#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywq n ALA 3 N 0.00 2.53 -0.07 -1.46 0.00 -1.26 -3.16 120.51 117.10 1ywq n ALA 3 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 1ywq n ALA 3 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 1ywq n ALA 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ywq n THR 4 N 0.16 0.95 0.00 0.00 -1.04 -1.26 -4.63 114.28 108.46 1ywq n THR 4 Ca 0.16 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1ywq n THR 4 Cb 0.29 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1ywq n THR 4 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ywq n THR 5 N -2.51 0.00 -1.69 12.58 -1.04 -1.19 -4.71 114.28 115.72 1ywq n THR 5 Ca -0.23 1.22 -0.44 0.00 -2.04 0.00 0.00 64.05 62.57 1ywq n THR 5 Cb 0.95 -2.22 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 1ywq n THR 5 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ywq n THR 6 N -1.18 1.07 -2.26 12.58 -2.24 -1.21 -5.01 114.28 116.03 1ywq n THR 6 Ca 0.00 -0.27 -0.25 0.00 -2.27 0.00 0.00 64.05 61.26 1ywq n THR 6 Cb 0.00 -1.57 0.07 0.00 -2.10 0.00 0.00 70.33 66.72 1ywq n THR 6 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ywq s ASN 7 N 0.27 4.84 0.09 3.42 4.22 -1.26 -4.90 114.94 121.62 1ywq s ASN 7 Ca 0.66 0.37 -0.29 0.00 -2.14 0.00 0.00 52.86 51.46 1ywq s ASN 7 Cb -0.61 -1.04 -0.12 0.00 1.28 0.00 0.00 41.25 40.76 1ywq s ASN 7 CO 0.51 -1.56 1.46 0.25 -2.04 0.00 0.00 177.10 175.72 1ywq h LEU 8 N -0.52 -1.36 -0.94 3.54 5.85 -1.96 -2.24 115.31 117.67 1ywq h LEU 8 Ca -0.44 0.15 0.20 0.00 0.84 0.00 0.00 57.88 58.63 1ywq h LEU 8 Cb 1.31 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 42.74 1ywq h LEU 8 CO 0.58 -0.46 0.52 0.50 -0.34 0.00 0.00 178.44 179.24 1ywq h LYS 9 N -0.61 0.59 -0.45 1.25 3.64 -2.00 -0.39 116.57 118.59 1ywq h LYS 9 Ca 0.00 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1ywq h LYS 9 Cb 0.63 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ywq h LYS 9 CO -0.27 0.39 -0.21 0.93 -2.27 0.00 0.00 179.45 178.03 1ywq h GLU 10 N 0.61 0.91 -0.69 1.90 5.08 -1.91 -2.30 114.58 118.18 1ywq h GLU 10 Ca 0.56 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1ywq h GLU 10 Cb 0.96 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 1ywq h GLU 10 CO -0.43 1.03 0.46 0.00 -1.00 0.00 0.00 179.01 179.06 1ywq h ALA 11 N 0.96 1.59 -0.07 3.43 0.00 -0.47 0.28 119.26 124.98 1ywq h ALA 11 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ywq h ALA 11 Cb 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ywq h ALA 11 CO 0.06 0.35 -0.15 0.82 0.00 0.00 0.00 179.25 180.32 1ywq h ILE 12 N 0.85 1.41 0.00 0.00 2.04 -1.21 -3.11 117.51 117.49 1ywq h ILE 12 Ca 0.27 -1.47 -0.17 0.00 1.00 0.00 0.00 64.86 64.49 1ywq h ILE 12 Cb 0.03 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1ywq h ILE 12 CO -0.07 0.41 -0.83 0.58 0.00 0.00 0.00 178.15 178.24 1ywq h VAL 13 N -0.25 1.59 0.00 1.67 2.07 -1.16 -3.32 116.25 116.85 1ywq h VAL 13 Ca 0.00 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1ywq h VAL 13 Cb 0.74 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1ywq h VAL 13 CO 0.03 0.81 -0.59 0.59 0.02 0.00 0.00 177.57 178.43 1ywq n ASN 14 N -3.56 0.56 -4.68 0.57 3.02 0.97 -4.84 115.26 107.31 1ywq n ASN 14 Ca -0.01 -0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 53.84 1ywq n ASN 14 Cb 0.79 0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 1ywq n ASN 14 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ywq s ARG 15 N -3.03 4.27 0.20 3.52 3.00 -1.17 -4.99 118.95 120.75 1ywq s ARG 15 Ca 0.10 1.87 0.01 0.00 -1.00 0.00 0.00 55.73 56.71 1ywq s ARG 15 Cb 0.17 -3.68 -0.05 0.00 0.00 0.00 0.00 34.95 31.39 1ywq s ARG 15 CO 0.72 -0.63 0.04 1.03 0.00 0.00 0.00 175.30 176.46 1ywq s ARG 16 N 2.89 1.19 -0.35 5.12 1.81 -1.26 -5.03 118.95 123.32 1ywq s ARG 16 Ca 0.61 -1.60 -0.24 0.00 -1.72 0.00 0.00 55.73 52.78 1ywq s ARG 16 Cb -0.28 -0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.00 1ywq s ARG 16 CO 0.23 -0.19 0.85 -1.12 -0.68 0.00 0.00 175.30 174.39 1ywq s SER 17 N -3.21 6.64 -0.41 0.23 0.01 -1.26 -4.64 113.70 111.05 1ywq s SER 17 Ca 0.28 0.53 -0.06 0.00 1.31 0.00 0.00 55.95 58.02 1ywq s SER 17 Cb 0.07 -2.43 0.10 0.00 0.21 0.00 0.00 66.02 63.97 1ywq s SER 17 CO 0.07 -0.75 0.22 -0.63 0.41 0.00 0.00 173.24 172.56 1ywq s ILE 18 N 3.22 3.66 -1.55 1.44 -1.09 0.50 -4.58 121.20 122.81 1ywq s ILE 18 Ca 0.34 -1.77 0.29 0.00 -2.23 0.00 0.00 60.65 57.28 1ywq s ILE 18 Cb -0.13 -3.38 0.43 0.00 -1.58 0.00 0.00 42.46 37.80 1ywq s ILE 18 CO 0.16 -0.60 1.87 0.54 -1.23 0.00 0.00 174.94 175.69 1ywq n ARG 19 N 4.74 0.57 -3.95 2.79 1.74 -1.26 -3.79 116.66 117.50 1ywq n ARG 19 Ca -0.06 -0.17 -0.29 0.00 -0.77 0.00 0.00 57.85 56.55 1ywq n ARG 19 Cb 0.42 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.20 1ywq n ARG 19 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ywq s LYS 20 N -2.54 1.78 0.01 5.56 1.02 -1.26 -4.09 119.74 120.22 1ywq s LYS 20 Ca 0.27 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.62 1ywq s LYS 20 Cb 0.20 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 1ywq s LYS 20 CO 0.49 -0.42 -0.10 0.14 -0.92 0.00 0.00 175.35 174.54 1ywq s VAL 21 N 1.51 0.77 0.00 3.17 -7.23 -0.40 -1.16 120.40 117.05 1ywq s VAL 21 Ca 0.00 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 1ywq s VAL 21 Cb -0.16 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.09 1ywq s VAL 21 CO -0.08 0.04 0.00 0.35 -0.31 0.00 0.00 175.10 175.10 1ywq n THR 22 N 2.36 0.00 -3.63 5.32 -2.24 0.28 -1.67 114.28 114.70 1ywq n THR 22 Ca -0.16 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 1ywq n THR 22 Cb 0.56 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 1ywq n THR 22 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ywq s LYS 23 N -0.55 3.29 -0.29 -0.78 1.02 -1.21 -1.68 119.74 119.55 1ywq s LYS 23 Ca 0.00 -0.79 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 1ywq s LYS 23 Cb 0.00 -2.81 0.12 0.00 -0.52 0.00 0.00 37.83 34.62 1ywq s LYS 23 CO 0.00 0.20 0.88 1.21 -0.92 0.00 0.00 175.35 176.72 1ywq s ASN 24 N -4.08 -0.67 0.00 2.83 3.84 -1.26 -4.65 114.94 110.95 1ywq s ASN 24 Ca 0.40 1.06 0.24 0.00 0.21 0.00 0.00 52.86 54.76 1ywq s ASN 24 Cb -0.09 1.30 1.02 0.00 -0.55 0.00 0.00 41.25 42.93 1ywq s ASN 24 CO 0.31 -0.17 1.76 0.47 -2.79 0.00 0.00 177.10 176.68 1ywq n ASP 25 N 3.97 0.00 0.12 -4.21 8.00 -1.26 -2.87 116.55 120.30 1ywq n ASP 25 Ca -0.19 0.45 -0.02 0.00 0.71 0.00 0.00 54.79 55.74 1ywq n ASP 25 Cb 0.58 -0.48 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 1ywq n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ywq h ALA 26 N 2.84 0.83 -1.33 2.24 0.00 -2.05 -3.39 119.26 118.41 1ywq h ALA 26 Ca 0.00 -0.62 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 1ywq h ALA 26 Cb 0.39 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1ywq h ALA 26 CO 0.00 0.85 1.19 0.42 0.00 0.00 0.00 179.25 181.71 1ywq s ILE 27 N -3.40 3.97 0.20 0.00 1.01 -1.14 -4.94 121.20 116.91 1ywq s ILE 27 Ca -0.01 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.31 1ywq s ILE 27 Cb 0.12 -4.95 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 1ywq s ILE 27 CO 0.77 -1.82 0.12 0.42 0.00 0.00 0.00 174.94 174.42 1ywq s THR 28 N 4.93 4.24 0.46 2.92 -4.23 -1.26 -4.93 115.64 117.76 1ywq s THR 28 Ca 0.39 -1.33 0.26 0.00 -1.18 0.00 0.00 61.69 59.83 1ywq s THR 28 Cb -0.05 -3.21 0.45 0.00 1.34 0.00 0.00 72.50 71.04 1ywq s THR 28 CO 0.01 -0.21 1.80 0.50 -0.54 0.00 0.00 174.62 176.18 1ywq h LYS 29 N 2.12 0.22 -0.04 3.99 3.64 -1.96 0.36 116.57 124.90 1ywq h LYS 29 Ca -0.47 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1ywq h LYS 29 Cb 1.22 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1ywq h LYS 29 CO 0.61 0.14 -0.01 1.49 -2.27 0.00 0.00 179.45 179.41 1ywq h GLU 30 N 0.22 0.07 -0.83 1.90 4.22 -1.98 -0.25 114.58 117.94 1ywq h GLU 30 Ca 0.56 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.97 1ywq h GLU 30 Cb 1.75 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.96 1ywq h GLU 30 CO -0.17 0.43 0.50 0.00 -2.18 0.00 0.00 179.01 177.60 1ywq h ARG 31 N -0.28 1.12 -0.57 1.92 3.08 -1.34 -1.69 114.38 116.61 1ywq h ARG 31 Ca 0.01 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1ywq h ARG 31 Cb 0.40 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1ywq h ARG 31 CO 0.00 0.78 0.31 0.82 -1.07 0.00 0.00 179.97 180.82 1ywq h ILE 32 N 1.13 1.19 -0.44 2.04 1.08 -1.16 -2.59 117.51 118.77 1ywq h ILE 32 Ca 0.30 -0.47 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 1ywq h ILE 32 Cb -0.05 0.46 -0.09 0.00 -3.07 0.00 0.00 36.82 34.07 1ywq h ILE 32 CO -0.06 0.20 -0.13 -0.08 -0.69 0.00 0.00 178.15 177.39 1ywq h GLU 33 N 0.76 -0.03 -0.32 2.37 4.57 -0.18 -1.49 114.58 120.27 1ywq h GLU 33 Ca 0.20 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 1ywq h GLU 33 Cb 0.04 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1ywq h GLU 33 CO -0.03 -0.02 0.13 0.93 -1.18 0.00 0.00 179.01 178.84 1ywq h GLU 34 N -0.03 0.27 -0.46 1.92 3.07 -0.99 -1.63 114.58 116.73 1ywq h GLU 34 Ca 0.21 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.13 1ywq h GLU 34 Cb 0.35 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.14 1ywq h GLU 34 CO -0.47 0.18 0.12 0.28 -1.40 0.00 0.00 179.01 177.73 1ywq h VAL 35 N 0.28 0.79 -0.13 3.13 2.07 -0.97 -1.58 116.25 119.85 1ywq h VAL 35 Ca 0.14 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1ywq h VAL 35 Cb 0.08 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1ywq h VAL 35 CO -0.12 0.05 -0.28 -0.07 0.02 0.00 0.00 177.57 177.16 1ywq h LEU 36 N 0.27 0.23 -0.76 2.57 4.07 -1.02 -0.65 115.31 120.03 1ywq h LEU 36 Ca 0.23 -0.07 -0.13 0.00 0.08 0.00 0.00 57.88 57.98 1ywq h LEU 36 Cb 0.27 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1ywq h LEU 36 CO -0.27 0.52 -0.51 0.50 -1.08 0.00 0.00 178.44 177.60 1ywq h LYS 37 N 0.21 0.28 -0.03 1.13 3.64 -0.54 -2.07 116.57 119.20 1ywq h LYS 37 Ca 0.03 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1ywq h LYS 37 Cb 0.61 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1ywq h LYS 37 CO 0.04 0.73 -0.39 1.15 -2.27 0.00 0.00 179.45 178.72 1ywq h THR 38 N 0.23 1.46 -0.32 1.00 2.02 -1.03 -3.25 112.91 113.02 1ywq h THR 38 Ca 0.01 -1.91 0.08 0.00 0.77 0.00 0.00 66.41 65.36 1ywq h THR 38 Cb 0.97 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.92 1ywq h THR 38 CO 0.08 0.54 0.23 0.00 0.37 0.00 0.00 175.52 176.74 1ywq h ALA 39 N 0.34 2.24 0.00 6.16 0.00 -1.04 -0.96 119.26 126.01 1ywq h ALA 39 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ywq h ALA 39 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ywq h ALA 39 CO 0.08 -0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.28 1ywq n LEU 40 N -4.45 0.00 -0.14 0.00 4.77 -0.79 -1.25 117.00 115.14 1ywq n LEU 40 Ca 0.04 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1ywq n LEU 40 Cb 0.37 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.96 1ywq n LEU 40 CO 0.35 0.00 0.77 1.41 -1.33 0.00 0.00 177.39 178.60 1ywq n HIS 41 N -0.87 0.00 -1.95 -1.77 8.25 -0.36 -4.83 115.22 113.68 1ywq n HIS 41 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 1ywq n HIS 41 Cb 0.03 -0.19 0.02 0.00 1.12 0.00 0.00 29.99 30.97 1ywq n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ywq s ALA 42 N -2.56 3.03 0.60 -1.41 0.00 -0.38 -4.98 121.76 116.06 1ywq s ALA 42 Ca 0.25 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 1ywq s ALA 42 Cb 0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1ywq s ALA 42 CO 0.51 -1.06 1.01 -1.25 0.00 0.00 0.00 175.76 174.98 1ywq s PRO 43 N -2.62 3.65 0.05 0.00 0.04 -1.26 -4.98 135.00 129.88 1ywq s PRO 43 Ca 0.64 0.76 0.03 0.00 0.04 0.00 0.00 61.00 62.48 1ywq s PRO 43 Cb -0.38 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1ywq s PRO 43 CO 0.47 -0.51 -0.10 0.95 0.04 0.00 0.00 177.00 177.84 1ywq s THR 44 N -3.08 0.77 0.20 1.26 -4.23 -1.26 -4.72 115.64 104.58 1ywq s THR 44 Ca 0.55 -1.12 -0.32 0.00 -1.18 0.00 0.00 61.69 59.62 1ywq s THR 44 Cb -0.11 -0.79 -0.12 0.00 1.34 0.00 0.00 72.50 72.83 1ywq s THR 44 CO 0.50 -0.29 1.72 -1.54 -0.54 0.00 0.00 174.62 174.48 1ywq n SER 45 N 1.47 3.96 -1.59 3.99 3.41 -1.26 -0.34 113.62 123.26 1ywq n SER 45 Ca -0.22 1.06 -0.17 0.00 -0.26 0.00 0.00 58.87 59.28 1ywq n SER 45 Cb 0.55 -1.57 -0.07 0.00 -0.26 0.00 0.00 64.21 62.86 1ywq n SER 45 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ywq n PHE 46 N 4.04 -0.30 -2.79 7.33 3.01 -1.26 -1.08 117.46 126.41 1ywq n PHE 46 Ca 0.16 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.46 1ywq n PHE 46 Cb 0.35 -3.05 -0.00 0.00 -0.01 0.00 0.00 39.48 36.76 1ywq n PHE 46 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1ywq n ASN 47 N -1.02 -4.02 0.26 4.37 5.15 0.53 -4.80 115.26 115.73 1ywq n ASN 47 Ca -0.17 -0.03 0.17 0.00 -0.60 0.00 0.00 54.58 53.95 1ywq n ASN 47 Cb 0.57 -3.37 0.78 0.00 -0.53 0.00 0.00 39.78 37.23 1ywq n ASN 47 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ywq h MET 48 N -0.43 0.00 -6.97 1.20 -0.00 -1.28 -3.47 114.93 103.97 1ywq h MET 48 Ca -0.36 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 58.75 1ywq h MET 48 Cb 1.25 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.71 1ywq h MET 48 CO 0.42 0.00 -0.97 1.04 -0.00 0.00 0.00 176.91 177.40 1ywq n GLN 49 N -2.85 -1.03 0.00 -0.10 6.02 -1.26 -4.83 117.38 113.32 1ywq n GLN 49 Ca -0.00 0.13 0.12 0.00 -0.01 0.00 0.00 57.00 57.24 1ywq n GLN 49 Cb 0.21 -3.44 0.59 0.00 1.02 0.00 0.00 30.24 28.61 1ywq n GLN 49 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ywq n SER 50 N -2.72 0.00 -4.77 1.08 3.41 -1.26 -4.85 113.62 104.50 1ywq n SER 50 Ca -0.27 0.15 -0.37 0.00 -0.26 0.00 0.00 58.87 58.11 1ywq n SER 50 Cb 0.66 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1ywq n SER 50 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ywq s GLY 51 N -2.74 2.80 -0.02 5.00 0.00 -1.26 0.20 107.32 111.30 1ywq s GLY 51 Ca 0.19 0.97 -0.01 0.00 0.00 0.00 0.00 44.72 45.87 1ywq s GLY 51 CO 0.41 1.44 0.04 0.50 0.00 0.00 0.00 173.10 175.48 1ywq s ARG 52 N -2.65 0.01 -0.08 2.90 3.00 -0.28 -4.86 118.95 117.00 1ywq s ARG 52 Ca 0.63 0.11 0.03 0.00 0.00 0.00 0.00 55.73 56.50 1ywq s ARG 52 Cb -0.30 -0.09 0.01 0.00 0.00 0.00 0.00 34.95 34.58 1ywq s ARG 52 CO 0.36 -0.07 -0.17 -1.64 0.00 0.00 0.00 175.30 173.78 1ywq s MET 53 N 0.45 2.22 -0.25 3.54 -1.94 -1.26 -0.09 119.30 121.98 1ywq s MET 53 Ca -0.04 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 1ywq s MET 53 Cb -0.05 -1.75 0.06 0.00 2.01 0.00 0.00 34.83 35.09 1ywq s MET 53 CO -0.01 0.09 -0.11 0.08 -0.01 0.00 0.00 175.02 175.06 1ywq s VAL 54 N 0.52 2.08 -0.20 -6.03 1.01 -0.12 -4.95 120.40 112.70 1ywq s VAL 54 Ca -0.16 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 1ywq s VAL 54 Cb -0.17 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1ywq s VAL 54 CO 0.06 0.02 0.47 -0.69 0.00 0.00 0.00 175.10 174.95 1ywq s VAL 55 N 1.16 5.15 -0.24 2.92 1.01 -1.26 -0.70 120.40 128.43 1ywq s VAL 55 Ca -0.07 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 62.67 1ywq s VAL 55 Cb -0.19 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1ywq s VAL 55 CO -0.06 0.21 0.10 -0.76 0.00 0.00 0.00 175.10 174.59 1ywq s LEU 56 N 1.47 3.64 0.06 3.92 1.43 0.13 -4.97 118.68 124.35 1ywq s LEU 56 Ca 0.22 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1ywq s LEU 56 Cb -0.15 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1ywq s LEU 56 CO 0.09 -0.00 -0.08 -0.04 0.23 0.00 0.00 176.35 176.55 1ywq s MET 57 N 1.43 2.34 0.00 1.70 -1.94 -1.26 -0.60 119.30 120.97 1ywq s MET 57 Ca 0.06 -0.88 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1ywq s MET 57 Cb -0.15 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.29 1ywq s MET 57 CO 0.05 0.55 0.00 -0.25 -0.01 0.00 0.00 175.02 175.36 1ywq n ASP 58 N 1.11 0.00 -0.17 3.03 9.92 -0.40 -1.32 116.55 128.73 1ywq n ASP 58 Ca -0.14 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.07 1ywq n ASP 58 Cb 0.52 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 41.01 1ywq n ASP 58 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1ywq h GLY 59 N 0.00 -0.03 2.00 0.44 0.00 -1.96 -1.22 103.07 102.30 1ywq h GLY 59 Ca 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 47.33 47.61 1ywq h GLY 59 CO 0.00 -0.21 -0.43 0.83 0.00 0.00 0.00 176.54 176.72 1ywq h GLU 60 N -0.16 0.00 0.63 4.80 4.39 -1.56 -2.93 114.58 119.74 1ywq h GLU 60 Ca 0.22 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1ywq h GLU 60 Cb 0.52 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1ywq h GLU 60 CO -0.61 0.43 -0.30 1.25 -1.16 0.00 0.00 179.01 178.62 1ywq h HIS 61 N 0.00 -0.78 -0.67 4.33 -0.00 -1.02 -2.57 115.15 114.44 1ywq h HIS 61 Ca -0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1ywq h HIS 61 Cb 1.05 0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 28.69 1ywq h HIS 61 CO 0.00 -0.46 0.45 0.93 -0.00 0.00 0.00 177.93 178.85 1ywq h GLU 62 N -0.92 0.86 -0.88 5.26 5.08 -1.30 -2.06 114.58 120.62 1ywq h GLU 62 Ca -0.09 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ywq h GLU 62 Cb 0.67 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 1ywq h GLU 62 CO 0.14 0.57 0.58 -0.22 -1.00 0.00 0.00 179.01 179.08 1ywq h LYS 63 N 0.89 1.07 0.11 2.33 3.64 -1.37 -1.18 116.57 122.06 1ywq h LYS 63 Ca 0.25 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1ywq h LYS 63 Cb -0.07 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.51 1ywq h LYS 63 CO -0.06 0.71 -0.05 0.35 -2.27 0.00 0.00 179.45 178.12 1ywq h PHE 64 N 1.10 -0.14 0.00 1.91 3.57 -0.96 -1.57 116.94 120.85 1ywq h PHE 64 Ca 0.35 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.85 1ywq h PHE 64 Cb 0.02 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1ywq h PHE 64 CO -0.00 0.08 0.00 -1.49 -2.23 0.00 0.00 178.31 174.67 1ywq h TRP 65 N -0.34 0.00 0.05 0.41 4.06 -1.31 0.16 115.95 118.98 1ywq h TRP 65 Ca -0.02 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.69 1ywq h TRP 65 Cb 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.44 1ywq h TRP 65 CO -0.01 0.00 -1.05 -0.44 -3.56 0.00 0.00 178.44 173.38 1ywq h ASP 66 N 0.00 0.47 -0.59 -3.49 3.32 -0.87 -1.84 116.42 113.42 1ywq h ASP 66 Ca 0.00 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 1ywq h ASP 66 Cb 0.24 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1ywq h ASP 66 CO 0.00 1.25 0.30 0.40 -1.72 0.00 0.00 179.24 179.48 1ywq h ILE 67 N 0.16 1.20 0.08 0.35 2.04 0.26 -0.35 117.51 121.25 1ywq h ILE 67 Ca -0.10 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1ywq h ILE 67 Cb 1.71 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1ywq h ILE 67 CO 0.18 0.22 -0.04 0.58 0.00 0.00 0.00 178.15 179.09 1ywq h VAL 68 N 0.80 0.99 -0.67 1.67 2.07 -1.11 -0.14 116.25 119.86 1ywq h VAL 68 Ca 0.20 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.57 1ywq h VAL 68 Cb 0.08 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1ywq h VAL 68 CO -0.03 0.06 0.27 0.50 0.02 0.00 0.00 177.57 178.40 1ywq h LYS 69 N -0.22 0.44 -0.17 1.57 3.64 -1.06 -0.37 116.57 120.40 1ywq h LYS 69 Ca -0.01 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1ywq h LYS 69 Cb 0.19 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ywq h LYS 69 CO 0.02 0.29 -0.55 0.93 -2.27 0.00 0.00 179.45 177.87 1ywq h GLU 70 N 0.46 0.51 -0.39 1.90 4.39 -0.89 -1.37 114.58 119.19 1ywq h GLU 70 Ca 0.34 -0.32 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1ywq h GLU 70 Cb 0.44 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1ywq h GLU 70 CO -0.33 0.92 -0.08 1.15 -1.16 0.00 0.00 179.01 179.52 1ywq h THR 71 N 0.39 1.24 -0.04 1.13 2.02 -0.28 -2.34 112.91 115.03 1ywq h THR 71 Ca 0.01 -1.05 -0.16 0.00 0.77 0.00 0.00 66.41 65.98 1ywq h THR 71 Cb 1.08 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1ywq h THR 71 CO 0.10 0.36 -0.69 -0.07 0.37 0.00 0.00 175.52 175.59 1ywq h LEU 72 N 0.61 0.25 -1.97 2.58 3.38 -0.93 -3.05 115.31 116.19 1ywq h LEU 72 Ca 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ywq h LEU 72 Cb 0.50 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ywq h LEU 72 CO 0.03 0.86 -0.06 -0.09 0.09 0.00 0.00 178.44 179.27 1ywq h ARG 73 N 0.15 0.00 0.00 1.13 2.43 -0.70 -1.17 114.38 116.22 1ywq h ARG 73 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ywq h ARG 73 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1ywq h ARG 73 CO 0.11 0.06 -0.70 0.00 -1.51 0.00 0.00 179.97 177.93 1ywq n ALA 74 N -2.47 3.44 0.47 2.80 0.00 -1.11 -4.21 120.51 119.43 1ywq n ALA 74 Ca -0.03 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1ywq n ALA 74 Cb 0.15 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1ywq n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ywq n ARG 75 N -1.77 2.66 -5.03 0.00 1.74 -0.83 -5.00 116.66 108.42 1ywq n ARG 75 Ca 0.04 -0.39 -0.32 0.00 -0.77 0.00 0.00 57.85 56.40 1ywq n ARG 75 Cb 0.39 -1.05 -0.15 0.00 -1.02 0.00 0.00 32.46 30.63 1ywq n ARG 75 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ywq s VAL 76 N -1.60 2.62 0.53 1.55 1.01 -0.50 -5.08 120.40 118.92 1ywq s VAL 76 Ca 0.07 -0.86 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 1ywq s VAL 76 Cb 0.08 -2.01 -0.07 0.00 0.00 0.00 0.00 36.38 34.38 1ywq s VAL 76 CO 0.32 0.57 1.11 -2.65 0.00 0.00 0.00 175.10 174.45 1ywq n PRO 77 N 2.80 1.32 -0.28 2.72 -0.02 -1.26 -4.70 135.00 135.58 1ywq n PRO 77 Ca -0.17 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1ywq n PRO 77 Cb 0.52 -2.27 0.22 0.00 -0.02 0.00 0.00 33.50 31.95 1ywq n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ywq h ALA 78 N 1.14 1.04 0.00 3.55 0.00 -1.99 -1.04 119.26 121.96 1ywq h ALA 78 Ca -0.48 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ywq h ALA 78 Cb 1.33 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ywq h ALA 78 CO 0.55 -0.43 -0.02 1.05 0.00 0.00 0.00 179.25 180.39 1ywq h GLU 79 N 0.17 0.00 0.00 0.00 9.09 -2.04 -3.03 114.58 118.77 1ywq h GLU 79 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1ywq h GLU 79 Cb 0.91 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.01 1ywq h GLU 79 CO -0.65 0.02 -0.72 0.09 0.05 0.00 0.00 179.01 177.80 1ywq n ASN 80 N -3.33 0.75 -0.01 3.06 5.03 -0.43 -4.75 115.26 115.58 1ywq n ASN 80 Ca -0.02 -0.73 -0.08 0.00 0.87 0.00 0.00 54.58 54.62 1ywq n ASN 80 Cb 0.14 1.06 -0.05 0.00 -1.02 0.00 0.00 39.78 39.91 1ywq n ASN 80 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 1ywq h PHE 81 N 0.00 -0.87 -0.98 3.10 3.57 -1.33 -0.52 116.94 119.91 1ywq h PHE 81 Ca 0.00 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.71 1ywq h PHE 81 Cb 0.34 0.39 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 1ywq h PHE 81 CO 0.00 -0.29 0.61 1.49 -2.23 0.00 0.00 178.31 177.89 1ywq h GLU 82 N -0.30 0.74 -0.30 1.11 4.57 -1.85 0.13 114.58 118.67 1ywq h GLU 82 Ca 0.02 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 1ywq h GLU 82 Cb 0.36 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ywq h GLU 82 CO -0.24 0.49 -0.35 0.00 -1.18 0.00 0.00 179.01 177.72 1ywq h ALA 83 N 1.61 0.83 -0.31 2.92 0.00 -1.77 -2.46 119.26 120.08 1ywq h ALA 83 Ca 0.53 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1ywq h ALA 83 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ywq h ALA 83 CO -0.31 0.64 -0.39 1.15 0.00 0.00 0.00 179.25 180.35 1ywq h THR 84 N 0.56 1.29 -0.06 0.00 2.02 0.64 -3.22 112.91 114.14 1ywq h THR 84 Ca 0.06 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1ywq h THR 84 Cb 0.86 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1ywq h THR 84 CO 0.07 0.50 0.00 1.33 0.37 0.00 0.00 175.52 177.80 1ywq n VAL 85 N -4.04 0.06 -0.17 3.16 0.24 -0.56 -4.38 118.33 112.64 1ywq n VAL 85 Ca -0.02 -0.39 -0.04 0.00 -2.04 0.00 0.00 64.34 61.86 1ywq n VAL 85 Cb 0.52 0.91 0.06 0.00 -1.47 0.00 0.00 33.84 33.86 1ywq n VAL 85 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1ywq h GLU 86 N 3.40 0.45 0.00 7.34 4.57 -1.45 -1.85 114.58 127.04 1ywq h GLU 86 Ca 0.00 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1ywq h GLU 86 Cb 0.73 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1ywq h GLU 86 CO 0.00 0.30 -0.10 0.07 -1.18 0.00 0.00 179.01 178.10 1ywq h ARG 87 N 0.46 0.00 0.00 1.92 0.11 -1.80 -2.52 114.38 112.54 1ywq h ARG 87 Ca 0.24 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.31 1ywq h ARG 87 Cb 0.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 1ywq h ARG 87 CO -0.19 0.10 -0.05 -0.07 0.10 0.00 0.00 179.97 179.86 1ywq h LEU 88 N 0.00 0.00 -0.03 0.08 3.38 -1.61 -2.82 115.31 114.31 1ywq h LEU 88 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywq h LEU 88 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ywq h LEU 88 CO 0.01 0.05 0.02 0.11 0.09 0.00 0.00 178.44 178.72 1ywq h LYS 89 N 0.00 0.04 0.00 1.13 1.57 -1.54 -0.70 116.57 117.07 1ywq h LYS 89 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ywq h LYS 89 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ywq h LYS 89 CO 0.01 0.03 0.00 0.78 -0.57 0.00 0.00 179.45 179.70 1ywq h GLY 90 N 0.04 0.00 0.00 3.86 0.00 -1.69 -1.72 103.07 103.56 1ywq h GLY 90 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.06 1ywq h GLY 90 CO -0.00 0.00 -1.60 0.69 0.00 0.00 0.00 176.54 175.63 1ywq n PHE 91 N -2.67 0.67 -0.11 5.60 3.72 -0.94 -1.28 117.46 122.46 1ywq n PHE 91 Ca -0.02 0.29 0.25 0.00 -0.05 0.00 0.00 57.45 57.92 1ywq n PHE 91 Cb 0.06 -1.03 0.71 0.00 -0.94 0.00 0.00 39.48 38.28 1ywq n PHE 91 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ywq h HIS 92 N -1.00 0.00 0.00 1.38 2.76 -0.86 0.20 115.15 117.63 1ywq h HIS 92 Ca -0.43 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1ywq h HIS 92 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.30 1ywq h HIS 92 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 1ywq h ALA 93 N 1.61 1.00 -1.97 5.26 0.00 -1.50 -3.44 119.26 120.23 1ywq h ALA 93 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.87 1ywq h ALA 93 Cb 1.44 0.00 0.20 0.00 0.00 0.00 0.00 17.79 19.44 1ywq h ALA 93 CO -0.00 0.00 0.02 0.20 0.00 0.00 0.00 179.25 179.47 1ywq s GLY 94 N -3.86 1.51 -0.07 0.00 0.00 0.68 -3.28 107.32 102.30 1ywq s GLY 94 Ca 0.06 -0.94 -0.26 0.00 0.00 0.00 0.00 44.72 43.58 1ywq s GLY 94 CO 0.56 0.02 1.02 -2.08 0.00 0.00 0.00 173.10 172.61 1ywq h VAL 95 N -2.99 1.58 -2.73 1.40 2.07 -1.33 -3.43 116.25 110.81 1ywq h VAL 95 Ca -0.43 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 1ywq h VAL 95 Cb 1.31 2.79 0.01 0.00 -1.52 0.00 0.00 31.29 33.88 1ywq h VAL 95 CO 0.30 0.49 0.22 0.61 0.02 0.00 0.00 177.57 179.20 1ywq n GLY 96 N 0.98 1.22 2.84 2.17 0.00 -1.15 -1.27 105.19 109.98 1ywq n GLY 96 Ca -0.09 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1ywq n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ywq s THR 97 N -2.32 -0.02 -0.23 2.61 2.01 0.23 -1.00 115.64 116.92 1ywq s THR 97 Ca 0.12 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 1ywq s THR 97 Cb -0.04 -0.04 -0.05 0.00 0.01 0.00 0.00 72.50 72.39 1ywq s THR 97 CO 0.09 0.03 0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 1ywq s VAL 98 N 0.38 5.31 -0.28 3.82 1.01 -0.70 -0.69 120.40 129.24 1ywq s VAL 98 Ca -0.03 0.33 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1ywq s VAL 98 Cb -0.05 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1ywq s VAL 98 CO -0.01 0.31 0.19 -0.76 0.00 0.00 0.00 175.10 174.83 1ywq s LEU 99 N 1.18 4.02 -0.30 3.92 1.43 0.13 -1.06 118.68 128.00 1ywq s LEU 99 Ca 0.11 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1ywq s LEU 99 Cb -0.14 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1ywq s LEU 99 CO 0.06 -0.05 0.24 -0.36 0.23 0.00 0.00 176.35 176.46 1ywq s PHE 100 N 1.76 3.22 0.35 0.29 0.08 -0.07 -0.95 117.98 122.67 1ywq s PHE 100 Ca 0.07 0.07 0.09 0.00 0.12 0.00 0.00 56.93 57.27 1ywq s PHE 100 Cb -0.16 -2.45 -0.06 0.00 -0.57 0.00 0.00 43.02 39.78 1ywq s PHE 100 CO 0.11 -0.24 -0.02 -0.06 -0.10 0.00 0.00 175.22 174.91 1ywq s PHE 101 N 1.81 2.49 -0.09 0.36 0.40 0.88 0.07 117.98 123.90 1ywq s PHE 101 Ca 0.08 -0.49 -0.00 0.00 -0.60 0.00 0.00 56.93 55.91 1ywq s PHE 101 Cb -0.16 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 41.89 1ywq s PHE 101 CO 0.11 0.50 -0.05 -2.00 0.70 0.00 0.00 175.22 174.48 1ywq s GLU 102 N -3.68 1.16 -0.51 0.44 2.56 -0.64 -1.12 118.70 116.90 1ywq s GLU 102 Ca 0.34 -0.13 -0.28 0.00 0.00 0.00 0.00 54.97 54.91 1ywq s GLU 102 Cb 0.02 -1.29 -0.00 0.00 2.00 0.00 0.00 34.13 34.86 1ywq s GLU 102 CO 0.18 -0.24 1.58 0.34 -0.56 0.00 0.00 175.26 176.56 1ywq s ASP 103 N 1.65 5.93 0.38 -1.70 -1.08 0.13 -1.60 116.67 120.38 1ywq s ASP 103 Ca 0.02 0.55 0.17 0.00 -0.52 0.00 0.00 52.55 52.77 1ywq s ASP 103 Cb -0.13 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.53 1ywq s ASP 103 CO -0.06 -1.81 1.78 1.56 0.52 0.00 0.00 175.17 177.16 1ywq h GLN 104 N 12.16 0.00 -0.33 4.34 1.08 -0.22 -2.85 115.11 129.30 1ywq h GLN 104 Ca -0.28 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.85 1ywq h GLN 104 Cb 1.12 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.54 1ywq h GLN 104 CO 1.15 0.38 -0.10 0.00 -0.95 0.00 0.00 178.83 179.31 1ywq h ALA 105 N 1.62 1.23 -0.17 3.87 0.00 -1.90 -1.21 119.26 122.70 1ywq h ALA 105 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1ywq h ALA 105 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ywq h ALA 105 CO 0.05 0.50 -0.03 1.15 0.00 0.00 0.00 179.25 180.92 1ywq h THR 106 N 0.51 1.28 -0.19 0.00 2.02 -1.87 -1.01 112.91 113.64 1ywq h THR 106 Ca 0.10 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.33 1ywq h THR 106 Cb 0.48 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1ywq h THR 106 CO 0.03 0.29 0.07 0.58 0.37 0.00 0.00 175.52 176.85 1ywq h VAL 107 N 0.04 0.96 -0.85 3.16 2.07 -1.40 -0.40 116.25 119.84 1ywq h VAL 107 Ca 0.04 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1ywq h VAL 107 Cb 0.45 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1ywq h VAL 107 CO 0.01 0.03 0.56 -0.33 0.02 0.00 0.00 177.57 177.87 1ywq h GLU 108 N 0.17 1.10 -0.29 1.57 5.08 -1.16 -1.04 114.58 120.01 1ywq h GLU 108 Ca 0.08 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1ywq h GLU 108 Cb 0.04 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1ywq h GLU 108 CO -0.08 0.73 -0.38 -0.22 -1.00 0.00 0.00 179.01 178.06 1ywq h LYS 109 N 1.13 0.77 0.00 2.33 1.63 -0.74 -2.88 116.57 118.81 1ywq h LYS 109 Ca 0.31 -0.44 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1ywq h LYS 109 Cb -0.11 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.55 1ywq h LYS 109 CO -0.07 1.07 -0.15 0.52 -3.45 0.00 0.00 179.45 177.37 1ywq h MET 110 N 0.52 0.00 0.00 1.90 2.86 -0.64 0.55 114.93 120.11 1ywq h MET 110 Ca 0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1ywq h MET 110 Cb 0.98 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1ywq h MET 110 CO 0.09 0.15 -0.25 1.96 1.06 0.00 0.00 176.91 179.92 1ywq h GLN 111 N 0.00 0.00 0.12 1.72 4.20 -1.00 0.23 115.11 120.38 1ywq h GLN 111 Ca -0.00 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 1ywq h GLN 111 Cb 0.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1ywq h GLN 111 CO 0.02 0.25 -1.11 0.93 -0.67 0.00 0.00 178.83 178.25 1ywq h GLU 112 N 0.00 0.25 -0.21 1.46 5.08 -0.79 -3.09 114.58 117.28 1ywq h GLU 112 Ca -0.00 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 1ywq h GLU 112 Cb 0.65 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1ywq h GLU 112 CO 0.03 1.21 -0.34 -0.91 -1.00 0.00 0.00 179.01 178.00 1ywq h ASN 113 N -0.38 0.45 -2.20 1.42 2.35 -0.96 -3.32 115.58 112.95 1ywq h ASN 113 Ca -0.23 -0.18 -0.57 0.00 -0.55 0.00 0.00 56.30 54.78 1ywq h ASN 113 Cb 1.67 -0.13 -0.41 0.00 0.05 0.00 0.00 38.32 39.50 1ywq h ASN 113 CO 0.09 0.77 -0.78 0.00 -1.65 0.00 0.00 177.43 175.86 1ywq n ALA 114 N -2.49 3.93 0.14 -0.83 0.00 0.06 -4.92 120.51 116.40 1ywq n ALA 114 Ca -0.01 -4.38 0.18 0.00 0.00 0.00 0.00 53.44 49.23 1ywq n ALA 114 Cb 0.46 -0.80 0.60 0.00 0.00 0.00 0.00 19.45 19.71 1ywq n ALA 114 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ywq h PRO 115 N 3.18 0.00 0.00 0.00 0.13 -1.64 0.26 132.00 133.93 1ywq h PRO 115 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ywq h PRO 115 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1ywq h PRO 115 CO 0.74 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.44 1ywq h LEU 116 N 0.00 0.00 -2.49 1.56 4.07 -1.91 -2.75 115.31 113.80 1ywq h LEU 116 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1ywq h LEU 116 Cb 1.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1ywq h LEU 116 CO -0.00 0.00 -0.09 -1.22 -1.08 0.00 0.00 178.44 176.05 1ywq n TYR 117 N -2.49 0.00 -0.35 1.13 4.01 0.89 -4.84 117.16 115.51 1ywq n TYR 117 Ca 0.01 -0.50 0.30 0.00 -0.16 0.00 0.00 57.90 57.55 1ywq n TYR 117 Cb 0.20 -0.08 0.62 0.00 -0.31 0.00 0.00 39.34 39.78 1ywq n TYR 117 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1ywq h LYS 118 N 0.00 0.20 0.00 -0.72 2.10 -1.32 0.22 116.57 117.05 1ywq h LYS 118 Ca 0.00 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1ywq h LYS 118 Cb 0.91 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1ywq h LYS 118 CO 0.00 0.13 -0.18 -0.44 -2.00 0.00 0.00 179.45 176.96 1ywq h ASP 119 N 0.20 0.00 0.47 7.07 3.32 -1.88 -3.34 116.42 122.26 1ywq h ASP 119 Ca 0.63 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.38 1ywq h ASP 119 Cb 1.99 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.51 1ywq h ASP 119 CO -0.21 0.03 -1.65 1.56 -1.72 0.00 0.00 179.24 177.25 1ywq h GLN 120 N 0.00 0.09 -1.02 3.56 4.20 -0.95 -3.39 115.11 117.60 1ywq h GLN 120 Ca -0.00 -0.16 0.26 0.00 0.06 0.00 0.00 58.65 58.81 1ywq h GLN 120 Cb 1.03 0.06 -0.12 0.00 0.30 0.00 0.00 27.48 28.74 1ywq h GLN 120 CO 0.00 0.78 0.62 0.74 -0.67 0.00 0.00 178.83 180.30 1ywq h PHE 121 N 0.02 0.92 -0.16 2.96 0.04 -1.57 0.14 116.94 119.29 1ywq h PHE 121 Ca -0.27 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.50 1ywq h PHE 121 Cb 1.99 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.87 1ywq h PHE 121 CO 0.02 0.04 -0.05 -1.35 -0.60 0.00 0.00 178.31 176.38 1ywq h PRO 122 N 0.51 0.24 0.17 1.51 0.11 -1.79 -1.16 132.00 131.59 1ywq h PRO 122 Ca 0.65 -0.04 -0.34 0.00 0.11 0.00 0.00 66.00 66.38 1ywq h PRO 122 Cb 1.35 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.43 1ywq h PRO 122 CO -0.45 0.31 -1.69 0.74 -0.21 0.00 0.00 178.00 176.71 1ywq h PHE 123 N 0.24 0.65 0.00 0.65 0.04 -1.08 -3.26 116.94 114.17 1ywq h PHE 123 Ca 0.05 -0.47 -0.01 0.00 2.80 0.00 0.00 57.97 60.34 1ywq h PHE 123 Cb 0.25 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1ywq h PHE 123 CO 0.00 1.59 -0.06 -1.49 -0.60 0.00 0.00 178.31 177.75 1ywq h TRP 124 N 0.10 0.00 0.00 -0.55 6.55 -0.83 0.53 115.95 121.75 1ywq h TRP 124 Ca -0.31 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.53 1ywq h TRP 124 Cb 2.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.38 1ywq h TRP 124 CO 0.09 0.06 -0.00 1.03 -1.05 0.00 0.00 178.44 178.57 1ywq h SER 125 N 0.00 -0.00 -0.07 -3.49 0.87 -1.27 0.17 113.55 109.76 1ywq h SER 125 Ca -0.00 -0.28 -0.11 0.00 -1.23 0.00 0.00 61.79 60.17 1ywq h SER 125 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1ywq h SER 125 CO 0.01 0.28 -0.28 0.45 -0.53 0.00 0.00 176.83 176.75 1ywq h HIS 126 N -0.28 0.60 0.04 2.24 3.86 -1.27 -2.34 115.15 118.00 1ywq h HIS 126 Ca -0.00 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1ywq h HIS 126 Cb 0.28 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1ywq h HIS 126 CO 0.02 0.76 -0.02 1.96 0.86 0.00 0.00 177.93 181.52 1ywq h GLN 127 N 0.46 -0.05 -0.86 2.45 4.20 -0.78 -1.27 115.11 119.26 1ywq h GLN 127 Ca 0.06 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.81 1ywq h GLN 127 Cb 0.73 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1ywq h GLN 127 CO 0.06 0.20 0.55 0.78 -0.67 0.00 0.00 178.83 179.75 1ywq h GLY 128 N -0.29 1.26 1.75 3.46 0.00 -0.60 -0.85 103.07 107.79 1ywq h GLY 128 Ca -0.01 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1ywq h GLY 128 CO 0.01 0.34 -0.43 -0.57 0.00 0.00 0.00 176.54 175.89 1ywq h ASN 129 N 1.05 0.30 -0.21 0.19 -0.73 -1.35 -2.34 115.58 112.49 1ywq h ASN 129 Ca 0.35 -0.13 -0.07 0.00 1.87 0.00 0.00 56.30 58.32 1ywq h ASN 129 Cb 0.05 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 38.55 1ywq h ASN 129 CO -0.13 0.70 -0.13 0.00 -0.37 0.00 0.00 177.43 177.50 1ywq h ALA 130 N 1.32 0.30 -0.81 1.57 0.00 -0.55 0.11 119.26 121.19 1ywq h ALA 130 Ca 0.02 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1ywq h ALA 130 Cb 0.86 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1ywq h ALA 130 CO 0.07 0.17 0.51 0.52 0.00 0.00 0.00 179.25 180.51 1ywq h MET 131 N 0.16 0.92 -0.24 0.00 2.86 -1.06 0.45 114.93 118.02 1ywq h MET 131 Ca 0.04 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1ywq h MET 131 Cb 0.64 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1ywq h MET 131 CO 0.04 0.61 -0.00 1.25 1.06 0.00 0.00 176.91 179.86 1ywq h LEU 132 N 0.95 0.42 -0.28 1.22 5.85 -1.27 -1.70 115.31 120.50 1ywq h LEU 132 Ca 0.34 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ywq h LEU 132 Cb 0.10 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1ywq h LEU 132 CO -0.15 0.63 0.08 1.56 -0.34 0.00 0.00 178.44 180.22 1ywq h GLN 133 N 0.19 0.20 -0.77 1.25 4.20 -0.24 -1.86 115.11 118.08 1ywq h GLN 133 Ca 0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1ywq h GLN 133 Cb 0.41 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1ywq h GLN 133 CO 0.01 0.13 0.33 1.25 -0.67 0.00 0.00 178.83 179.89 1ywq h HIS 134 N 0.20 1.14 -0.15 2.96 2.76 -0.87 -1.29 115.15 119.90 1ywq h HIS 134 Ca 0.13 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1ywq h HIS 134 Cb 0.11 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1ywq h HIS 134 CO -0.14 0.84 0.06 1.15 -1.30 0.00 0.00 177.93 178.54 1ywq h THR 135 N 1.11 1.16 -0.54 6.26 2.02 -0.94 -1.19 112.91 120.79 1ywq h THR 135 Ca 0.26 -0.47 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1ywq h THR 135 Cb 0.17 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 1ywq h THR 135 CO -0.03 0.15 0.27 0.58 0.37 0.00 0.00 175.52 176.85 1ywq h VAL 136 N 0.08 0.93 -0.13 3.16 2.07 -1.17 -0.63 116.25 120.55 1ywq h VAL 136 Ca 0.05 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ywq h VAL 136 Cb 0.18 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1ywq h VAL 136 CO -0.00 0.09 -0.11 -0.25 0.02 0.00 0.00 177.57 177.32 1ywq h TRP 137 N 0.51 -0.27 -0.68 1.57 2.91 -0.91 -0.60 115.95 118.48 1ywq h TRP 137 Ca 0.25 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.25 1ywq h TRP 137 Cb 0.17 0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 1ywq h TRP 137 CO -0.11 -0.17 0.30 0.52 -1.03 0.00 0.00 178.44 177.96 1ywq h MET 138 N -0.12 0.99 -0.41 2.65 2.86 -0.85 -1.95 114.93 118.10 1ywq h MET 138 Ca 0.09 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1ywq h MET 138 Cb 0.25 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1ywq h MET 138 CO -0.21 0.80 0.20 -0.07 1.06 0.00 0.00 176.91 178.69 1ywq h LEU 139 N 0.95 0.54 -0.04 1.22 3.38 -0.79 0.35 115.31 120.92 1ywq h LEU 139 Ca 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ywq h LEU 139 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ywq h LEU 139 CO -0.02 0.51 0.02 -0.07 0.09 0.00 0.00 178.44 178.97 1ywq h LEU 140 N 0.52 0.04 -1.27 1.67 3.38 -0.98 -2.15 115.31 116.53 1ywq h LEU 140 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ywq h LEU 140 Cb 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1ywq h LEU 140 CO -0.02 0.07 0.42 0.28 0.09 0.00 0.00 178.44 179.28 1ywq h SER 141 N 0.02 0.81 0.13 -0.43 0.02 -1.19 -0.22 113.55 112.69 1ywq h SER 141 Ca 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1ywq h SER 141 Cb 0.03 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 1ywq h SER 141 CO -0.00 0.61 -0.06 0.00 -1.14 0.00 0.00 176.83 176.23 1ywq h ALA 142 N 1.53 1.55 -0.55 3.77 0.00 -0.46 -0.52 119.26 124.58 1ywq h ALA 142 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ywq h ALA 142 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ywq h ALA 142 CO -0.05 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1ywq n GLU 143 N -3.97 3.65 -1.61 0.00 1.02 -0.24 -4.18 120.64 115.32 1ywq n GLU 143 Ca -0.03 -2.57 -0.10 0.00 -0.02 0.00 0.00 57.16 54.44 1ywq n GLU 143 Cb 0.15 -1.91 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 1ywq n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ywq n GLY 144 N 0.92 0.74 3.43 0.62 0.00 -0.20 -4.94 105.19 105.76 1ywq n GLY 144 Ca 0.23 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1ywq n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ywq s ILE 145 N -2.43 4.22 0.41 -0.61 1.01 -0.36 -4.46 121.20 118.98 1ywq s ILE 145 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 60.65 60.16 1ywq s ILE 145 Cb 0.00 -2.99 -0.08 0.00 0.01 0.00 0.00 42.46 39.40 1ywq s ILE 145 CO 0.00 0.32 1.14 -0.83 0.00 0.00 0.00 174.94 175.57 1ywq s GLY 146 N 1.60 2.81 0.18 6.18 0.00 0.17 -3.27 107.32 115.00 1ywq s GLY 146 Ca 0.06 0.89 -0.20 0.00 0.00 0.00 0.00 44.72 45.47 1ywq s GLY 146 CO 0.03 1.37 0.57 0.00 0.00 0.00 0.00 173.10 175.07 1ywq s ALA 147 N -1.51 -1.29 0.14 3.20 0.00 -1.25 -0.94 121.76 120.11 1ywq s ALA 147 Ca 0.59 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.58 1ywq s ALA 147 Cb -0.28 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 1ywq s ALA 147 CO 0.35 -0.79 0.28 -1.54 0.00 0.00 0.00 175.76 174.05 1ywq s SER 148 N -2.81 0.03 -0.23 0.00 1.04 -1.14 -0.37 113.70 110.22 1ywq s SER 148 Ca 0.05 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 55.69 1ywq s SER 148 Cb -0.01 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 1ywq s SER 148 CO -0.08 -0.85 -0.02 -0.22 0.98 0.00 0.00 173.24 173.06 1ywq s LEU 149 N -2.92 3.03 0.27 2.42 2.96 -1.26 -3.46 118.68 119.71 1ywq s LEU 149 Ca 0.12 -0.35 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1ywq s LEU 149 Cb 0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 1ywq s LEU 149 CO -0.05 -0.02 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.80 1ywq s GLN 150 N 1.51 2.12 -0.39 1.98 -1.52 0.19 -4.97 119.66 118.58 1ywq s GLN 150 Ca 0.06 -1.50 0.01 0.00 -1.95 0.00 0.00 55.36 51.98 1ywq s GLN 150 Cb -0.14 -2.06 0.15 0.00 -0.22 0.00 0.00 33.01 30.74 1ywq s GLN 150 CO -0.02 0.36 0.26 -1.01 -0.25 0.00 0.00 175.29 174.63 1ywq s HIS 151 N -2.34 1.04 -2.18 0.91 3.76 -1.26 -1.42 115.29 113.80 1ywq s HIS 151 Ca 0.31 -1.95 0.21 0.00 -0.15 0.00 0.00 55.06 53.47 1ywq s HIS 151 Cb -0.06 -1.08 0.39 0.00 1.11 0.00 0.00 32.58 32.94 1ywq s HIS 151 CO 0.18 -0.82 1.34 0.66 -0.85 0.00 0.00 174.74 175.26 1ywq n TYR 152 N 3.61 0.47 -2.60 1.40 4.01 -1.26 -4.87 117.16 117.92 1ywq n TYR 152 Ca 0.17 -0.27 -0.32 0.00 -0.16 0.00 0.00 57.90 57.31 1ywq n TYR 152 Cb 0.40 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 1ywq n TYR 152 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ywq s ASN 153 N -1.36 6.76 0.00 7.72 4.22 -1.26 -2.49 114.94 128.53 1ywq s ASN 153 Ca 0.35 1.60 0.26 0.00 -2.14 0.00 0.00 52.86 52.94 1ywq s ASN 153 Cb 0.21 -2.51 0.72 0.00 1.28 0.00 0.00 41.25 40.94 1ywq s ASN 153 CO 0.28 -0.48 1.55 -0.81 -2.04 0.00 0.00 177.10 175.60 1ywq n PRO 154 N -1.16 1.65 0.29 3.55 -0.04 -1.26 -4.89 135.00 133.14 1ywq n PRO 154 Ca 0.07 -1.11 0.14 0.00 -0.04 0.00 0.00 63.50 62.56 1ywq n PRO 154 Cb 0.54 -1.48 0.88 0.00 -0.04 0.00 0.00 33.50 33.40 1ywq n PRO 154 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1ywq h ILE 155 N 2.72 0.55 -0.01 0.52 3.07 -1.90 -2.32 117.51 120.14 1ywq h ILE 155 Ca 0.00 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.34 1ywq h ILE 155 Cb 0.64 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1ywq h ILE 155 CO 0.00 0.02 -0.35 1.33 -1.05 0.00 0.00 178.15 178.10 1ywq n VAL 156 N -3.85 0.00 -0.12 0.16 0.24 -1.04 -4.69 118.33 109.04 1ywq n VAL 156 Ca -0.03 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.84 1ywq n VAL 156 Cb 0.10 1.23 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 1ywq n VAL 156 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1ywq h ASP 157 N 2.19 -1.48 -0.32 -1.34 5.19 -1.68 -0.83 116.42 118.16 1ywq h ASP 157 Ca 0.00 0.19 0.07 0.00 -0.62 0.00 0.00 57.03 56.67 1ywq h ASP 157 Cb 0.64 0.61 -0.08 0.00 0.18 0.00 0.00 39.33 40.67 1ywq h ASP 157 CO 0.00 -0.31 -0.35 0.00 -3.12 0.00 0.00 179.24 175.45 1ywq h ALA 158 N -0.30 -0.31 -0.05 3.45 0.00 -1.84 0.18 119.26 120.39 1ywq h ALA 158 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ywq h ALA 158 Cb 0.46 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1ywq h ALA 158 CO -0.48 -0.79 -0.04 1.49 0.00 0.00 0.00 179.25 179.44 1ywq h GLU 159 N -0.32 -0.04 -0.17 0.00 4.81 -1.83 -1.33 114.58 115.69 1ywq h GLU 159 Ca 0.14 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1ywq h GLU 159 Cb 0.56 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1ywq h GLU 159 CO -0.49 -0.03 0.01 0.28 -0.73 0.00 0.00 179.01 178.05 1ywq h VAL 160 N -0.04 0.90 -0.59 0.32 2.07 -0.75 -0.31 116.25 117.84 1ywq h VAL 160 Ca 0.03 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1ywq h VAL 160 Cb 0.09 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1ywq h VAL 160 CO -0.08 0.01 0.24 0.50 0.02 0.00 0.00 177.57 178.27 1ywq h LYS 161 N 0.08 0.43 -0.16 1.57 1.63 -0.47 -2.23 116.57 117.42 1ywq h LYS 161 Ca 0.08 -0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.67 1ywq h LYS 161 Cb 0.09 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1ywq h LYS 161 CO -0.12 0.29 -0.64 1.49 -3.45 0.00 0.00 179.45 177.02 1ywq h GLU 162 N 0.45 0.60 -0.00 1.90 4.22 -0.89 -1.38 114.58 119.48 1ywq h GLU 162 Ca 0.29 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1ywq h GLU 162 Cb 0.31 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ywq h GLU 162 CO -0.26 1.04 -0.10 0.25 -2.18 0.00 0.00 179.01 177.76 1ywq n THR 163 N -3.93 0.00 -1.62 0.32 -2.24 -0.16 -3.77 114.28 102.88 1ywq n THR 163 Ca -0.04 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 1ywq n THR 163 Cb 0.66 -0.25 0.07 0.00 -2.10 0.00 0.00 70.33 68.71 1ywq n THR 163 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1ywq n TRP 164 N -1.21 0.00 -3.91 4.78 8.01 -0.86 -5.04 117.44 119.22 1ywq n TRP 164 Ca 0.12 -0.48 -0.38 0.00 -1.31 0.00 0.00 57.50 55.45 1ywq n TRP 164 Cb 0.29 -0.10 0.02 0.00 -2.01 0.00 0.00 31.31 29.51 1ywq n TRP 164 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1ywq n ASN 165 N -0.61 -4.65 -4.76 -0.99 3.02 -0.90 -4.94 115.26 101.43 1ywq n ASN 165 Ca 0.07 -1.14 -0.37 0.00 -0.03 0.00 0.00 54.58 53.11 1ywq n ASN 165 Cb 0.69 -2.14 -0.07 0.00 -0.61 0.00 0.00 39.78 37.66 1ywq n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ywq s ILE 166 N -3.39 5.26 0.59 2.41 -1.09 -0.57 -5.04 121.20 119.37 1ywq s ILE 166 Ca 0.38 0.61 -0.18 0.00 -2.23 0.00 0.00 60.65 59.24 1ywq s ILE 166 Cb -0.19 -3.65 -0.08 0.00 -1.58 0.00 0.00 42.46 36.97 1ywq s ILE 166 CO 0.93 0.43 0.59 -2.65 -1.23 0.00 0.00 174.94 173.01 1ywq n PRO 167 N 3.17 0.55 0.15 2.79 -0.02 -1.26 -4.85 135.00 135.53 1ywq n PRO 167 Ca -0.12 0.22 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 1ywq n PRO 167 Cb 0.52 -1.79 0.39 0.00 -0.02 0.00 0.00 33.50 32.61 1ywq n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ywq h ALA 168 N 0.21 1.49 0.00 3.55 0.00 -1.97 -2.89 119.26 119.64 1ywq h ALA 168 Ca -0.46 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ywq h ALA 168 Cb 1.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ywq h ALA 168 CO 0.47 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.48 1ywq n GLU 169 N -4.23 0.78 -3.50 0.00 4.71 -1.26 -4.69 120.64 112.45 1ywq n GLU 169 Ca -0.01 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.75 1ywq n GLU 169 Cb 0.30 -1.41 -0.10 0.00 -1.01 0.00 0.00 31.44 29.22 1ywq n GLU 169 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1ywq s TRP 170 N -2.00 3.24 -0.15 -0.32 0.52 -1.09 0.55 118.94 119.69 1ywq s TRP 170 Ca 0.31 0.27 -0.07 0.00 0.02 0.00 0.00 56.10 56.63 1ywq s TRP 170 Cb 0.14 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 1ywq s TRP 170 CO 0.24 -0.17 0.09 -1.54 0.02 0.00 0.00 176.95 175.59 1ywq s SER 171 N 1.65 5.96 -0.07 2.95 1.04 -0.62 -4.85 113.70 119.75 1ywq s SER 171 Ca 0.11 0.27 -0.30 0.00 0.48 0.00 0.00 55.95 56.51 1ywq s SER 171 Cb -0.16 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1ywq s SER 171 CO 0.10 0.30 1.41 -0.22 0.98 0.00 0.00 173.24 175.81 1ywq s LEU 172 N -0.38 4.27 -0.18 2.42 2.96 -1.26 -1.63 118.68 124.89 1ywq s LEU 172 Ca 0.10 1.99 0.08 0.00 -0.22 0.00 0.00 54.13 56.08 1ywq s LEU 172 Cb -0.12 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.86 1ywq s LEU 172 CO 0.02 -0.78 -0.05 0.52 -1.32 0.00 0.00 176.35 174.74 1ywq n VAL 173 N 5.10 1.11 -3.61 1.68 0.31 0.11 -4.87 118.33 118.16 1ywq n VAL 173 Ca 0.14 -0.56 -0.02 0.00 -0.01 0.00 0.00 64.34 63.89 1ywq n VAL 173 Cb 0.44 -0.87 -0.01 0.00 -0.91 0.00 0.00 33.84 32.48 1ywq n VAL 173 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ywq s GLY 174 N -5.40 -0.35 -0.03 2.92 0.00 -1.10 -4.94 107.32 98.42 1ywq s GLY 174 Ca -0.17 1.02 0.03 0.00 0.00 0.00 0.00 44.72 45.61 1ywq s GLY 174 CO 0.56 0.29 -0.12 1.20 0.00 0.00 0.00 173.10 175.04 1ywq s GLN 175 N -2.60 1.26 -0.51 2.90 1.11 -0.51 -0.89 119.66 120.42 1ywq s GLN 175 Ca 0.11 -0.41 0.04 0.00 0.01 0.00 0.00 55.36 55.11 1ywq s GLN 175 Cb 0.01 -1.13 0.13 0.00 -1.01 0.00 0.00 33.01 31.01 1ywq s GLN 175 CO -0.04 0.15 0.27 1.41 0.01 0.00 0.00 175.29 177.09 1ywq s MET 176 N 0.17 1.83 0.04 2.91 1.75 -0.22 0.53 119.30 126.30 1ywq s MET 176 Ca -0.04 -2.52 -0.30 0.00 -1.25 0.00 0.00 55.69 51.58 1ywq s MET 176 Cb -0.10 -3.07 -0.05 0.00 2.84 0.00 0.00 34.83 34.45 1ywq s MET 176 CO 0.01 -1.14 1.17 -1.25 -0.65 0.00 0.00 175.02 173.17 1ywq s PRO 177 N -0.21 4.43 0.25 4.11 0.04 -1.22 -1.72 135.00 140.68 1ywq s PRO 177 Ca 0.18 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1ywq s PRO 177 Cb -0.24 -3.39 -0.05 0.00 0.04 0.00 0.00 34.50 30.85 1ywq s PRO 177 CO -0.01 -0.26 0.05 -0.59 0.04 0.00 0.00 177.00 176.23 1ywq s PHE 178 N 1.24 1.57 -4.54 0.56 -0.12 -0.17 -2.90 117.98 113.63 1ywq s PHE 178 Ca 0.58 -1.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.39 1ywq s PHE 178 Cb -0.28 -0.94 0.00 0.00 -0.63 0.00 0.00 43.02 41.17 1ywq s PHE 178 CO 0.28 -0.19 0.00 0.41 -0.05 0.00 0.00 175.22 175.67 1ywq n GLY 179 N -0.46 -1.92 3.68 1.99 0.00 -0.12 -1.53 105.19 106.83 1ywq n GLY 179 Ca -0.02 -1.23 -0.47 0.00 0.00 0.00 0.00 46.02 44.29 1ywq n GLY 179 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ywq n GLU 180 N -0.35 2.28 -1.44 1.61 4.07 -0.67 -0.65 120.64 125.49 1ywq n GLU 180 Ca 0.00 0.83 -0.40 0.00 -0.06 0.00 0.00 57.16 57.53 1ywq n GLU 180 Cb 0.00 -2.69 0.02 0.00 -0.06 0.00 0.00 31.44 28.71 1ywq n GLU 180 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1ywq n PRO 181 N 6.41 0.49 -1.11 5.31 -0.02 -1.26 -0.56 135.00 144.27 1ywq n PRO 181 Ca 0.22 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1ywq n PRO 181 Cb 0.31 -1.51 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1ywq n PRO 181 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ywq n ASN 182 N 1.17 -0.22 -3.56 2.55 5.15 -0.31 -4.53 115.26 115.51 1ywq n ASN 182 Ca 0.11 -1.93 -0.12 0.00 -0.60 0.00 0.00 54.58 52.04 1ywq n ASN 182 Cb 0.43 0.06 -0.05 0.00 -0.53 0.00 0.00 39.78 39.68 1ywq n ASN 182 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ywq s GLU 183 N 0.00 0.73 -0.02 1.20 2.12 -1.22 -4.76 118.70 116.75 1ywq s GLU 183 Ca 0.11 0.14 -0.23 0.00 0.36 0.00 0.00 54.97 55.36 1ywq s GLU 183 Cb 0.13 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.82 1ywq s GLU 183 CO -0.06 -0.24 0.67 -0.65 -0.54 0.00 0.00 175.26 174.45 1ywq s GLN 184 N -1.29 4.41 0.49 4.30 -1.52 -1.26 -4.95 119.66 119.84 1ywq s GLN 184 Ca -0.04 0.86 -0.23 0.00 -1.95 0.00 0.00 55.36 54.00 1ywq s GLN 184 Cb -0.00 -3.39 -0.07 0.00 -0.22 0.00 0.00 33.01 29.32 1ywq s GLN 184 CO 0.03 0.22 1.28 -0.35 -0.25 0.00 0.00 175.29 176.22 1ywq n PRO 185 N 3.18 1.74 -1.87 2.91 -0.04 -1.26 -4.96 135.00 134.70 1ywq n PRO 185 Ca -0.04 0.63 -0.33 0.00 -0.04 0.00 0.00 63.50 63.73 1ywq n PRO 185 Cb 0.51 -2.45 0.03 0.00 -0.04 0.00 0.00 33.50 31.55 1ywq n PRO 185 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ywq s ALA 186 N -1.27 2.62 0.39 0.55 0.00 -1.26 -4.98 121.76 117.81 1ywq s ALA 186 Ca 0.67 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.76 1ywq s ALA 186 Cb -0.46 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.31 1ywq s ALA 186 CO 0.53 -1.05 1.39 -2.00 0.00 0.00 0.00 175.76 174.64 1ywq s GLU 187 N -4.22 4.06 -0.07 0.00 2.56 -1.26 -5.01 118.70 114.77 1ywq s GLU 187 Ca 0.64 2.37 0.05 0.00 0.00 0.00 0.00 54.97 58.03 1ywq s GLU 187 Cb -0.17 -2.89 -0.01 0.00 2.00 0.00 0.00 34.13 33.06 1ywq s GLU 187 CO 0.41 -0.49 -0.23 0.50 -0.56 0.00 0.00 175.26 174.89 1ywq s ARG 188 N -2.12 2.49 0.18 4.30 3.52 -1.26 -5.14 118.95 120.93 1ywq s ARG 188 Ca 0.54 -0.82 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 1ywq s ARG 188 Cb -0.43 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1ywq s ARG 188 CO 0.56 0.29 0.12 0.95 -0.81 0.00 0.00 175.30 176.42 1ywq s THR 189 N 0.04 4.36 -0.00 4.11 -4.23 -1.26 -5.13 115.64 113.53 1ywq s THR 189 Ca -0.08 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.29 1ywq s THR 189 Cb -0.14 -3.24 -0.01 0.00 1.34 0.00 0.00 72.50 70.44 1ywq s THR 189 CO 0.05 -0.15 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.47 1ywq s PHE 190 N -1.81 1.32 0.54 3.99 0.40 -1.26 -5.12 117.98 116.03 1ywq s PHE 190 Ca 0.31 -0.27 -0.20 0.00 -0.60 0.00 0.00 56.93 56.17 1ywq s PHE 190 Cb -0.10 -0.83 -0.06 0.00 0.51 0.00 0.00 43.02 42.54 1ywq s PHE 190 CO 0.23 -0.01 1.14 -0.51 0.70 0.00 0.00 175.22 176.78 1ywq s LEU 191 N -0.52 3.78 0.28 -0.37 1.43 -1.26 -4.90 118.68 117.12 1ywq s LEU 191 Ca 0.05 2.22 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 1ywq s LEU 191 Cb -0.06 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.50 1ywq s LEU 191 CO -0.00 -1.22 1.47 -0.81 0.23 0.00 0.00 176.35 176.02 1ywq n PRO 192 N -1.22 2.32 -0.29 1.29 -0.04 -1.26 -4.89 135.00 130.91 1ywq n PRO 192 Ca 0.11 0.82 0.07 0.00 -0.04 0.00 0.00 63.50 64.46 1ywq n PRO 192 Cb 0.50 -2.52 0.22 0.00 -0.04 0.00 0.00 33.50 31.66 1ywq n PRO 192 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1ywq h THR 193 N 3.10 0.72 0.00 0.52 2.02 -1.98 -1.50 112.91 115.79 1ywq h THR 193 Ca -0.46 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1ywq h THR 193 Cb 1.26 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1ywq h THR 193 CO 0.75 0.11 0.00 -1.84 0.37 0.00 0.00 175.52 174.91 1ywq n GLU 194 N -4.89 0.08 0.07 6.66 0.00 -1.26 -1.46 120.64 119.84 1ywq n GLU 194 Ca 0.16 0.51 0.09 0.00 0.00 0.00 0.00 57.16 57.92 1ywq n GLU 194 Cb 0.43 -1.72 -0.05 0.00 0.00 0.00 0.00 31.44 30.10 1ywq n GLU 194 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1ywq n ASP 195 N -1.88 0.69 -0.12 -1.84 8.00 -0.57 -4.23 116.55 116.60 1ywq n ASP 195 Ca 0.00 0.28 0.06 0.00 0.71 0.00 0.00 54.79 55.83 1ywq n ASP 195 Cb 0.07 0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 41.80 1ywq n ASP 195 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1ywq n VAL 196 N -2.65 0.00 -4.14 2.53 0.24 -0.66 -4.96 118.33 108.70 1ywq n VAL 196 Ca -0.03 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.75 1ywq n VAL 196 Cb 0.62 1.06 -0.17 0.00 -1.47 0.00 0.00 33.84 33.88 1ywq n VAL 196 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ywq s VAL 197 N -1.84 0.71 -0.03 3.34 1.01 -0.54 -5.12 120.40 117.93 1ywq s VAL 197 Ca 0.07 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.92 1ywq s VAL 197 Cb 0.09 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1ywq s VAL 197 CO 0.40 0.28 -0.15 -0.54 0.00 0.00 0.00 175.10 175.08 1ywq s LYS 198 N 1.18 1.44 0.03 2.72 -0.14 -1.26 -4.61 119.74 119.10 1ywq s LYS 198 Ca -0.06 -0.55 0.05 0.00 -1.36 0.00 0.00 55.97 54.05 1ywq s LYS 198 Cb -0.14 -1.32 -0.03 0.00 -1.68 0.00 0.00 37.83 34.65 1ywq s LYS 198 CO -0.01 0.27 -0.12 -0.06 -0.76 0.00 0.00 175.35 174.67 1ywq s PHE 199 N -0.13 2.74 0.00 3.18 0.40 -1.26 -5.23 117.98 117.67 1ywq s PHE 199 Ca 0.01 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 1ywq s PHE 199 Cb -0.09 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.91 1ywq s PHE 199 CO 0.01 0.33 0.00 0.66 0.70 0.00 0.00 175.22 176.91