 1wyi s ALA 42 Cb -0.17 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.10 1wyi s ALA 42 CO 0.03 -2.08 1.09 -2.14 0.00 0.00 0.00 175.76 172.66 1wyi s PRO 43 N 0.39 2.52 0.59 0.00 0.02 -1.22 -2.33 135.00 134.97 1wyi s PRO 43 Ca 0.14 0.60 -0.19 0.00 0.02 0.00 0.00 61.00 61.57 1wyi s PRO 43 Cb -0.19 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.30 1wyi s PRO 43 CO -0.04 -1.30 0.96 -2.30 -0.33 0.00 0.00 177.00 173.98 1wyi n PRO 44 N -3.21 0.93 -0.23 5.54 -0.02 -1.25 -4.36 135.00 132.40 1wyi n PRO 44 Ca 0.07 0.36 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 1wyi n PRO 44 Cb 0.56 -2.15 0.46 0.00 -0.02 0.00 0.00 33.50 32.36 1wyi n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1wyi h THR 45 N 0.58 0.76 0.00 3.45 2.02 -1.94 0.70 112.91 118.48 1wyi h THR 45 Ca -0.48 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1wyi h THR 45 Cb 1.36 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1wyi h THR 45 CO 0.51 0.09 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1wyi n ALA 46 N -2.48 1.70 -0.85 6.16 0.00 -1.26 -3.25 120.51 120.53 1wyi n ALA 46 Ca 0.17 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1wyi n ALA 46 Cb 0.57 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.86 1wyi n ALA 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wyi n TYR 47 N -1.84 0.24 -0.12 0.00 4.01 0.23 -4.69 117.16 114.99 1wyi n TYR 47 Ca 0.03 -0.87 -0.10 0.00 -0.16 0.00 0.00 57.90 56.80 1wyi n TYR 47 Cb 0.21 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1wyi n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1wyi h ILE 48 N 0.53 1.22 -0.06 -0.72 2.04 -1.52 0.25 117.51 119.26 1wyi h ILE 48 Ca 0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1wyi h ILE 48 Cb 1.01 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1wyi h ILE 48 CO 0.05 0.26 -0.05 -0.78 0.00 0.00 0.00 178.15 177.63 1wyi h ASP 49 N 0.43 0.15 0.15 1.72 3.58 -1.84 -1.34 116.42 119.28 1wyi h ASP 49 Ca 0.11 -0.47 0.02 0.00 0.42 0.00 0.00 57.03 57.11 1wyi h ASP 49 Cb 0.30 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1wyi h ASP 49 CO 0.00 0.58 -0.44 0.15 -2.88 0.00 0.00 179.24 176.66 1wyi h PHE 50 N -0.29 -1.23 -0.17 0.28 3.57 -1.82 -0.17 116.94 117.11 1wyi h PHE 50 Ca 0.01 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1wyi h PHE 50 Cb 0.54 0.52 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1wyi h PHE 50 CO 0.09 -0.54 -0.13 0.00 -2.23 0.00 0.00 178.31 175.50 1wyi h ALA 51 N -0.27 -0.01 -0.85 2.41 0.00 -0.51 -1.21 119.26 118.83 1wyi h ALA 51 Ca 0.01 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wyi h ALA 51 Cb 0.71 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1wyi h ALA 51 CO -0.23 -0.57 0.55 -0.09 0.00 0.00 0.00 179.25 178.92 1wyi h ARG 52 N -0.14 0.93 -0.42 0.00 9.65 -0.96 1.30 114.38 124.75 1wyi h ARG 52 Ca 0.10 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.81 1wyi h ARG 52 Cb 0.29 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 1wyi h ARG 52 CO -0.25 0.62 -0.21 1.96 2.80 0.00 0.00 179.97 184.89 1wyi h GLN 53 N 0.96 0.88 0.00 0.20 4.20 -0.46 -3.11 115.11 117.78 1wyi h GLN 53 Ca 0.36 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1wyi h GLN 53 Cb 0.19 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1wyi h GLN 53 CO -0.13 1.03 -0.61 0.87 -0.67 0.00 0.00 178.83 179.32 1wyi h LYS 54 N 0.70 0.00 -6.68 1.46 1.79 -0.67 -3.46 116.57 109.70 1wyi h LYS 54 Ca 0.09 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.05 1wyi h LYS 54 Cb 0.77 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1wyi h LYS 54 CO 0.06 0.00 0.47 -0.51 -1.08 0.00 0.00 179.45 178.39 1wyi s LEU 55 N -5.65 4.51 0.20 2.94 2.01 0.44 -4.93 118.68 118.20 1wyi s LEU 55 Ca 0.02 2.10 -0.31 0.00 0.01 0.00 0.00 54.13 55.96 1wyi s LEU 55 Cb 0.08 -3.61 -0.10 0.00 0.01 0.00 0.00 46.19 42.57 1wyi s LEU 55 CO 0.74 -0.18 1.56 -0.62 1.01 0.00 0.00 176.35 178.86 1wyi s ASP 56 N -0.29 6.55 0.63 2.29 2.15 -1.26 -4.84 116.67 121.90 1wyi s ASP 56 Ca 0.48 2.69 0.12 0.00 0.43 0.00 0.00 52.55 56.27 1wyi s ASP 56 Cb -0.29 -2.60 0.64 0.00 -0.30 0.00 0.00 42.92 40.36 1wyi s ASP 56 CO 0.36 -0.83 1.34 1.55 -0.17 0.00 0.00 175.17 177.42 1wyi h PRO 57 N 6.23 0.00 -0.05 4.34 0.13 -1.94 0.19 132.00 140.90 1wyi h PRO 57 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1wyi h PRO 57 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wyi h PRO 57 CO 0.88 0.00 -0.50 1.57 -0.23 0.00 0.00 178.00 179.72 1wyi h LYS 58 N 0.00 0.14 -5.65 0.86 2.10 -1.99 -3.42 116.57 108.61 1wyi h LYS 58 Ca 0.00 -0.08 -0.62 0.00 -2.00 0.00 0.00 60.65 57.95 1wyi h LYS 58 Cb 1.41 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.66 1wyi h LYS 58 CO 0.00 0.61 -0.35 0.42 -2.00 0.00 0.00 179.45 178.13 1wyi s ILE 59 N -3.93 5.30 0.36 0.07 1.01 0.65 -4.82 121.20 119.85 1wyi s ILE 59 Ca -0.03 0.50 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 1wyi s ILE 59 Cb 0.13 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 1wyi s ILE 59 CO 0.77 0.51 0.66 0.00 0.00 0.00 0.00 174.94 176.88 1wyi s ALA 60 N -0.35 3.50 -0.05 9.38 0.00 -1.01 -4.74 121.76 128.49 1wyi s ALA 60 Ca 0.17 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1wyi s ALA 60 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1wyi s ALA 60 CO 0.06 0.04 -0.00 0.08 0.00 0.00 0.00 175.76 175.94 1wyi s VAL 61 N -2.30 4.21 -0.02 0.00 1.01 -1.26 -1.66 120.40 120.38 1wyi s VAL 61 Ca 0.47 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1wyi s VAL 61 Cb -0.10 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1wyi s VAL 61 CO 0.33 0.52 -0.11 0.00 0.00 0.00 0.00 175.10 175.84 1wyi s ALA 62 N -0.96 0.98 0.69 5.51 0.00 0.23 -2.17 121.76 126.03 1wyi s ALA 62 Ca 0.16 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1wyi s ALA 62 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1wyi s ALA 62 CO 0.05 0.20 1.06 0.00 0.00 0.00 0.00 175.76 177.08 1wyi s ALA 63 N -0.06 2.82 -2.83 0.00 0.00 -0.39 -3.41 121.76 117.89 1wyi s ALA 63 Ca 0.01 -0.13 0.25 0.00 0.00 0.00 0.00 51.96 52.09 1wyi s ALA 63 Cb -0.07 -3.09 0.48 0.00 0.00 0.00 0.00 23.12 20.44 1wyi s ALA 63 CO 0.00 -1.08 1.42 1.04 0.00 0.00 0.00 175.76 177.14 1wyi n GLN 64 N -3.01 2.11 0.00 0.00 6.02 -1.26 -0.76 117.38 120.48 1wyi n GLN 64 Ca 0.07 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 1wyi n GLN 64 Cb 0.55 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1wyi n GLN 64 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1wyi n ASN 65 N 0.96 0.00 -3.69 1.08 5.15 -1.23 -4.51 115.26 113.02 1wyi n ASN 65 Ca 0.16 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.15 1wyi n ASN 65 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1wyi n ASN 65 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wyi s TYR 67 N -2.24 1.93 -2.05 0.00 5.04 0.15 -4.94 117.35 115.23 1wyi s TYR 67 Ca 0.21 -0.68 0.17 0.00 -2.44 0.00 0.00 57.07 54.34 1wyi s TYR 67 Cb 0.02 -2.12 0.48 0.00 0.35 0.00 0.00 41.96 40.69 1wyi s TYR 67 CO -0.02 -0.61 1.40 0.36 -1.34 0.00 0.00 175.55 175.34 1wyi n LYS 68 N -1.88 2.20 -4.09 4.97 2.85 -1.26 -4.45 118.16 116.50 1wyi n LYS 68 Ca 0.06 -1.86 -0.14 0.00 -1.05 0.00 0.00 58.31 55.32 1wyi n LYS 68 Cb 0.62 -1.41 -0.12 0.00 -0.65 0.00 0.00 35.03 33.47 1wyi n LYS 68 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1wyi s VAL 69 N -1.34 0.65 0.25 0.58 1.01 -1.26 -4.82 120.40 115.47 1wyi s VAL 69 Ca 0.35 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1wyi s VAL 69 Cb 0.19 -0.69 0.17 0.00 0.00 0.00 0.00 36.38 36.04 1wyi s VAL 69 CO 0.25 -0.33 1.82 0.71 0.00 0.00 0.00 175.10 177.55 1wyi h THR 70 N 4.47 1.24 -3.17 3.92 1.35 -1.98 -3.42 112.91 115.33 1wyi h THR 70 Ca -0.37 -0.77 -0.05 0.00 -0.55 0.00 0.00 66.41 64.67 1wyi h THR 70 Cb 1.20 0.44 -0.14 0.00 -1.73 0.00 0.00 68.15 67.92 1wyi h THR 70 CO 0.41 0.31 -0.00 0.20 -0.25 0.00 0.00 175.52 176.18 1wyi s ASN 71 N -6.46 -0.34 0.00 5.36 0.01 -1.26 -4.63 114.94 107.62 1wyi s ASN 71 Ca -0.11 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1wyi s ASN 71 Cb 0.16 0.49 0.00 0.00 0.41 0.00 0.00 41.25 42.31 1wyi s ASN 71 CO 0.82 -0.83 0.00 0.61 -1.51 0.00 0.00 177.10 176.19 1wyi n GLY 72 N -0.05 0.24 3.08 0.66 0.00 -1.26 -5.01 105.19 102.84 1wyi n GLY 72 Ca -0.17 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1wyi n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyi n ALA 73 N -1.01 3.74 -3.20 4.61 0.00 -1.26 -4.66 120.51 118.74 1wyi n ALA 73 Ca 0.00 -3.46 -0.23 0.00 0.00 0.00 0.00 53.44 49.75 1wyi n ALA 73 Cb 0.00 -3.60 -0.06 0.00 0.00 0.00 0.00 19.45 15.80 1wyi n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wyi n PHE 74 N 7.90 0.57 -1.50 0.00 3.72 -1.26 -5.11 117.46 121.78 1wyi n PHE 74 Ca 0.50 -3.73 -0.54 0.00 -0.05 0.00 0.00 57.45 53.63 1wyi n PHE 74 Cb 0.41 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 1wyi n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1wyi n THR 75 N 0.94 0.68 0.00 4.37 -1.04 -1.26 -0.93 114.28 117.04 1wyi n THR 75 Ca 0.24 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1wyi n THR 75 Cb 0.54 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1wyi n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wyi n GLY 76 N 1.81 3.04 3.94 3.41 0.00 -1.26 -5.01 105.19 111.12 1wyi n GLY 76 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1wyi n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wyi s GLU 77 N -0.32 3.49 0.08 1.61 0.41 -0.11 -5.12 118.70 118.74 1wyi s GLU 77 Ca 0.00 -0.36 0.03 0.00 -0.41 0.00 0.00 54.97 54.23 1wyi s GLU 77 Cb 0.00 -2.69 -0.03 0.00 -1.78 0.00 0.00 34.13 29.62 1wyi s GLU 77 CO 0.00 0.19 -0.10 0.96 -0.49 0.00 0.00 175.26 175.83 1wyi s ILE 78 N -2.25 0.88 0.23 -1.63 -4.36 -1.26 -4.97 121.20 107.85 1wyi s ILE 78 Ca 0.39 -1.52 0.06 0.00 -0.26 0.00 0.00 60.65 59.33 1wyi s ILE 78 Cb -0.10 -1.22 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 1wyi s ILE 78 CO 0.35 -0.51 0.19 -0.94 0.24 0.00 0.00 174.94 174.27 1wyi s SER 79 N -2.25 5.58 0.57 4.36 1.04 -1.26 -0.68 113.70 121.07 1wyi s SER 79 Ca 0.02 -0.20 0.28 0.00 0.48 0.00 0.00 55.95 56.53 1wyi s SER 79 Cb -0.04 -1.45 1.50 0.00 0.10 0.00 0.00 66.02 66.13 1wyi s SER 79 CO 0.00 -0.02 1.98 -0.65 0.98 0.00 0.00 173.24 175.53 1wyi h PRO 80 N 1.68 0.00 -0.11 4.02 0.11 -1.82 -0.10 132.00 135.78 1wyi h PRO 80 Ca -0.49 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 1wyi h PRO 80 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1wyi h PRO 80 CO 0.61 0.00 -0.45 0.78 -0.21 0.00 0.00 178.00 178.73 1wyi h GLY 81 N 0.00 0.28 0.53 -0.55 0.00 -1.92 0.10 103.07 101.51 1wyi h GLY 81 Ca 0.20 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 1wyi h GLY 81 CO -0.00 0.25 -0.25 -0.33 0.00 0.00 0.00 176.54 176.21 1wyi h MET 82 N 0.21 0.21 -0.78 4.80 2.86 -1.37 0.47 114.93 121.33 1wyi h MET 82 Ca 0.01 -0.20 0.14 0.00 -2.06 0.00 0.00 59.70 57.60 1wyi h MET 82 Cb 0.89 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.50 1wyi h MET 82 CO 0.07 0.89 0.35 0.82 1.06 0.00 0.00 176.91 180.10 1wyi h ILE 83 N -0.39 0.70 -0.22 -1.22 2.04 -1.33 0.26 117.51 117.35 1wyi h ILE 83 Ca -0.03 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1wyi h ILE 83 Cb 0.96 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1wyi h ILE 83 CO 0.05 0.10 -0.10 0.11 0.00 0.00 0.00 178.15 178.30 1wyi h LYS 84 N 0.52 0.46 -0.39 2.37 1.57 -0.63 -1.70 116.57 118.77 1wyi h LYS 84 Ca 0.43 -0.20 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1wyi h LYS 84 Cb 0.61 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 1wyi h LYS 84 CO -0.38 0.74 0.48 0.22 -0.57 0.00 0.00 179.45 179.95 1wyi h ASP 85 N 0.17 0.00 -0.56 0.86 3.58 0.25 0.58 116.42 121.30 1wyi h ASP 85 Ca 0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1wyi h ASP 85 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1wyi h ASP 85 CO 0.03 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 1wyi n GLY 87 N 1.48 1.03 3.73 0.00 0.00 0.20 -4.67 105.19 106.97 1wyi n GLY 87 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1wyi n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyi s ALA 88 N -3.16 3.24 -1.17 4.61 0.00 -0.66 -4.67 121.76 119.94 1wyi s ALA 88 Ca 0.00 0.58 0.12 0.00 0.00 0.00 0.00 51.96 52.66 1wyi s ALA 88 Cb 0.00 -3.29 0.27 0.00 0.00 0.00 0.00 23.12 20.11 1wyi s ALA 88 CO 0.00 -0.05 1.18 0.25 0.00 0.00 0.00 175.76 177.13 1wyi n THR 89 N 2.90 0.73 -4.07 0.00 -2.24 -0.92 -3.81 114.28 106.86 1wyi n THR 89 Ca 0.03 -0.86 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 1wyi n THR 89 Cb 0.49 0.71 -0.09 0.00 -2.10 0.00 0.00 70.33 69.34 1wyi n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wyi s TRP 90 N -1.01 0.59 -0.11 4.78 0.52 -1.14 -0.80 118.94 121.77 1wyi s TRP 90 Ca 0.23 -1.04 -0.05 0.00 0.02 0.00 0.00 56.10 55.26 1wyi s TRP 90 Cb 0.13 -0.35 0.05 0.00 -1.15 0.00 0.00 33.47 32.15 1wyi s TRP 90 CO 0.17 -0.49 0.24 0.08 0.02 0.00 0.00 176.95 176.97 1wyi s VAL 91 N -3.97 -0.16 -0.12 4.03 1.01 -0.94 -1.26 120.40 118.99 1wyi s VAL 91 Ca 0.14 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 1wyi s VAL 91 Cb 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 1wyi s VAL 91 CO -0.05 0.08 0.93 -0.69 0.00 0.00 0.00 175.10 175.38 1wyi s VAL 92 N 1.66 4.83 0.01 2.92 1.01 0.06 -0.26 120.40 130.63 1wyi s VAL 92 Ca -0.06 1.87 0.06 0.00 0.00 0.00 0.00 61.98 63.85 1wyi s VAL 92 Cb -0.11 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1wyi s VAL 92 CO -0.08 0.03 -0.17 -0.76 0.00 0.00 0.00 175.10 174.11 1wyi s LEU 93 N 1.97 2.08 -0.18 3.92 1.43 0.12 -3.57 118.68 124.45 1wyi s LEU 93 Ca 0.44 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1wyi s LEU 93 Cb -0.18 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.18 1wyi s LEU 93 CO 0.16 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.53 1wyi n GLY 94 N 2.39 0.52 3.70 -3.19 0.00 -1.26 0.26 105.19 107.62 1wyi n GLY 94 Ca -0.16 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1wyi n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wyi n HIS 95 N -2.94 2.30 -0.34 1.61 -0.00 -1.26 -4.51 115.22 110.07 1wyi n HIS 95 Ca -0.02 0.55 0.22 0.00 0.46 0.00 0.00 57.72 58.92 1wyi n HIS 95 Cb 0.06 -2.42 0.46 0.00 -0.12 0.00 0.00 29.99 27.98 1wyi n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1wyi h SER 96 N 2.53 0.54 -0.72 0.26 4.64 -1.91 0.35 113.55 119.24 1wyi h SER 96 Ca -0.46 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 60.93 1wyi h SER 96 Cb 1.28 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 1wyi h SER 96 CO 0.62 0.06 0.29 -0.33 -0.87 0.00 0.00 176.83 176.61 1wyi h GLU 97 N 0.45 1.08 -0.27 4.77 5.08 -1.97 0.13 114.58 123.85 1wyi h GLU 97 Ca 0.64 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.74 1wyi h GLU 97 Cb 1.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1wyi h GLU 97 CO -0.40 0.88 -0.14 0.00 -1.00 0.00 0.00 179.01 178.35 1wyi h ARG 98 N 1.06 0.57 -0.24 2.33 2.47 -0.69 -1.47 114.38 118.41 1wyi h ARG 98 Ca 0.25 -0.25 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 1wyi h ARG 98 Cb 0.20 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1wyi h ARG 98 CO -0.02 0.82 -0.06 0.00 0.56 0.00 0.00 179.97 181.27 1wyi h ARG 99 N 0.30 0.47 0.00 0.04 3.08 -0.97 0.36 114.38 117.66 1wyi h ARG 99 Ca 0.06 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1wyi h ARG 99 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1wyi h ARG 99 CO 0.04 0.70 -0.11 0.45 -1.07 0.00 0.00 179.97 179.98 1wyi h HIS 100 N 0.21 0.00 -0.83 3.04 3.86 -0.81 -1.63 115.15 119.00 1wyi h HIS 100 Ca 0.06 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.41 1wyi h HIS 100 Cb 0.52 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.90 1wyi h HIS 100 CO 0.05 0.00 0.43 0.28 0.86 0.00 0.00 177.93 179.55 1wyi h VAL 101 N -0.27 0.76 -0.03 2.45 2.07 -1.43 -2.78 116.25 117.02 1wyi h VAL 101 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1wyi h VAL 101 Cb 0.11 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1wyi h VAL 101 CO 0.00 0.12 0.00 0.49 0.02 0.00 0.00 177.57 178.20 1wyi n PHE 102 N -4.86 0.01 -2.16 1.57 3.72 -0.86 -5.01 117.46 109.87 1wyi n PHE 102 Ca 0.16 -0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.41 1wyi n PHE 102 Cb 0.40 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 1wyi n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wyi n GLY 103 N 1.07 0.00 3.71 1.37 0.00 -0.64 -4.93 105.19 105.77 1wyi n GLY 103 Ca 0.11 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1wyi n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wyi s GLU 104 N -4.54 4.38 0.57 1.61 2.02 0.08 -4.94 118.70 117.89 1wyi s GLU 104 Ca 0.00 1.85 -0.08 0.00 0.02 0.00 0.00 54.97 56.77 1wyi s GLU 104 Cb 0.00 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.84 1wyi s GLU 104 CO 0.00 -0.36 0.92 -1.54 0.02 0.00 0.00 175.26 174.30 1wyi s SER 105 N 1.21 5.97 0.27 -0.19 1.04 -1.26 -4.29 113.70 116.45 1wyi s SER 105 Ca 0.60 1.02 -0.01 0.00 0.48 0.00 0.00 55.95 58.04 1wyi s SER 105 Cb -0.31 -2.12 0.37 0.00 0.10 0.00 0.00 66.02 64.07 1wyi s SER 105 CO 0.28 -0.88 1.79 0.44 0.98 0.00 0.00 173.24 175.85 1wyi h ASP 106 N -0.13 0.75 0.22 7.02 3.32 -1.97 0.21 116.42 125.84 1wyi h ASP 106 Ca -0.46 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.43 1wyi h ASP 106 Cb 1.22 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1wyi h ASP 106 CO 0.62 0.79 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.67 1wyi h GLU 107 N 0.75 -0.39 -0.60 3.56 4.81 -1.98 1.61 114.58 122.34 1wyi h GLU 107 Ca 0.16 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1wyi h GLU 107 Cb 0.38 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1wyi h GLU 107 CO 0.01 -0.26 0.21 1.25 -0.73 0.00 0.00 179.01 179.49 1wyi h LEU 108 N -0.40 0.86 -0.90 1.64 7.12 -1.91 -1.30 115.31 120.41 1wyi h LEU 108 Ca -0.01 -0.19 -0.03 0.00 0.13 0.00 0.00 57.88 57.78 1wyi h LEU 108 Cb 0.36 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.23 1wyi h LEU 108 CO -0.01 0.82 0.40 0.40 -0.13 0.00 0.00 178.44 179.92 1wyi h ILE 109 N 0.85 1.26 -0.10 4.05 2.04 -0.04 -1.18 117.51 124.40 1wyi h ILE 109 Ca 0.20 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1wyi h ILE 109 Cb 0.25 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1wyi h ILE 109 CO -0.01 0.31 -0.11 1.23 0.00 0.00 0.00 178.15 179.56 1wyi h GLY 110 N 1.20 0.16 1.82 5.37 0.00 0.29 -1.75 103.07 110.14 1wyi h GLY 110 Ca 0.29 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.32 1wyi h GLY 110 CO -0.04 0.08 -0.96 1.46 0.00 0.00 0.00 176.54 177.09 1wyi h GLN 111 N 0.14 0.16 -0.24 4.80 4.20 -0.36 -2.56 115.11 121.25 1wyi h GLN 111 Ca 0.03 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.36 1wyi h GLN 111 Cb 0.30 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wyi h GLN 111 CO 0.02 0.99 -0.58 0.87 -0.67 0.00 0.00 178.83 179.47 1wyi h LYS 112 N 0.07 0.75 0.01 1.46 1.57 -0.85 -1.68 116.57 117.91 1wyi h LYS 112 Ca -0.05 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1wyi h LYS 112 Cb 1.63 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.00 1wyi h LYS 112 CO 0.14 1.12 -0.00 0.28 -0.57 0.00 0.00 179.45 180.42 1wyi h VAL 113 N 0.57 1.03 -0.52 0.50 2.07 -1.35 0.93 116.25 119.48 1wyi h VAL 113 Ca 0.00 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1wyi h VAL 113 Cb 1.16 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1wyi h VAL 113 CO 0.12 0.03 0.11 0.00 0.02 0.00 0.00 177.57 177.85 1wyi h ALA 114 N 0.93 1.22 0.11 1.67 0.00 -1.44 -0.71 119.26 121.04 1wyi h ALA 114 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1wyi h ALA 114 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wyi h ALA 114 CO 0.00 0.54 -0.05 1.25 0.00 0.00 0.00 179.25 180.98 1wyi h HIS 115 N 0.77 -0.14 -0.62 0.00 6.17 -0.99 -0.87 115.15 119.46 1wyi h HIS 115 Ca 0.17 -0.00 0.12 0.00 0.71 0.00 0.00 60.37 61.37 1wyi h HIS 115 Cb 0.31 0.05 -0.12 0.00 2.52 0.00 0.00 27.41 30.16 1wyi h HIS 115 CO 0.02 0.35 -0.21 0.00 0.71 0.00 0.00 177.93 178.79 1wyi h ALA 116 N -0.28 0.29 -0.30 5.26 0.00 0.94 0.29 119.26 125.47 1wyi h ALA 116 Ca -0.02 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1wyi h ALA 116 Cb 0.55 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wyi h ALA 116 CO 0.03 -0.49 0.18 -0.07 0.00 0.00 0.00 179.25 178.89 1wyi h LEU 117 N -0.05 0.36 -1.57 0.00 3.38 -1.18 -1.66 115.31 114.59 1wyi h LEU 117 Ca 0.29 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1wyi h LEU 117 Cb 0.50 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1wyi h LEU 117 CO -0.67 0.31 0.38 0.00 0.09 0.00 0.00 178.44 178.55 1wyi h ALA 118 N 1.07 1.87 0.00 1.53 0.00 0.49 0.11 119.26 124.33 1wyi h ALA 118 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wyi h ALA 118 Cb 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1wyi h ALA 118 CO -0.02 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.65 1wyi n GLU 119 N -4.48 0.71 -2.51 0.00 -0.58 0.83 -4.84 120.64 109.78 1wyi n GLU 119 Ca 0.08 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.75 1wyi n GLU 119 Cb 0.26 -1.35 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1wyi n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wyi n GLY 120 N 0.36 0.30 3.44 0.62 0.00 0.38 -4.93 105.19 105.36 1wyi n GLY 120 Ca 0.12 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1wyi n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wyi s LEU 121 N -2.48 2.54 0.87 0.99 2.96 -0.89 -5.02 118.68 117.65 1wyi s LEU 121 Ca 0.10 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.50 1wyi s LEU 121 Cb -0.04 -1.49 0.12 0.00 0.50 0.00 0.00 46.19 45.27 1wyi s LEU 121 CO 0.12 0.28 1.09 -0.83 -1.32 0.00 0.00 176.35 175.70 1wyi s GLY 122 N -1.18 1.63 -0.12 7.98 0.00 0.02 -4.08 107.32 111.57 1wyi s GLY 122 Ca 0.13 0.06 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 1wyi s GLY 122 CO 0.03 0.51 0.19 0.14 0.00 0.00 0.00 173.10 173.97 1wyi s VAL 123 N -2.89 -0.30 -0.69 1.40 1.01 0.10 -2.21 120.40 116.82 1wyi s VAL 123 Ca 0.63 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 1wyi s VAL 123 Cb -0.18 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 35.89 1wyi s VAL 123 CO 0.57 0.06 0.93 -0.63 0.00 0.00 0.00 175.10 176.03 1wyi s ILE 124 N 2.32 4.52 -0.28 2.22 1.01 0.65 -2.52 121.20 129.12 1wyi s ILE 124 Ca 0.03 -0.74 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 1wyi s ILE 124 Cb -0.13 -4.65 -0.00 0.00 0.01 0.00 0.00 42.46 37.68 1wyi s ILE 124 CO -0.07 -1.39 0.79 0.00 0.00 0.00 0.00 174.94 174.27 1wyi s ALA 125 N 3.47 3.58 -0.10 9.38 0.00 -0.70 0.16 121.76 137.56 1wyi s ALA 125 Ca 0.21 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 1wyi s ALA 125 Cb -0.17 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1wyi s ALA 125 CO 0.06 -1.06 0.29 0.00 0.00 0.00 0.00 175.76 175.05 1wyi s ILE 127 N -0.35 0.57 0.00 0.00 -5.25 -0.20 -4.62 121.20 111.34 1wyi s ILE 127 Ca 0.18 -2.00 0.00 0.00 -0.99 0.00 0.00 60.65 57.84 1wyi s ILE 127 Cb -0.14 -2.49 0.00 0.00 2.95 0.00 0.00 42.46 42.78 1wyi s ILE 127 CO 0.07 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 173.83 1wyi n GLY 128 N -0.74 4.41 3.86 6.27 0.00 -1.26 0.75 105.19 118.48 1wyi n GLY 128 Ca -0.02 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1wyi n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wyi s GLU 129 N -2.89 3.74 1.25 1.61 1.03 -1.25 -4.84 118.70 117.36 1wyi s GLU 129 Ca 0.00 0.20 -0.21 0.00 0.03 0.00 0.00 54.97 54.99 1wyi s GLU 129 Cb 0.00 -3.16 0.31 0.00 -0.80 0.00 0.00 34.13 30.48 1wyi s GLU 129 CO 0.00 0.69 1.04 1.63 -1.33 0.00 0.00 175.26 177.29 1wyi n LYS 130 N 1.64 -3.41 0.07 -4.83 5.02 -1.26 -2.63 118.16 112.76 1wyi n LYS 130 Ca -0.14 -1.68 -0.13 0.00 -2.02 0.00 0.00 58.31 54.34 1wyi n LYS 130 Cb 0.53 -1.66 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1wyi n LYS 130 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wyi h LEU 131 N 0.00 -0.11 -1.21 -0.35 5.85 -1.83 -1.36 115.31 116.30 1wyi h LEU 131 Ca -0.40 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1wyi h LEU 131 Cb 1.25 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1wyi h LEU 131 CO 0.26 0.03 0.26 -2.24 -0.34 0.00 0.00 178.44 176.41 1wyi h ASP 132 N -0.24 0.73 0.12 1.25 2.03 -1.95 0.25 116.42 118.62 1wyi h ASP 132 Ca -0.01 -0.08 -0.08 0.00 -0.73 0.00 0.00 57.03 56.13 1wyi h ASP 132 Cb 0.20 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 38.50 1wyi h ASP 132 CO 0.02 0.64 -0.26 -0.33 -1.03 0.00 0.00 179.24 178.28 1wyi h GLU 133 N 0.81 0.23 0.00 4.15 5.08 -1.86 -1.67 114.58 121.32 1wyi h GLU 133 Ca 0.20 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 1wyi h GLU 133 Cb 0.11 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.36 1wyi h GLU 133 CO -0.02 0.48 -0.84 -0.09 -1.00 0.00 0.00 179.01 177.54 1wyi h ARG 134 N 0.21 0.56 -0.11 2.33 9.65 -0.07 -1.62 114.38 125.34 1wyi h ARG 134 Ca 0.03 -0.61 0.02 0.00 -1.10 0.00 0.00 59.98 58.32 1wyi h ARG 134 Cb 0.58 0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1wyi h ARG 134 CO 0.04 1.23 0.08 0.93 2.80 0.00 0.00 179.97 185.05 1wyi h GLU 135 N 0.15 0.05 0.00 0.20 4.39 -0.14 -1.32 114.58 117.91 1wyi h GLU 135 Ca -0.11 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 1wyi h GLU 135 Cb 1.53 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.15 1wyi h GLU 135 CO 0.17 0.03 -0.71 0.00 -1.16 0.00 0.00 179.01 177.33 1wyi h ALA 136 N 1.94 0.67 0.00 3.43 0.00 -1.31 -3.48 119.26 120.51 1wyi h ALA 136 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wyi h ALA 136 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wyi h ALA 136 CO -0.00 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1wyi n GLY 137 N 1.26 0.83 0.96 0.00 0.00 -0.50 -4.96 105.19 102.78 1wyi n GLY 137 Ca -0.01 -0.39 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1wyi n GLY 137 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wyi n ILE 138 N -2.33 0.97 -0.11 -0.61 2.08 -0.63 -4.53 119.36 114.20 1wyi n ILE 138 Ca 0.00 -0.60 -0.06 0.00 0.56 0.00 0.00 62.75 62.65 1wyi n ILE 138 Cb 0.01 -0.10 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 1wyi n ILE 138 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1wyi h THR 139 N 2.06 0.35 0.57 1.39 2.02 -1.88 0.37 112.91 117.79 1wyi h THR 139 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1wyi h THR 139 Cb 0.90 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1wyi h THR 139 CO 0.13 0.00 -0.27 -0.33 0.37 0.00 0.00 175.52 175.42 1wyi h GLU 140 N -0.18 -0.74 -0.20 6.66 5.08 -1.95 -0.68 114.58 122.58 1wyi h GLU 140 Ca 0.19 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1wyi h GLU 140 Cb 0.47 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1wyi h GLU 140 CO -0.49 -0.49 -0.46 -0.22 -1.00 0.00 0.00 179.01 176.35 1wyi h LYS 141 N -0.76 -0.42 -0.13 2.33 3.64 -1.79 0.91 116.57 120.35 1wyi h LYS 141 Ca -0.08 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1wyi h LYS 141 Cb 0.59 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 1wyi h LYS 141 CO 0.12 -0.28 -0.25 0.28 -2.27 0.00 0.00 179.45 177.06 1wyi h VAL 142 N -0.43 0.41 0.00 2.00 2.07 -0.90 -1.94 116.25 117.46 1wyi h VAL 142 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1wyi h VAL 142 Cb 0.54 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1wyi h VAL 142 CO -0.42 0.00 -0.15 0.58 0.02 0.00 0.00 177.57 177.61 1wyi h VAL 143 N -0.31 0.40 0.20 2.57 2.07 -0.91 -2.59 116.25 117.68 1wyi h VAL 143 Ca 0.10 -0.85 -0.32 0.00 0.82 0.00 0.00 66.70 66.44 1wyi h VAL 143 Cb 0.46 1.62 0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1wyi h VAL 143 CO -0.31 0.14 -1.38 -0.26 0.02 0.00 0.00 177.57 175.79 1wyi h PHE 144 N 0.00 1.01 -0.69 1.57 0.04 -0.48 -2.17 116.94 116.22 1wyi h PHE 144 Ca -0.00 -0.69 -0.02 0.00 2.80 0.00 0.00 57.97 60.07 1wyi h PHE 144 Cb 0.61 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 1wyi h PHE 144 CO 0.00 1.53 0.37 0.93 -0.60 0.00 0.00 178.31 180.54 1wyi h GLU 145 N 0.21 0.97 -0.22 1.51 5.08 -1.24 0.22 114.58 121.12 1wyi h GLU 145 Ca -0.23 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 57.92 1wyi h GLU 145 Cb 2.06 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1wyi h GLU 145 CO 0.26 0.74 -0.23 1.96 -1.00 0.00 0.00 179.01 180.74 1wyi h GLN 146 N 0.95 0.53 -0.77 2.33 4.20 -1.52 -2.49 115.11 118.35 1wyi h GLN 146 Ca 0.24 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1wyi h GLN 146 Cb 0.05 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1wyi h GLN 146 CO -0.04 0.87 0.26 1.15 -0.67 0.00 0.00 178.83 180.41 1wyi h THR 147 N 0.22 1.26 -0.35 -0.54 2.02 -1.25 -2.28 112.91 111.99 1wyi h THR 147 Ca 0.03 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.37 1wyi h THR 147 Cb 0.78 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1wyi h THR 147 CO 0.06 0.35 0.13 0.50 0.37 0.00 0.00 175.52 176.92 1wyi h LYS 148 N 1.13 0.27 -0.48 6.66 3.64 -0.49 0.58 116.57 127.88 1wyi h LYS 148 Ca 0.25 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1wyi h LYS 148 Cb 0.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1wyi h LYS 148 CO -0.01 0.18 0.32 0.28 -2.27 0.00 0.00 179.45 177.95 1wyi h VAL 149 N 0.28 1.11 -0.10 2.00 2.07 -1.20 0.30 116.25 120.71 1wyi h VAL 149 Ca 0.16 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 67.27 1wyi h VAL 149 Cb 0.13 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1wyi h VAL 149 CO -0.16 0.11 -0.75 0.40 0.02 0.00 0.00 177.57 177.20 1wyi h ILE 150 N 0.63 1.35 -0.33 4.57 2.04 -0.46 -3.06 117.51 122.25 1wyi h ILE 150 Ca 0.18 -2.10 -0.18 0.00 1.00 0.00 0.00 64.86 63.76 1wyi h ILE 150 Cb -0.03 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1wyi h ILE 150 CO -0.04 0.64 -0.48 0.00 0.00 0.00 0.00 178.15 178.26 1wyi h ALA 151 N 0.83 0.50 0.00 1.87 0.00 0.13 -2.52 119.26 120.08 1wyi h ALA 151 Ca -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 1wyi h ALA 151 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1wyi h ALA 151 CO 0.14 0.68 -0.08 -0.44 0.00 0.00 0.00 179.25 179.55 1wyi h ASP 152 N 0.72 0.00 -0.64 0.00 3.32 -0.48 -1.45 116.42 117.88 1wyi h ASP 152 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wyi h ASP 152 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1wyi h ASP 152 CO 0.11 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 1wyi n ASN 153 N -3.43 4.30 -4.02 6.45 3.02 -1.09 -4.84 115.26 115.65 1wyi n ASN 153 Ca -0.01 -2.27 -0.31 0.00 -0.03 0.00 0.00 54.58 51.96 1wyi n ASN 153 Cb 0.23 -0.52 -0.16 0.00 -0.61 0.00 0.00 39.78 38.72 1wyi n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wyi s VAL 154 N -1.50 1.79 -1.69 2.41 1.01 -0.55 -3.80 120.40 118.08 1wyi s VAL 154 Ca 0.48 -1.19 0.17 0.00 0.00 0.00 0.00 61.98 61.44 1wyi s VAL 154 Cb 0.29 -1.88 0.39 0.00 0.00 0.00 0.00 36.38 35.18 1wyi s VAL 154 CO 0.27 0.11 1.31 2.29 0.00 0.00 0.00 175.10 179.08 1wyi n LYS 155 N 4.61 2.44 -3.21 2.72 2.85 -1.26 -4.83 118.16 121.48 1wyi n LYS 155 Ca -0.15 -2.16 0.02 0.00 -1.05 0.00 0.00 58.31 54.98 1wyi n LYS 155 Cb 0.45 -1.41 -0.02 0.00 -0.65 0.00 0.00 35.03 33.41 1wyi n LYS 155 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1wyi s ASP 156 N -1.13 -1.19 0.00 -5.58 2.15 -1.26 -5.04 116.67 104.61 1wyi s ASP 156 Ca 0.33 0.86 0.30 0.00 0.43 0.00 0.00 52.55 54.47 1wyi s ASP 156 Cb 0.18 2.06 1.42 0.00 -0.30 0.00 0.00 42.92 46.28 1wyi s ASP 156 CO 0.24 -0.26 1.96 0.79 -0.17 0.00 0.00 175.17 177.73 1wyi n TRP 157 N 5.42 0.00 -0.19 -5.34 7.02 -1.26 -3.87 117.44 119.22 1wyi n TRP 157 Ca -0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.37 1wyi n TRP 157 Cb 0.51 -0.02 0.01 0.00 -2.42 0.00 0.00 31.31 29.39 1wyi n TRP 157 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1wyi h SER 158 N 1.16 0.79 -0.16 -0.99 0.02 -2.00 -2.81 113.55 109.56 1wyi h SER 158 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1wyi h SER 158 Cb 0.28 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wyi h SER 158 CO 0.00 0.80 0.00 0.29 -1.14 0.00 0.00 176.83 176.78 1wyi n LYS 159 N -4.45 1.41 -4.17 3.45 4.76 -1.25 -4.89 118.16 113.02 1wyi n LYS 159 Ca 0.02 -0.60 -0.16 0.00 -2.87 0.00 0.00 58.31 54.70 1wyi n LYS 159 Cb 0.21 -1.16 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 1wyi n LYS 159 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1wyi s VAL 160 N -1.75 1.00 0.04 -0.18 0.11 -1.06 0.01 120.40 118.57 1wyi s VAL 160 Ca 0.11 -1.43 0.01 0.00 -2.93 0.00 0.00 61.98 57.74 1wyi s VAL 160 Cb 0.06 -1.15 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1wyi s VAL 160 CO 0.07 -0.38 -0.06 0.68 -3.33 0.00 0.00 175.10 172.09 1wyi s VAL 161 N -1.77 0.41 -0.11 2.04 -7.23 -1.05 -4.60 120.40 108.10 1wyi s VAL 161 Ca 0.01 -1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.95 1wyi s VAL 161 Cb -0.07 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 1wyi s VAL 161 CO 0.01 -0.52 0.04 -0.76 -0.31 0.00 0.00 175.10 173.57 1wyi s LEU 162 N -1.82 3.79 -0.19 1.32 1.43 0.10 -1.71 118.68 121.60 1wyi s LEU 162 Ca -0.08 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1wyi s LEU 162 Cb -0.07 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.29 1wyi s LEU 162 CO -0.01 0.35 -0.12 0.00 0.23 0.00 0.00 176.35 176.80 1wyi s ALA 163 N -0.73 2.08 -0.15 4.21 0.00 -0.56 0.95 121.76 127.57 1wyi s ALA 163 Ca 0.12 -1.22 -0.21 0.00 0.00 0.00 0.00 51.96 50.66 1wyi s ALA 163 Cb -0.12 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 1wyi s ALA 163 CO 0.02 -0.72 0.61 -0.47 0.00 0.00 0.00 175.76 175.21 1wyi s TYR 164 N 1.37 3.45 -0.30 0.00 5.04 -0.22 -1.03 117.35 125.66 1wyi s TYR 164 Ca -0.00 0.99 -0.03 0.00 -2.44 0.00 0.00 57.07 55.58 1wyi s TYR 164 Cb -0.16 -2.74 0.04 0.00 0.35 0.00 0.00 41.96 39.45 1wyi s TYR 164 CO -0.09 -0.04 0.02 -1.21 -1.34 0.00 0.00 175.55 172.89 1wyi s GLU 165 N 1.37 2.64 -1.39 4.97 2.02 0.23 -0.10 118.70 128.43 1wyi s GLU 165 Ca 0.30 -1.14 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 1wyi s GLU 165 Cb -0.16 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 1wyi s GLU 165 CO 0.12 -0.56 2.39 -0.35 0.02 0.00 0.00 175.26 176.87 1wyi n PRO 166 N 4.70 2.87 0.17 0.39 -0.04 -1.26 -3.85 135.00 137.98 1wyi n PRO 166 Ca -0.14 -2.33 0.19 0.00 -0.04 0.00 0.00 63.50 61.18 1wyi n PRO 166 Cb 0.45 -3.06 0.76 0.00 -0.04 0.00 0.00 33.50 31.61 1wyi n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wyi h VAL 167 N 3.75 0.25 0.00 0.52 2.07 -1.88 0.37 116.25 121.33 1wyi h VAL 167 Ca 0.63 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.15 1wyi h VAL 167 Cb 0.51 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1wyi h VAL 167 CO 1.84 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 176.76 1wyi n TRP 168 N -3.44 0.51 -0.80 1.57 4.27 -1.08 -1.69 117.44 116.78 1wyi n TRP 168 Ca 0.04 0.21 0.08 0.00 -3.89 0.00 0.00 57.50 53.94 1wyi n TRP 168 Cb 0.55 -0.83 0.17 0.00 -1.36 0.00 0.00 31.31 29.83 1wyi n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wyi n ALA 169 N -1.68 2.48 -2.81 -1.67 0.00 0.13 -4.52 120.51 112.44 1wyi n ALA 169 Ca 0.02 -2.13 -0.40 0.00 0.00 0.00 0.00 53.44 50.94 1wyi n ALA 169 Cb 0.19 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.07 1wyi n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wyi s ILE 170 N -2.40 4.65 -1.31 0.00 1.01 -0.68 -4.61 121.20 117.86 1wyi s ILE 170 Ca 0.30 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 1wyi s ILE 170 Cb 0.25 -3.49 0.02 0.00 0.01 0.00 0.00 42.46 39.24 1wyi s ILE 170 CO 0.06 -0.10 0.49 0.61 0.00 0.00 0.00 174.94 176.00 1wyi n GLY 171 N 5.00 -0.58 0.00 6.18 0.00 -1.26 -4.84 105.19 109.69 1wyi n GLY 171 Ca -0.13 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wyi n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyi n THR 172 N -4.66 0.00 -0.10 2.61 -2.24 -1.26 -5.01 114.28 103.61 1wyi n THR 172 Ca -0.20 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1wyi n THR 172 Cb 0.62 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1wyi n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wyi n GLY 173 N 0.78 0.95 3.41 3.38 0.00 -1.26 -5.07 105.19 107.37 1wyi n GLY 173 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1wyi n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyi s LYS 174 N -0.90 1.97 -0.06 1.61 -0.14 -1.26 -5.13 119.74 115.84 1wyi s LYS 174 Ca 0.00 -1.02 0.05 0.00 -1.36 0.00 0.00 55.97 53.63 1wyi s LYS 174 Cb 0.00 -2.10 -0.02 0.00 -1.68 0.00 0.00 37.83 34.03 1wyi s LYS 174 CO 0.00 0.53 -0.20 0.95 -0.76 0.00 0.00 175.35 175.87 1wyi s THR 175 N -0.86 2.49 -0.25 2.17 -4.23 -1.26 -4.50 115.64 109.19 1wyi s THR 175 Ca 0.13 -0.92 -0.10 0.00 -1.18 0.00 0.00 61.69 59.62 1wyi s THR 175 Cb -0.10 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 1wyi s THR 175 CO 0.03 0.57 0.16 0.00 -0.54 0.00 0.00 174.62 174.84 1wyi s ALA 176 N -0.34 3.51 0.48 3.99 0.00 -1.26 -5.03 121.76 123.11 1wyi s ALA 176 Ca 0.02 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 1wyi s ALA 176 Cb -0.12 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.64 1wyi s ALA 176 CO 0.02 -0.36 0.76 0.95 0.00 0.00 0.00 175.76 177.13 1wyi s THR 177 N 1.38 4.60 0.40 0.00 -4.23 -1.26 -4.97 115.64 111.55 1wyi s THR 177 Ca 0.07 -0.03 0.27 0.00 -1.18 0.00 0.00 61.69 60.82 1wyi s THR 177 Cb -0.15 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.24 1wyi s THR 177 CO 0.07 -0.67 2.05 1.55 -0.54 0.00 0.00 174.62 177.08 1wyi h PRO 178 N 0.25 0.00 0.02 3.99 0.13 -1.98 -1.76 132.00 132.65 1wyi h PRO 178 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1wyi h PRO 178 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wyi h PRO 178 CO 0.61 0.13 -0.01 1.96 -0.23 0.00 0.00 178.00 180.46 1wyi h GLN 179 N 0.00 -0.02 0.00 0.86 7.50 -1.98 -1.24 115.11 120.23 1wyi h GLN 179 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1wyi h GLN 179 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.89 1wyi h GLN 179 CO 0.02 0.47 0.00 0.00 -1.50 0.00 0.00 178.83 177.82 1wyi n GLN 180 N -4.86 0.09 -0.01 1.46 10.64 -1.13 -1.02 117.38 122.54 1wyi n GLN 180 Ca -0.09 0.34 -0.12 0.00 -1.83 0.00 0.00 57.00 55.30 1wyi n GLN 180 Cb 0.26 -1.67 -0.10 0.00 -0.86 0.00 0.00 30.24 27.87 1wyi n GLN 180 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wyi h ALA 181 N 2.38 -0.06 -0.63 2.61 0.00 -0.85 -3.09 119.26 119.63 1wyi h ALA 181 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1wyi h ALA 181 Cb 0.29 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1wyi h ALA 181 CO 0.00 -0.18 0.37 0.37 0.00 0.00 0.00 179.25 179.81 1wyi h GLN 182 N -0.76 0.69 -0.68 0.00 5.75 -0.55 -1.70 115.11 117.87 1wyi h GLN 182 Ca -0.01 -0.04 0.14 0.00 -0.15 0.00 0.00 58.65 58.60 1wyi h GLN 182 Cb 0.65 -0.16 -0.12 0.00 1.07 0.00 0.00 27.48 28.92 1wyi h GLN 182 CO 0.01 0.46 -0.05 1.49 -2.65 0.00 0.00 178.83 178.08 1wyi h GLU 183 N 0.71 0.07 -0.21 1.69 4.81 -1.13 0.46 114.58 120.98 1wyi h GLU 183 Ca 0.26 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 1wyi h GLU 183 Cb 0.08 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1wyi h GLU 183 CO -0.13 0.04 -0.27 0.28 -0.73 0.00 0.00 179.01 178.20 1wyi h VAL 184 N 0.07 1.33 -0.04 0.32 2.07 -1.35 -2.98 116.25 115.66 1wyi h VAL 184 Ca 0.35 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1wyi h VAL 184 Cb 0.58 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1wyi h VAL 184 CO -0.63 0.45 -0.15 0.45 0.02 0.00 0.00 177.57 177.72 1wyi h HIS 185 N 0.24 0.07 0.69 1.57 3.86 -0.34 -2.01 115.15 119.22 1wyi h HIS 185 Ca 0.03 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1wyi h HIS 185 Cb 0.85 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1wyi h HIS 185 CO 0.08 0.21 -0.37 1.49 0.86 0.00 0.00 177.93 180.21 1wyi h GLU 186 N 0.06 -0.94 -0.83 2.45 4.81 -0.04 -0.80 114.58 119.29 1wyi h GLU 186 Ca 0.01 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 1wyi h GLU 186 Cb 0.30 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1wyi h GLU 186 CO 0.02 -0.62 0.52 0.87 -0.73 0.00 0.00 179.01 179.06 1wyi h LYS 187 N -0.97 0.94 -0.37 1.92 1.79 -1.37 0.23 116.57 118.74 1wyi h LYS 187 Ca -0.09 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1wyi h LYS 187 Cb 0.76 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1wyi h LYS 187 CO 0.13 0.62 0.06 -0.07 -1.08 0.00 0.00 179.45 179.11 1wyi h LEU 188 N 0.97 0.51 -0.11 2.94 4.07 -1.16 0.96 115.31 123.49 1wyi h LEU 188 Ca 0.35 -0.08 -0.21 0.00 0.08 0.00 0.00 57.88 58.03 1wyi h LEU 188 Cb 0.12 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1wyi h LEU 188 CO -0.15 0.54 -0.97 -0.09 -1.08 0.00 0.00 178.44 176.69 1wyi h ARG 189 N 0.54 0.04 -0.17 1.13 2.43 -0.32 -2.58 114.38 115.45 1wyi h ARG 189 Ca 0.12 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1wyi h ARG 189 Cb 0.26 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1wyi h ARG 189 CO 0.00 0.97 -0.41 0.78 -1.51 0.00 0.00 179.97 179.81 1wyi h GLY 190 N 2.62 0.43 1.02 2.80 0.00 0.78 -1.54 103.07 109.18 1wyi h GLY 190 Ca -0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1wyi h GLY 190 CO 0.13 0.38 -0.04 -0.25 0.00 0.00 0.00 176.54 176.76 1wyi h TRP 191 N 0.33 0.98 0.56 5.60 7.01 0.96 -2.43 115.95 128.97 1wyi h TRP 191 Ca 0.03 -0.19 -0.03 0.00 2.11 0.00 0.00 58.89 60.82 1wyi h TRP 191 Cb 0.86 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1wyi h TRP 191 CO 0.02 0.94 -0.27 -0.07 -2.79 0.00 0.00 178.44 176.27 1wyi h LEU 192 N 0.75 -0.64 -0.77 0.65 3.38 -1.18 0.31 115.31 117.82 1wyi h LEU 192 Ca 0.13 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1wyi h LEU 192 Cb 0.57 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 1wyi h LEU 192 CO 0.03 -0.27 0.16 0.50 0.09 0.00 0.00 178.44 178.95 1wyi h LYS 193 N -1.06 0.22 0.04 1.13 3.64 -1.35 2.42 116.57 121.61 1wyi h LYS 193 Ca -0.08 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.05 1wyi h LYS 193 Cb 0.64 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.43 1wyi h LYS 193 CO 0.13 0.15 -0.97 1.03 -2.27 0.00 0.00 179.45 177.51 1wyi h SER 194 N 0.23 0.78 0.51 4.20 0.87 -1.41 -3.19 113.55 115.54 1wyi h SER 194 Ca 0.45 -0.78 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1wyi h SER 194 Cb 0.80 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1wyi h SER 194 CO -0.57 1.47 -1.53 0.59 -0.53 0.00 0.00 176.83 176.25 1wyi n ASN 195 N -3.95 0.48 0.00 6.23 3.02 0.11 -4.79 115.26 116.36 1wyi n ASN 195 Ca -0.12 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1wyi n ASN 195 Cb 0.85 1.01 0.00 0.00 -0.61 0.00 0.00 39.78 41.03 1wyi n ASN 195 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1wyi n VAL 196 N -2.56 0.00 -3.58 2.41 0.31 0.81 -5.02 118.33 110.69 1wyi n VAL 196 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1wyi n VAL 196 Cb 0.65 -0.70 -0.04 0.00 -0.91 0.00 0.00 33.84 32.84 1wyi n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1wyi s SER 197 N -0.30 -0.26 0.15 4.52 1.04 -0.78 -4.96 113.70 113.11 1wyi s SER 197 Ca 0.00 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1wyi s SER 197 Cb 0.00 0.24 0.06 0.00 0.10 0.00 0.00 66.02 66.42 1wyi s SER 197 CO 0.00 -0.32 1.70 0.44 0.98 0.00 0.00 173.24 176.04 1wyi h ASP 198 N 2.24 -0.16 0.46 7.02 3.45 -1.85 -1.99 116.42 125.60 1wyi h ASP 198 Ca -0.15 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 1wyi h ASP 198 Cb 1.18 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 40.09 1wyi h ASP 198 CO 0.28 -0.04 -0.30 0.00 -1.57 0.00 0.00 179.24 177.61 1wyi h ALA 199 N 1.30 -0.74 -0.65 3.45 0.00 -1.96 -1.47 119.26 119.18 1wyi h ALA 199 Ca 0.16 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 55.06 1wyi h ALA 199 Cb 0.22 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1wyi h ALA 199 CO -0.28 -0.93 -0.12 0.28 0.00 0.00 0.00 179.25 178.20 1wyi h VAL 200 N -0.73 0.37 -0.18 0.00 2.07 -1.90 0.29 116.25 116.18 1wyi h VAL 200 Ca -0.05 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1wyi h VAL 200 Cb 0.61 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1wyi h VAL 200 CO 0.04 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.66 1wyi h ALA 201 N 1.64 1.71 0.00 1.67 0.00 -1.11 0.25 119.26 123.42 1wyi h ALA 201 Ca 0.32 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1wyi h ALA 201 Cb 0.51 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1wyi h ALA 201 CO -0.64 0.23 -0.63 0.37 0.00 0.00 0.00 179.25 178.57 1wyi h GLN 202 N 0.25 0.00 0.02 0.00 -0.00 0.57 -3.35 115.11 112.60 1wyi h GLN 202 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 58.37 1wyi h GLN 202 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.56 1wyi h GLN 202 CO 0.00 0.63 -2.12 -1.13 0.00 0.00 0.00 178.83 176.21 1wyi n SER 203 N -3.28 0.84 -4.66 -0.69 3.41 -0.12 -4.69 113.62 104.43 1wyi n SER 203 Ca 0.01 0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1wyi n SER 203 Cb 0.78 0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 1wyi n SER 203 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1wyi n THR 204 N -3.01 0.75 -2.67 6.66 -1.04 0.82 -4.80 114.28 110.99 1wyi n THR 204 Ca -0.29 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.05 61.17 1wyi n THR 204 Cb 1.09 -2.27 -0.04 0.00 -1.82 0.00 0.00 70.33 67.28 1wyi n THR 204 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1wyi s ARG 205 N 4.44 4.63 -0.33 -2.82 3.00 -1.26 -4.95 118.95 121.66 1wyi s ARG 205 Ca 0.90 1.51 0.03 0.00 0.00 0.00 0.00 55.73 58.17 1wyi s ARG 205 Cb -0.46 -3.38 0.10 0.00 0.00 0.00 0.00 34.95 31.20 1wyi s ARG 205 CO 0.43 0.10 0.04 0.42 0.00 0.00 0.00 175.30 176.29 1wyi s ILE 206 N 0.28 2.13 0.23 1.52 1.01 -1.26 -0.72 121.20 124.39 1wyi s ILE 206 Ca 0.49 -2.20 -0.06 0.00 0.00 0.00 0.00 60.65 58.89 1wyi s ILE 206 Cb -0.24 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.62 1wyi s ILE 206 CO 0.30 -0.57 0.50 0.27 0.00 0.00 0.00 174.94 175.44 1wyi s ILE 207 N 0.99 5.05 -0.06 2.92 -4.36 0.27 -2.77 121.20 123.23 1wyi s ILE 207 Ca 0.09 0.11 -0.25 0.00 -0.26 0.00 0.00 60.65 60.35 1wyi s ILE 207 Cb -0.19 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 39.81 1wyi s ILE 207 CO -0.09 -0.16 0.77 -0.47 0.24 0.00 0.00 174.94 175.22 1wyi s TYR 208 N -1.90 3.58 -0.21 1.37 5.04 0.12 -1.06 117.35 124.30 1wyi s TYR 208 Ca 0.44 1.34 0.15 0.00 -2.44 0.00 0.00 57.07 56.56 1wyi s TYR 208 Cb -0.11 -2.89 0.56 0.00 0.35 0.00 0.00 41.96 39.86 1wyi s TYR 208 CO 0.26 0.03 1.47 0.41 -1.34 0.00 0.00 175.55 176.39 1wyi n GLY 209 N 3.11 4.10 1.12 8.97 0.00 0.85 -0.64 105.19 122.69 1wyi n GLY 209 Ca 0.01 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.91 1wyi n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wyi n GLY 210 N -0.53 1.54 3.50 -0.02 0.00 -1.26 -4.67 105.19 103.76 1wyi n GLY 210 Ca 0.25 -2.10 -0.52 0.00 0.00 0.00 0.00 46.02 43.66 1wyi n GLY 210 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wyi n SER 211 N -2.86 2.29 -3.86 1.61 2.88 -1.26 -4.83 113.62 107.59 1wyi n SER 211 Ca 0.05 0.57 -0.24 0.00 -1.33 0.00 0.00 58.87 57.92 1wyi n SER 211 Cb 0.17 -1.25 -0.17 0.00 -0.75 0.00 0.00 64.21 62.21 1wyi n SER 211 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1wyi s VAL 212 N 6.43 0.67 0.19 2.46 1.01 -1.26 -5.01 120.40 124.88 1wyi s VAL 212 Ca 1.06 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.98 1wyi s VAL 212 Cb -0.88 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1wyi s VAL 212 CO 0.52 0.29 -0.02 0.42 0.00 0.00 0.00 175.10 176.31 1wyi s THR 213 N 1.59 0.92 -0.45 3.92 -4.23 -1.26 -4.57 115.64 111.56 1wyi s THR 213 Ca 0.00 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 58.61 1wyi s THR 213 Cb -0.13 -2.13 0.11 0.00 1.34 0.00 0.00 72.50 71.69 1wyi s THR 213 CO -0.05 -0.49 1.31 0.61 -0.54 0.00 0.00 174.62 175.46 1wyi n GLY 214 N -0.29 -0.65 0.08 3.99 0.00 -1.26 -0.47 105.19 106.59 1wyi n GLY 214 Ca -0.07 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1wyi n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wyi h ALA 215 N 1.78 0.64 -0.01 4.61 0.00 -1.95 -3.37 119.26 120.95 1wyi h ALA 215 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1wyi h ALA 215 Cb 0.14 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wyi h ALA 215 CO 0.00 1.29 -0.03 0.25 0.00 0.00 0.00 179.25 180.75 1wyi n THR 216 N -3.10 0.00 -0.11 0.00 -2.24 -0.33 -4.66 114.28 103.84 1wyi n THR 216 Ca -0.10 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 1wyi n THR 216 Cb 0.95 1.12 0.23 0.00 -2.10 0.00 0.00 70.33 70.54 1wyi n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyi h LYS 218 N 0.76 0.16 0.85 0.00 6.56 -1.82 0.14 116.57 123.22 1wyi h LYS 218 Ca 0.18 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.72 1wyi h LYS 218 Cb 0.23 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1wyi h LYS 218 CO -0.01 0.11 -0.48 0.93 -2.06 0.00 0.00 179.45 177.94 1wyi h GLU 219 N 0.17 -1.18 -0.60 3.15 5.08 -1.85 -1.58 114.58 117.76 1wyi h GLU 219 Ca 0.06 0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.59 1wyi h GLU 219 Cb 0.01 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1wyi h GLU 219 CO -0.04 -0.79 0.24 -0.07 -1.00 0.00 0.00 179.01 177.35 1wyi h LEU 220 N -1.23 0.26 -1.12 1.33 3.38 -1.45 -2.22 115.31 114.25 1wyi h LEU 220 Ca -0.11 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wyi h LEU 220 Cb 0.97 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.71 1wyi h LEU 220 CO 0.14 0.16 0.59 0.00 0.09 0.00 0.00 178.44 179.43 1wyi h ALA 221 N 1.40 1.40 0.00 1.53 0.00 -0.58 -1.19 119.26 121.83 1wyi h ALA 221 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wyi h ALA 221 Cb 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1wyi h ALA 221 CO -0.28 0.53 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1wyi h SER 222 N 1.17 0.00 -3.71 0.00 4.64 -0.63 -3.43 113.55 111.58 1wyi h SER 222 Ca 0.35 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.14 1wyi h SER 222 Cb -0.05 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.11 1wyi h SER 222 CO -0.09 0.00 0.71 -1.10 -0.87 0.00 0.00 176.83 175.47 1wyi s GLN 223 N -3.53 4.28 0.11 4.77 -1.52 -0.45 -4.93 119.66 118.39 1wyi s GLN 223 Ca -0.01 2.31 -0.26 0.00 -1.95 0.00 0.00 55.36 55.44 1wyi s GLN 223 Cb 0.07 -3.07 -0.08 0.00 -0.22 0.00 0.00 33.01 29.72 1wyi s GLN 223 CO 0.24 -0.33 1.65 -1.35 -0.25 0.00 0.00 175.29 175.25 1wyi h PRO 224 N 3.92 -0.38 -0.07 2.91 0.11 -1.88 -2.97 132.00 133.64 1wyi h PRO 224 Ca -0.48 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1wyi h PRO 224 Cb 1.23 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1wyi h PRO 224 CO 0.70 -0.26 0.00 -0.25 -0.21 0.00 0.00 178.00 177.98 1wyi n ASP 225 N -5.35 0.97 -4.32 -2.05 9.92 -1.26 -4.64 116.55 109.82 1wyi n ASP 225 Ca -0.06 -1.49 -0.40 0.00 -0.53 0.00 0.00 54.79 52.30 1wyi n ASP 225 Cb 0.26 -0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.60 1wyi n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1wyi s VAL 226 N -1.92 4.37 -0.24 2.53 1.01 -1.12 -4.58 120.40 120.46 1wyi s VAL 226 Ca 0.34 -1.16 0.11 0.00 0.00 0.00 0.00 61.98 61.28 1wyi s VAL 226 Cb 0.18 -3.57 0.47 0.00 0.00 0.00 0.00 36.38 33.45 1wyi s VAL 226 CO 0.28 -0.38 1.37 0.47 0.00 0.00 0.00 175.10 176.84 1wyi n ASP 227 N 4.95 2.45 0.00 3.32 8.00 -1.11 -4.57 116.55 129.59 1wyi n ASP 227 Ca -0.11 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.74 1wyi n ASP 227 Cb 0.44 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1wyi n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wyi n GLY 228 N -1.08 -0.73 3.22 0.44 0.00 -1.26 -1.64 105.19 104.14 1wyi n GLY 228 Ca 0.27 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1wyi n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wyi s PHE 229 N -2.00 1.12 -0.37 1.61 0.08 0.44 0.16 117.98 119.02 1wyi s PHE 229 Ca 0.00 -0.98 0.00 0.00 0.12 0.00 0.00 56.93 56.07 1wyi s PHE 229 Cb 0.00 -0.63 0.13 0.00 -0.57 0.00 0.00 43.02 41.94 1wyi s PHE 229 CO 0.00 -0.19 0.19 -1.17 -0.10 0.00 0.00 175.22 173.96 1wyi s LEU 230 N -3.13 1.87 0.27 -0.37 2.96 0.18 -1.29 118.68 119.16 1wyi s LEU 230 Ca 0.20 -2.19 -0.29 0.00 -0.22 0.00 0.00 54.13 51.63 1wyi s LEU 230 Cb 0.06 -0.74 -0.09 0.00 0.50 0.00 0.00 46.19 45.92 1wyi s LEU 230 CO 0.01 -0.32 0.98 -0.69 -1.32 0.00 0.00 176.35 175.01 1wyi s VAL 231 N 0.96 3.96 0.00 1.68 1.01 -0.04 -4.46 120.40 123.51 1wyi s VAL 231 Ca 0.16 1.90 0.00 0.00 0.00 0.00 0.00 61.98 64.04 1wyi s VAL 231 Cb -0.22 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1wyi s VAL 231 CO -0.07 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1wyi n GLY 232 N 1.24 0.16 0.28 4.51 0.00 -1.26 0.66 105.19 110.78 1wyi n GLY 232 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1wyi n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wyi h GLY 233 N 0.00 1.12 2.00 -0.02 0.00 -1.92 0.42 103.07 104.66 1wyi h GLY 233 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1wyi h GLY 233 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1wyi h ALA 234 N 1.62 1.00 0.00 3.60 0.00 -1.89 -1.76 119.26 121.82 1wyi h ALA 234 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1wyi h ALA 234 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1wyi h ALA 234 CO -0.50 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.62 1wyi n SER 235 N -2.44 0.00 -0.35 0.00 3.41 0.14 -2.32 113.62 112.04 1wyi n SER 235 Ca -0.01 0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 1wyi n SER 235 Cb 0.11 -0.32 0.19 0.00 -0.26 0.00 0.00 64.21 63.93 1wyi n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wyi n LEU 236 N -1.32 1.48 -4.57 1.04 4.77 -0.66 -4.87 117.00 112.86 1wyi n LEU 236 Ca 0.10 -0.49 -0.26 0.00 -0.03 0.00 0.00 56.01 55.33 1wyi n LEU 236 Cb 0.20 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 1wyi n LEU 236 CO 0.19 0.28 -0.31 -1.59 -1.33 0.00 0.00 177.39 174.62 1wyi s LYS 237 N -2.50 1.86 0.53 3.23 -2.85 -0.98 -4.93 119.74 114.09 1wyi s LYS 237 Ca 0.21 -2.02 0.28 0.00 -1.00 0.00 0.00 55.97 53.44 1wyi s LYS 237 Cb 0.19 -1.51 1.42 0.00 -2.06 0.00 0.00 37.83 35.87 1wyi s LYS 237 CO 0.55 -0.02 1.94 -1.35 0.10 0.00 0.00 175.35 176.57 1wyi h PRO 238 N 1.91 0.02 -0.17 1.78 0.11 -1.94 0.35 132.00 134.06 1wyi h PRO 238 Ca -0.43 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.73 1wyi h PRO 238 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1wyi h PRO 238 CO 0.76 0.01 0.32 1.49 -0.21 0.00 0.00 178.00 180.37 1wyi h GLU 239 N 0.02 0.00 -0.69 1.05 4.81 -1.96 0.66 114.58 118.47 1wyi h GLU 239 Ca 0.34 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.70 1wyi h GLU 239 Cb 1.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 1wyi h GLU 239 CO -0.01 0.00 0.46 0.35 -0.73 0.00 0.00 179.01 179.08 1wyi h PHE 240 N 0.00 0.48 -0.60 0.92 3.57 -0.95 0.57 116.94 120.93 1wyi h PHE 240 Ca 0.08 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1wyi h PHE 240 Cb 0.72 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1wyi h PHE 240 CO 0.00 0.20 0.08 0.28 -2.23 0.00 0.00 178.31 176.65 1wyi h VAL 241 N 0.43 1.26 -0.63 1.41 2.07 -1.07 -0.67 116.25 119.05 1wyi h VAL 241 Ca 0.33 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1wyi h VAL 241 Cb 0.70 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1wyi h VAL 241 CO -0.10 0.38 0.42 0.44 0.02 0.00 0.00 177.57 178.72 1wyi h ASP 242 N 0.91 0.71 0.53 0.57 3.32 -1.05 0.26 116.42 121.67 1wyi h ASP 242 Ca 0.18 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 1wyi h ASP 242 Cb 0.44 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1wyi h ASP 242 CO 0.01 0.51 -0.61 0.40 -1.72 0.00 0.00 179.24 177.83 1wyi h ILE 243 N 0.84 1.42 0.00 0.35 2.04 -0.96 -1.82 117.51 119.39 1wyi h ILE 243 Ca 0.23 -2.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 1wyi h ILE 243 Cb -0.08 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1wyi h ILE 243 CO -0.05 0.60 -0.01 0.40 0.00 0.00 0.00 178.15 179.08 1wyi h ILE 244 N 0.06 0.07 -0.28 -0.67 2.04 0.60 -2.41 117.51 116.91 1wyi h ILE 244 Ca -0.01 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 65.41 1wyi h ILE 244 Cb 1.10 1.25 -0.11 0.00 -0.74 0.00 0.00 36.82 38.32 1wyi h ILE 244 CO 0.09 0.01 -0.31 0.59 0.00 0.00 0.00 178.15 178.53 1wyi n ASN 245 N -3.15 2.61 -0.05 1.72 3.02 -0.71 -4.68 115.26 114.02 1wyi n ASN 245 Ca -0.01 -3.84 -0.15 0.00 -0.03 0.00 0.00 54.58 50.54 1wyi n ASN 245 Cb 0.19 -0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.71 1wyi n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wyi h ALA 246 N 1.17 0.28 0.00 5.41 0.00 -1.12 -2.77 119.26 122.24 1wyi h ALA 246 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wyi h ALA 246 Cb 1.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1wyi h ALA 246 CO 0.32 0.45 0.00 1.17 0.00 0.00 0.00 179.25 181.20 1wyi n LYS 247 N -4.19 0.00 0.00 0.00 3.00 -1.26 -4.48 118.16 111.24 1wyi n LYS 247 Ca -0.07 0.40 0.02 0.00 -0.00 0.00 0.00 58.31 58.66 1wyi n LYS 247 Cb 0.59 -1.50 0.02 0.00 0.00 0.00 0.00 35.03 34.13 1wyi n LYS 247 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44