#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9k s VAL 3 N 0.00 4.86 -0.23 -3.33 1.01 -1.26 -4.65 120.40 116.80 1y9k s VAL 3 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1y9k s VAL 3 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1y9k s VAL 3 CO 0.00 0.40 0.06 0.68 0.00 0.00 0.00 175.10 176.25 1y9k s VAL 4 N 0.82 4.38 -0.18 2.92 -7.23 -0.59 -4.93 120.40 115.58 1y9k s VAL 4 Ca 0.05 -0.16 -0.09 0.00 -1.81 0.00 0.00 61.98 59.98 1y9k s VAL 4 Cb -0.13 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 1y9k s VAL 4 CO 0.02 0.37 0.10 -0.63 -0.31 0.00 0.00 175.10 174.65 1y9k s ILE 5 N 1.33 5.16 0.07 -0.62 1.01 -1.26 -0.75 121.20 126.14 1y9k s ILE 5 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 1y9k s ILE 5 Cb -0.15 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1y9k s ILE 5 CO 0.03 0.47 0.21 -1.83 0.00 0.00 0.00 174.94 173.82 1y9k s GLU 6 N 0.18 0.79 0.29 2.79 -1.05 -0.19 -4.97 118.70 116.54 1y9k s GLU 6 Ca 0.07 -0.79 -0.28 0.00 -0.15 0.00 0.00 54.97 53.82 1y9k s GLU 6 Cb -0.12 0.33 -0.09 0.00 -0.44 0.00 0.00 34.13 33.81 1y9k s GLU 6 CO -0.01 -0.25 0.99 0.50 0.95 0.00 0.00 175.26 177.45 1y9k s ARG 7 N -3.27 4.64 0.15 -4.83 6.06 -1.26 -0.45 118.95 119.99 1y9k s ARG 7 Ca 0.00 1.53 0.08 0.00 -2.50 0.00 0.00 55.73 54.84 1y9k s ARG 7 Cb 0.02 -3.04 -0.04 0.00 0.06 0.00 0.00 34.95 31.95 1y9k s ARG 7 CO -0.08 0.30 -0.19 0.96 -2.50 0.00 0.00 175.30 173.79 1y9k s ILE 8 N -1.35 1.77 0.64 4.11 -4.36 -0.96 -4.89 121.20 116.15 1y9k s ILE 8 Ca 0.46 -1.81 -0.14 0.00 -0.26 0.00 0.00 60.65 58.90 1y9k s ILE 8 Cb -0.25 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.69 1y9k s ILE 8 CO 0.31 -0.26 1.07 -2.16 0.24 0.00 0.00 174.94 174.15 1y9k s PRO 9 N -2.56 3.09 0.35 0.37 0.04 -1.26 -4.49 135.00 130.54 1y9k s PRO 9 Ca 0.13 1.16 0.17 0.00 0.04 0.00 0.00 61.00 62.50 1y9k s PRO 9 Cb -0.07 -2.00 1.21 0.00 0.04 0.00 0.00 34.50 33.68 1y9k s PRO 9 CO 0.06 -0.99 1.60 0.87 0.04 0.00 0.00 177.00 178.58 1y9k h LYS 10 N 0.00 0.08 -0.37 4.56 1.57 -1.93 -1.55 116.57 118.92 1y9k h LYS 10 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1y9k h LYS 10 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1y9k h LYS 10 CO 0.56 0.05 0.00 -0.85 -0.57 0.00 0.00 179.45 178.64 1y9k n GLU 11 N -5.24 1.91 -0.12 3.15 0.00 -1.26 -3.57 120.64 115.52 1y9k n GLU 11 Ca 0.34 -1.41 0.06 0.00 0.00 0.00 0.00 57.16 56.15 1y9k n GLU 11 Cb 1.14 -1.32 0.08 0.00 0.00 0.00 0.00 31.44 31.34 1y9k n GLU 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1y9k n ALA 12 N 0.64 2.10 -1.81 -1.84 0.00 -0.58 -5.08 120.51 113.93 1y9k n ALA 12 Ca 0.14 -1.92 -0.41 0.00 0.00 0.00 0.00 53.44 51.24 1y9k n ALA 12 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 1y9k n ALA 12 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1y9k s ILE 13 N -1.89 2.54 -1.23 0.00 -4.36 -1.23 -4.92 121.20 110.11 1y9k s ILE 13 Ca 0.19 0.51 -0.20 0.00 -0.26 0.00 0.00 60.65 60.89 1y9k s ILE 13 Cb 0.16 -3.33 0.01 0.00 1.25 0.00 0.00 42.46 40.55 1y9k s ILE 13 CO 0.02 0.11 1.80 -2.16 0.24 0.00 0.00 174.94 174.95 1y9k s PRO 14 N -1.31 3.36 0.40 0.37 0.04 -1.26 -4.78 135.00 131.83 1y9k s PRO 14 Ca 0.54 -1.58 0.16 0.00 0.04 0.00 0.00 61.00 60.15 1y9k s PRO 14 Cb -0.42 -5.40 1.03 0.00 0.04 0.00 0.00 34.50 29.75 1y9k s PRO 14 CO 0.51 -2.94 1.84 0.87 0.04 0.00 0.00 177.00 177.32 1y9k h LYS 15 N 8.62 0.45 -0.36 4.56 1.57 -1.97 -1.72 116.57 127.72 1y9k h LYS 15 Ca 0.34 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.17 1y9k h LYS 15 Cb 0.91 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 1y9k h LYS 15 CO 1.36 0.30 -0.26 0.66 -0.57 0.00 0.00 179.45 180.94 1y9k h SER 16 N 0.46 -0.87 0.91 0.86 4.64 -1.99 0.34 113.55 117.90 1y9k h SER 16 Ca 0.49 0.17 -0.23 0.00 -0.47 0.00 0.00 61.79 61.76 1y9k h SER 16 Cb 1.15 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 1y9k h SER 16 CO -0.21 -0.28 -1.07 0.25 -0.87 0.00 0.00 176.83 174.65 1y9k h LEU 17 N -0.21 0.09 -1.45 5.97 5.85 -1.78 -3.11 115.31 120.66 1y9k h LEU 17 Ca 0.17 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1y9k h LEU 17 Cb 0.49 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1y9k h LEU 17 CO -0.49 1.08 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.37 1y9k h LEU 18 N 0.02 0.00 -0.76 2.25 3.38 -1.00 -2.53 115.31 116.67 1y9k h LEU 18 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1y9k h LEU 18 Cb 1.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 1y9k h LEU 18 CO 0.14 0.25 -0.11 -0.07 0.09 0.00 0.00 178.44 178.74 1y9k h LEU 19 N 0.00 0.00 -1.04 1.67 3.38 -0.26 -0.64 115.31 118.43 1y9k h LEU 19 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1y9k h LEU 19 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1y9k h LEU 19 CO 0.03 0.11 0.07 0.25 0.09 0.00 0.00 178.44 179.00 1y9k h LEU 20 N 0.00 0.72 0.00 1.67 5.85 -1.47 -3.18 115.31 118.90 1y9k h LEU 20 Ca -0.00 -0.14 -0.33 0.00 0.84 0.00 0.00 57.88 58.25 1y9k h LEU 20 Cb 0.82 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1y9k h LEU 20 CO 0.01 0.74 -2.06 0.00 -0.34 0.00 0.00 178.44 176.79 1y9k n ALA 21 N -2.47 1.50 -3.55 1.25 0.00 -1.11 -4.86 120.51 111.27 1y9k n ALA 21 Ca 0.03 -1.06 -0.28 0.00 0.00 0.00 0.00 53.44 52.12 1y9k n ALA 21 Cb 0.25 -0.50 -0.15 0.00 0.00 0.00 0.00 19.45 19.04 1y9k n ALA 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y9k s ASP 22 N -5.78 3.35 0.00 0.00 -1.08 -0.26 -5.02 116.67 107.87 1y9k s ASP 22 Ca -0.07 -1.19 0.07 0.00 -0.52 0.00 0.00 52.55 50.83 1y9k s ASP 22 Cb 0.07 -0.32 0.31 0.00 -1.46 0.00 0.00 42.92 41.52 1y9k s ASP 22 CO 0.83 -0.43 1.13 -2.65 0.52 0.00 0.00 175.17 174.57 1y9k n PRO 23 N 5.25 0.05 -3.98 4.34 -0.02 -1.24 -4.10 135.00 135.31 1y9k n PRO 23 Ca -0.06 0.30 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 1y9k n PRO 23 Cb 0.43 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.29 1y9k n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1y9k s SER 24 N -2.76 4.91 0.22 2.55 0.15 -1.26 -4.98 113.70 112.53 1y9k s SER 24 Ca 0.05 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 1y9k s SER 24 Cb 0.04 -1.85 0.22 0.00 -1.71 0.00 0.00 66.02 62.73 1y9k s SER 24 CO 0.11 0.04 1.65 -0.33 1.20 0.00 0.00 173.24 175.91 1y9k h GLU 25 N 7.67 0.75 -0.07 5.44 5.08 -1.99 -2.06 114.58 129.39 1y9k h GLU 25 Ca -0.37 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 57.57 1y9k h GLU 25 Cb 1.18 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1y9k h GLU 25 CO 0.61 0.89 -0.54 0.07 -1.00 0.00 0.00 179.01 179.04 1y9k h ARG 26 N 0.66 0.20 -0.14 2.33 0.11 -1.97 -0.61 114.38 114.96 1y9k h ARG 26 Ca 0.10 -0.12 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 1y9k h ARG 26 Cb 0.70 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 1y9k h ARG 26 CO 0.05 0.69 0.05 1.96 0.10 0.00 0.00 179.97 182.82 1y9k h GLN 27 N 0.15 0.21 -0.41 0.08 1.08 -1.95 -3.10 115.11 111.17 1y9k h GLN 27 Ca 0.00 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.22 1y9k h GLN 27 Cb 1.00 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 28.35 1y9k h GLN 27 CO 0.08 0.33 0.11 0.82 -0.95 0.00 0.00 178.83 179.22 1y9k h ILE 28 N 0.04 0.82 -0.46 2.54 2.04 -1.20 -3.13 117.51 118.16 1y9k h ILE 28 Ca 0.04 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.89 1y9k h ILE 28 Cb 0.21 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1y9k h ILE 28 CO -0.00 0.05 0.08 0.00 0.00 0.00 0.00 178.15 178.28 1y9k h ALA 29 N 1.29 0.50 0.09 1.87 0.00 -1.04 -1.89 119.26 120.09 1y9k h ALA 29 Ca 0.20 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y9k h ALA 29 Cb 0.22 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1y9k h ALA 29 CO -0.23 -0.32 -0.05 1.79 0.00 0.00 0.00 179.25 180.44 1y9k h THR 30 N 0.21 0.90 0.00 0.00 1.35 -1.48 -2.44 112.91 111.45 1y9k h THR 30 Ca 0.23 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.01 1y9k h THR 30 Cb 0.30 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1y9k h THR 30 CO -0.30 0.00 -0.39 0.10 -0.25 0.00 0.00 175.52 174.68 1y9k h TYR 31 N -0.13 0.00 0.00 4.73 -0.00 -1.58 -3.05 116.97 116.94 1y9k h TYR 31 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.63 1y9k h TYR 31 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.82 1y9k h TYR 31 CO -0.08 0.39 -0.41 -0.39 -0.00 0.00 0.00 178.16 177.67 1y9k h VAL 32 N 0.00 0.91 -0.01 -0.90 -1.51 -1.19 -1.11 116.25 112.44 1y9k h VAL 32 Ca -0.00 -1.68 -0.19 0.00 -1.23 0.00 0.00 66.70 63.59 1y9k h VAL 32 Cb 0.88 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 1y9k h VAL 32 CO 0.05 0.41 -0.85 -0.61 -1.23 0.00 0.00 177.57 175.34 1y9k h GLN 33 N 0.00 0.22 0.00 5.19 5.75 -1.38 -3.29 115.11 121.60 1y9k h GLN 33 Ca -0.00 -0.23 -0.03 0.00 -0.15 0.00 0.00 58.65 58.25 1y9k h GLN 33 Cb 1.00 0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1y9k h GLN 33 CO 0.05 0.94 -1.18 0.54 -2.65 0.00 0.00 178.83 176.54 1y9k n ARG 34 N -3.69 0.61 -0.88 1.69 1.74 -1.16 -5.03 116.66 109.95 1y9k n ARG 34 Ca -0.04 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1y9k n ARG 34 Cb 0.79 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1y9k n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y9k n GLY 35 N 1.22 5.74 3.12 -0.13 0.00 -0.43 -4.84 105.19 109.87 1y9k n GLY 35 Ca -0.02 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1y9k n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y9k s LEU 36 N 0.00 2.05 -0.14 0.99 1.43 0.10 -4.89 118.68 118.23 1y9k s LEU 36 Ca 0.00 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1y9k s LEU 36 Cb 0.00 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 1y9k s LEU 36 CO 0.00 0.02 0.03 -0.89 0.23 0.00 0.00 176.35 175.74 1y9k s THR 37 N 1.13 4.54 0.03 5.49 2.01 -1.26 -0.09 115.64 127.49 1y9k s THR 37 Ca 0.00 -0.14 0.07 0.00 0.31 0.00 0.00 61.69 61.93 1y9k s THR 37 Cb -0.14 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1y9k s THR 37 CO -0.08 0.53 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.86 1y9k s TYR 38 N -0.21 1.82 0.20 4.92 1.51 -0.16 -2.27 117.35 123.16 1y9k s TYR 38 Ca 0.06 -0.37 0.10 0.00 -1.01 0.00 0.00 57.07 55.86 1y9k s TYR 38 Cb -0.12 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1y9k s TYR 38 CO 0.02 0.05 -0.17 0.14 -1.11 0.00 0.00 175.55 174.49 1y9k s VAL 39 N -0.70 2.76 -0.14 0.71 -7.23 0.40 -1.52 120.40 114.69 1y9k s VAL 39 Ca 0.08 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1y9k s VAL 39 Cb -0.09 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1y9k s VAL 39 CO 0.01 -0.15 -0.01 0.00 -0.31 0.00 0.00 175.10 174.65 1y9k s ALA 40 N -1.78 3.17 -0.02 1.32 0.00 0.29 -1.02 121.76 123.71 1y9k s ALA 40 Ca 0.24 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1y9k s ALA 40 Cb -0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.41 1y9k s ALA 40 CO 0.13 0.32 -0.21 0.15 0.00 0.00 0.00 175.76 176.15 1y9k s LYS 41 N -0.02 2.24 -0.29 0.00 1.02 0.07 -0.61 119.74 122.15 1y9k s LYS 41 Ca 0.03 -0.85 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 1y9k s LYS 41 Cb -0.13 -2.17 0.14 0.00 -0.52 0.00 0.00 37.83 35.15 1y9k s LYS 41 CO 0.02 0.58 0.89 -1.14 -0.92 0.00 0.00 175.35 174.79 1y9k s GLN 42 N -0.73 0.43 -0.45 1.68 0.74 -0.70 -1.54 119.66 119.09 1y9k s GLN 42 Ca 0.11 0.86 0.00 0.00 0.05 0.00 0.00 55.36 56.38 1y9k s GLN 42 Cb -0.10 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.28 1y9k s GLN 42 CO 0.00 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 1y9k n GLY 43 N 4.34 0.36 0.00 2.59 0.00 -1.26 -3.70 105.19 107.51 1y9k n GLY 43 Ca -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1y9k n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y9k n GLY 44 N -1.45 0.24 3.36 -0.02 0.00 -1.26 -5.07 105.19 100.99 1y9k n GLY 44 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 1y9k n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9k s SER 45 N -2.49 0.04 -0.19 1.61 1.04 -1.24 -5.13 113.70 107.35 1y9k s SER 45 Ca 0.00 -0.97 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 1y9k s SER 45 Cb 0.00 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 1y9k s SER 45 CO 0.00 -0.93 1.22 -0.69 0.98 0.00 0.00 173.24 173.83 1y9k s VAL 46 N -4.01 4.35 0.00 5.02 1.01 -1.26 -1.71 120.40 123.80 1y9k s VAL 46 Ca 0.21 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1y9k s VAL 46 Cb 0.03 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1y9k s VAL 46 CO 0.03 -0.17 0.26 2.30 0.00 0.00 0.00 175.10 177.52 1y9k n ILE 47 N 5.43 0.00 -3.79 2.22 -6.64 0.22 -4.96 119.36 111.84 1y9k n ILE 47 Ca 0.14 -0.39 -0.10 0.00 -1.77 0.00 0.00 62.75 60.63 1y9k n ILE 47 Cb 0.45 1.14 -0.07 0.00 -1.44 0.00 0.00 39.64 39.73 1y9k n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1y9k s GLY 48 N -0.27 -0.04 -0.10 3.28 0.00 -1.02 -0.61 107.32 108.58 1y9k s GLY 48 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 1y9k s GLY 48 CO 0.00 -0.55 0.73 0.54 0.00 0.00 0.00 173.10 173.82 1y9k s VAL 49 N -3.47 0.00 0.03 1.40 0.11 -0.21 -0.55 120.40 117.71 1y9k s VAL 49 Ca 0.02 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.96 1y9k s VAL 49 Cb 0.03 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 1y9k s VAL 49 CO -0.09 0.00 0.23 -0.72 -3.33 0.00 0.00 175.10 171.19 1y9k s TYR 50 N -0.96 -0.01 -0.08 1.54 -0.85 -0.57 -0.95 117.35 115.46 1y9k s TYR 50 Ca -0.08 -0.13 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 1y9k s TYR 50 Cb -0.01 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1y9k s TYR 50 CO 0.07 -0.42 -0.20 0.08 -1.52 0.00 0.00 175.55 173.57 1y9k s VAL 51 N -2.23 1.72 -0.11 -3.49 1.01 -0.45 -0.99 120.40 115.85 1y9k s VAL 51 Ca -0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 1y9k s VAL 51 Cb -0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1y9k s VAL 51 CO -0.02 0.48 0.04 -0.76 0.00 0.00 0.00 175.10 174.85 1y9k s LEU 52 N 0.42 3.78 -0.05 3.92 1.43 0.87 -3.91 118.68 125.15 1y9k s LEU 52 Ca -0.16 0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1y9k s LEU 52 Cb -0.17 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1y9k s LEU 52 CO 0.07 0.34 -0.14 -0.22 0.23 0.00 0.00 176.35 176.63 1y9k s LEU 53 N -0.63 1.79 -0.21 1.79 2.96 -0.07 0.01 118.68 124.32 1y9k s LEU 53 Ca 0.11 -0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.43 1y9k s LEU 53 Cb -0.12 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1y9k s LEU 53 CO 0.02 0.09 1.01 -0.70 -1.32 0.00 0.00 176.35 175.45 1y9k s GLU 54 N 0.31 4.27 0.00 1.98 2.12 -1.26 0.23 118.70 126.35 1y9k s GLU 54 Ca -0.08 1.31 0.00 0.00 0.36 0.00 0.00 54.97 56.56 1y9k s GLU 54 Cb -0.13 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.64 1y9k s GLU 54 CO 0.03 -0.57 0.00 0.25 -0.54 0.00 0.00 175.26 174.43 1y9k n THR 55 N 5.20 0.00 -1.06 -1.70 -2.24 0.01 -4.97 114.28 109.51 1y9k n THR 55 Ca 0.11 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 1y9k n THR 55 Cb 0.47 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.85 1y9k n THR 55 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1y9k s ARG 56 N 1.26 0.87 0.18 -0.78 0.52 -1.26 -4.90 118.95 114.84 1y9k s ARG 56 Ca 0.00 0.87 -0.33 0.00 -0.52 0.00 0.00 55.73 55.75 1y9k s ARG 56 Cb 0.00 -1.76 -0.15 0.00 0.52 0.00 0.00 34.95 33.56 1y9k s ARG 56 CO 0.00 -2.52 1.32 -2.30 0.02 0.00 0.00 175.30 171.81 1y9k n PRO 57 N -4.08 1.54 -1.55 3.54 -0.02 -1.26 -1.60 135.00 131.56 1y9k n PRO 57 Ca 0.07 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.91 1y9k n PRO 57 Cb 0.55 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.79 1y9k n PRO 57 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1y9k n LYS 58 N 2.17 -1.48 -3.48 -0.52 4.76 -1.26 -4.92 118.16 113.43 1y9k n LYS 58 Ca 0.15 1.16 -0.19 0.00 -2.87 0.00 0.00 58.31 56.56 1y9k n LYS 58 Cb 0.26 -5.54 -0.03 0.00 -1.84 0.00 0.00 35.03 27.87 1y9k n LYS 58 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1y9k n THR 59 N -2.33 0.00 -3.64 -0.18 -1.04 -0.63 -0.55 114.28 105.92 1y9k n THR 59 Ca -0.19 -1.43 -0.10 0.00 -2.04 0.00 0.00 64.05 60.29 1y9k n THR 59 Cb 0.66 0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 69.29 1y9k n THR 59 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1y9k s GLU 61 N -3.16 0.64 0.70 -2.82 2.12 0.14 -0.81 118.70 115.51 1y9k s GLU 61 Ca 0.04 0.82 -0.11 0.00 0.36 0.00 0.00 54.97 56.08 1y9k s GLU 61 Cb -0.00 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.68 1y9k s GLU 61 CO 0.02 -0.09 1.07 0.42 -0.54 0.00 0.00 175.26 176.15 1y9k s ILE 62 N 0.55 3.81 0.19 -3.70 1.01 0.92 -0.89 121.20 123.09 1y9k s ILE 62 Ca -0.01 0.59 -0.32 0.00 0.00 0.00 0.00 60.65 60.92 1y9k s ILE 62 Cb -0.05 -3.48 -0.16 0.00 0.01 0.00 0.00 42.46 38.79 1y9k s ILE 62 CO -0.06 -0.77 1.02 -3.20 0.00 0.00 0.00 174.94 171.93 1y9k n ASN 64 N -3.06 0.80 -3.72 3.58 2.85 -1.25 -4.35 115.26 110.10 1y9k n ASN 64 Ca 0.07 1.15 -0.13 0.00 -0.11 0.00 0.00 54.58 55.56 1y9k n ASN 64 Cb 0.55 -1.16 -0.13 0.00 1.24 0.00 0.00 39.78 40.28 1y9k n ASN 64 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 1y9k s ILE 65 N -0.48 -0.12 -0.08 -1.44 2.07 -1.26 -1.34 121.20 118.55 1y9k s ILE 65 Ca 0.70 0.18 -0.09 0.00 -1.41 0.00 0.00 60.65 60.03 1y9k s ILE 65 Cb -0.87 -0.37 0.02 0.00 0.13 0.00 0.00 42.46 41.37 1y9k s ILE 65 CO 0.55 0.08 0.25 0.00 -1.91 0.00 0.00 174.94 173.90 1y9k s ALA 66 N 1.50 -0.62 -0.01 1.50 0.00 -0.12 -4.78 121.76 119.22 1y9k s ALA 66 Ca -0.07 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1y9k s ALA 66 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1y9k s ALA 66 CO -0.08 -0.14 -0.18 0.08 0.00 0.00 0.00 175.76 175.44 1y9k s VAL 67 N -0.09 1.43 0.16 0.00 1.01 -1.26 -1.04 120.40 120.60 1y9k s VAL 67 Ca -0.02 -0.78 -0.34 0.00 0.00 0.00 0.00 61.98 60.84 1y9k s VAL 67 Cb -0.02 -1.19 -0.15 0.00 0.00 0.00 0.00 36.38 35.02 1y9k s VAL 67 CO 0.01 0.40 1.43 0.00 0.00 0.00 0.00 175.10 176.94 1y9k n ALA 68 N 2.63 0.48 -0.35 5.51 0.00 0.22 -4.82 120.51 124.18 1y9k n ALA 68 Ca -0.15 0.46 0.15 0.00 0.00 0.00 0.00 53.44 53.90 1y9k n ALA 68 Cb 0.54 -2.23 0.35 0.00 0.00 0.00 0.00 19.45 18.11 1y9k n ALA 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y9k h GLU 69 N 4.93 0.67 -0.00 0.00 3.07 -1.99 0.12 114.58 121.39 1y9k h GLU 69 Ca -0.45 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 1y9k h GLU 69 Cb 1.29 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1y9k h GLU 69 CO 0.81 0.45 -0.02 -2.39 -1.40 0.00 0.00 179.01 176.45 1y9k n HIS 70 N -4.77 0.00 0.29 4.33 1.44 -1.26 -3.46 115.22 111.79 1y9k n HIS 70 Ca 0.24 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.01 1y9k n HIS 70 Cb 0.63 -0.44 0.08 0.00 0.12 0.00 0.00 29.99 30.38 1y9k n HIS 70 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1y9k n LEU 71 N -1.44 2.21 -4.77 2.39 4.77 0.39 -5.04 117.00 115.51 1y9k n LEU 71 Ca 0.09 -1.27 -0.34 0.00 -0.03 0.00 0.00 56.01 54.46 1y9k n LEU 71 Cb 0.32 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1y9k n LEU 71 CO 0.26 0.47 0.76 -1.10 -1.33 0.00 0.00 177.39 176.45 1y9k s GLN 72 N -0.95 2.95 -1.40 3.23 -0.21 -0.94 -3.49 119.66 118.85 1y9k s GLN 72 Ca 0.16 1.48 -0.08 0.00 0.02 0.00 0.00 55.36 56.95 1y9k s GLN 72 Cb 0.10 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 32.16 1y9k s GLN 72 CO 0.15 -1.14 1.00 0.41 -2.12 0.00 0.00 175.29 173.58 1y9k n GLY 73 N -0.25 -0.52 0.49 3.09 0.00 -1.26 -4.90 105.19 101.84 1y9k n GLY 73 Ca 0.11 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.38 1y9k n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y9k n LYS 74 N -4.65 0.60 -0.59 1.61 5.02 -1.23 -5.00 118.16 113.92 1y9k n LYS 74 Ca -0.03 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1y9k n LYS 74 Cb 0.58 -0.90 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1y9k n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y9k n GLY 75 N -0.55 0.79 0.19 0.72 0.00 -1.26 -4.93 105.19 100.15 1y9k n GLY 75 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1y9k n GLY 75 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1y9k h ILE 76 N 0.00 1.33 -0.29 -0.61 2.04 -1.95 -2.22 117.51 115.82 1y9k h ILE 76 Ca 0.00 -1.83 0.07 0.00 1.00 0.00 0.00 64.86 64.10 1y9k h ILE 76 Cb 0.00 2.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.05 1y9k h ILE 76 CO 0.00 0.57 -0.18 1.23 0.00 0.00 0.00 178.15 179.77 1y9k h GLY 77 N 0.31 0.02 0.58 5.37 0.00 -1.92 -0.74 103.07 106.69 1y9k h GLY 77 Ca -0.03 0.22 0.10 0.00 0.00 0.00 0.00 47.33 47.62 1y9k h GLY 77 CO 0.12 -0.18 0.63 1.70 0.00 0.00 0.00 176.54 178.81 1y9k h LYS 78 N -0.15 1.00 -0.39 4.80 3.64 -1.97 -2.26 116.57 121.25 1y9k h LYS 78 Ca 0.15 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1y9k h LYS 78 Cb 0.38 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1y9k h LYS 78 CO -0.38 0.66 -0.07 0.87 -2.27 0.00 0.00 179.45 178.27 1y9k h LYS 79 N 1.03 0.73 -0.70 1.90 1.57 -0.59 -2.14 116.57 118.36 1y9k h LYS 79 Ca 0.47 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1y9k h LYS 79 Cb 0.39 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1y9k h LYS 79 CO -0.23 0.86 0.25 -0.07 -0.57 0.00 0.00 179.45 179.70 1y9k h LEU 80 N 0.54 0.98 -0.08 2.94 3.38 -0.96 -2.28 115.31 119.83 1y9k h LEU 80 Ca 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1y9k h LEU 80 Cb 0.58 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1y9k h LEU 80 CO 0.03 0.89 -0.03 0.25 0.09 0.00 0.00 178.44 179.68 1y9k h LEU 81 N 1.03 0.16 -1.29 1.67 5.85 -1.33 0.99 115.31 122.38 1y9k h LEU 81 Ca 0.23 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1y9k h LEU 81 Cb 0.24 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1y9k h LEU 81 CO -0.01 0.51 0.48 0.03 -0.34 0.00 0.00 178.44 179.11 1y9k h ARG 82 N -0.20 0.94 -0.31 1.25 3.08 -1.37 -1.61 114.38 116.17 1y9k h ARG 82 Ca 0.02 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1y9k h ARG 82 Cb 0.44 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1y9k h ARG 82 CO 0.01 0.62 0.03 1.25 -1.07 0.00 0.00 179.97 180.81 1y9k h HIS 83 N 0.97 0.57 -0.28 3.04 2.76 -1.13 -2.58 115.15 118.51 1y9k h HIS 83 Ca 0.27 -0.09 0.06 0.00 -2.20 0.00 0.00 60.37 58.41 1y9k h HIS 83 Cb -0.09 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 28.66 1y9k h HIS 83 CO -0.00 0.64 -0.15 0.00 -1.30 0.00 0.00 177.93 177.12 1y9k h ALA 84 N 0.86 0.07 -0.85 5.26 0.00 -0.17 0.15 119.26 124.59 1y9k h ALA 84 Ca 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1y9k h ALA 84 Cb 0.39 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1y9k h ALA 84 CO 0.01 -0.55 0.50 -0.39 0.00 0.00 0.00 179.25 178.82 1y9k h VAL 85 N -0.11 1.24 -0.35 0.00 -1.51 -1.28 -0.77 116.25 113.47 1y9k h VAL 85 Ca 0.15 -0.54 -0.07 0.00 -1.23 0.00 0.00 66.70 65.01 1y9k h VAL 85 Cb 0.33 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 1y9k h VAL 85 CO -0.35 0.25 -0.04 -0.33 -1.23 0.00 0.00 177.57 175.88 1y9k h GLU 86 N 1.17 0.64 -0.72 5.19 4.39 -1.03 -0.73 114.58 123.49 1y9k h GLU 86 Ca 0.30 -0.23 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1y9k h GLU 86 Cb -0.03 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 1y9k h GLU 86 CO -0.06 0.78 0.47 1.15 -1.16 0.00 0.00 179.01 180.19 1y9k h THR 87 N 0.44 1.14 -0.12 1.13 2.02 -0.38 -1.05 112.91 116.09 1y9k h THR 87 Ca 0.09 -0.32 -0.15 0.00 0.77 0.00 0.00 66.41 66.80 1y9k h THR 87 Cb 0.52 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1y9k h THR 87 CO 0.03 0.17 -0.58 0.00 0.37 0.00 0.00 175.52 175.50 1y9k h ALA 88 N 1.29 0.77 -0.20 6.16 0.00 -1.00 -2.02 119.26 124.26 1y9k h ALA 88 Ca 0.28 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1y9k h ALA 88 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1y9k h ALA 88 CO -0.09 0.71 0.11 0.87 0.00 0.00 0.00 179.25 180.85 1y9k h LYS 89 N 0.30 0.27 -0.88 0.00 1.57 -0.96 -2.95 116.57 113.91 1y9k h LYS 89 Ca -0.00 -0.03 0.22 0.00 -1.87 0.00 0.00 60.65 58.97 1y9k h LYS 89 Cb 1.10 -0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.23 1y9k h LYS 89 CO 0.10 0.25 0.32 0.78 -0.57 0.00 0.00 179.45 180.32 1y9k h GLY 90 N 0.22 1.44 1.13 3.86 0.00 -0.84 0.23 103.07 109.10 1y9k h GLY 90 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1y9k h GLY 90 CO -0.01 -0.31 0.00 -1.72 0.00 0.00 0.00 176.54 174.50 1y9k n TYR 91 N -5.13 0.00 -1.52 5.60 4.02 -0.79 -5.10 117.16 114.24 1y9k n TYR 91 Ca 0.21 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1y9k n TYR 91 Cb 0.66 -0.07 -0.00 0.00 -0.02 0.00 0.00 39.34 39.91 1y9k n TYR 91 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y9k n GLY 92 N 0.71 -2.90 0.00 2.72 0.00 0.81 -5.10 105.19 101.43 1y9k n GLY 92 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1y9k n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y9k n SER 94 N 0.02 0.00 -4.09 1.61 3.41 0.29 -4.96 113.62 109.89 1y9k n SER 94 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1y9k n SER 94 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 1y9k n SER 94 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1y9k s LYS 95 N 0.00 1.40 -0.11 4.33 2.20 -0.86 -0.25 119.74 126.45 1y9k s LYS 95 Ca 0.00 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.14 1y9k s LYS 95 Cb 0.00 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 1y9k s LYS 95 CO 0.00 0.22 -0.23 -1.17 -0.36 0.00 0.00 175.35 173.82 1y9k s LEU 96 N -0.00 2.07 0.17 5.43 2.96 -1.26 -4.31 118.68 123.73 1y9k s LEU 96 Ca -0.01 -0.56 0.11 0.00 -0.22 0.00 0.00 54.13 53.45 1y9k s LEU 96 Cb -0.09 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1y9k s LEU 96 CO 0.01 0.13 -0.24 -1.61 -1.32 0.00 0.00 176.35 173.31 1y9k s GLU 97 N 0.52 1.51 -0.13 1.98 2.02 -1.26 -4.30 118.70 119.04 1y9k s GLU 97 Ca -0.15 -1.44 -0.12 0.00 0.02 0.00 0.00 54.97 53.29 1y9k s GLU 97 Cb -0.17 -1.89 0.04 0.00 0.10 0.00 0.00 34.13 32.21 1y9k s GLU 97 CO 0.05 0.42 0.35 0.54 0.02 0.00 0.00 175.26 176.65 1y9k s VAL 98 N -1.43 -0.00 0.09 2.63 0.11 -0.56 -0.05 120.40 121.18 1y9k s VAL 98 Ca 0.18 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.31 1y9k s VAL 98 Cb -0.09 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1y9k s VAL 98 CO 0.09 0.01 -0.10 -0.83 -3.33 0.00 0.00 175.10 170.93 1y9k s GLY 99 N 0.34 1.78 0.09 6.54 0.00 -1.26 -0.49 107.32 114.32 1y9k s GLY 99 Ca -0.01 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 1y9k s GLY 99 CO -0.01 -1.17 0.16 -1.08 0.00 0.00 0.00 173.10 171.00 1y9k s THR 100 N -1.17 0.15 0.70 0.90 -1.32 -0.37 -4.97 115.64 109.56 1y9k s THR 100 Ca 0.20 -1.31 -0.13 0.00 -1.21 0.00 0.00 61.69 59.24 1y9k s THR 100 Cb -0.11 -1.42 0.02 0.00 -1.51 0.00 0.00 72.50 69.48 1y9k s THR 100 CO 0.12 -0.68 1.10 -0.83 -2.21 0.00 0.00 174.62 172.13 1y9k s GLY 101 N -2.88 1.96 0.53 6.08 0.00 -1.26 0.51 107.32 112.25 1y9k s GLY 101 Ca 0.07 0.42 0.19 0.00 0.00 0.00 0.00 44.72 45.40 1y9k s GLY 101 CO -0.10 0.77 2.16 3.45 0.00 0.00 0.00 173.10 179.38 1y9k h ASN 102 N -0.42 0.00 1.69 1.64 -1.07 -1.72 -1.24 115.58 114.46 1y9k h ASN 102 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1y9k h ASN 102 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1y9k h ASN 102 CO 0.53 0.00 0.00 0.77 0.07 0.00 0.00 177.43 178.80 1y9k h SER 103 N 0.00 0.00 -0.24 6.14 4.64 -1.88 -3.40 113.55 118.81 1y9k h SER 103 Ca 0.02 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.64 1y9k h SER 103 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1y9k h SER 103 CO -0.00 0.00 3.37 -1.20 -0.87 0.00 0.00 176.83 178.13 1y9k n SER 104 N -2.64 7.15 -0.08 4.97 7.64 -0.47 -4.70 113.62 125.48 1y9k n SER 104 Ca 0.05 -2.75 -0.09 0.00 1.01 0.00 0.00 58.87 57.09 1y9k n SER 104 Cb 0.47 -1.55 0.07 0.00 -1.01 0.00 0.00 64.21 62.18 1y9k n SER 104 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1y9k h VAL 105 N 3.26 1.28 0.00 0.44 2.07 -1.82 -0.63 116.25 120.85 1y9k h VAL 105 Ca 0.74 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1y9k h VAL 105 Cb 0.40 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1y9k h VAL 105 CO 1.77 0.47 -0.42 0.77 0.02 0.00 0.00 177.57 180.18 1y9k h SER 106 N 0.66 0.00 -0.17 0.57 4.64 -1.98 -1.12 113.55 116.15 1y9k h SER 106 Ca 0.08 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.22 1y9k h SER 106 Cb 0.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1y9k h SER 106 CO 0.07 0.42 -0.56 1.56 -0.87 0.00 0.00 176.83 177.44 1y9k h GLN 107 N 0.00 0.77 -0.71 4.77 4.20 -1.85 -1.65 115.11 120.65 1y9k h GLN 107 Ca -0.00 -0.50 0.09 0.00 0.06 0.00 0.00 58.65 58.30 1y9k h GLN 107 Cb 0.88 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.65 1y9k h GLN 107 CO 0.05 1.12 0.35 -0.07 -0.67 0.00 0.00 178.83 179.62 1y9k h LEU 108 N 0.59 0.47 -0.17 1.46 3.38 -0.61 0.78 115.31 121.21 1y9k h LEU 108 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1y9k h LEU 108 Cb 1.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1y9k h LEU 108 CO 0.12 0.27 0.05 0.00 0.09 0.00 0.00 178.44 178.97 1y9k h ALA 109 N 1.42 0.22 0.37 1.53 0.00 -1.20 -2.97 119.26 118.63 1y9k h ALA 109 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1y9k h ALA 109 Cb 0.35 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1y9k h ALA 109 CO -0.26 -0.16 -0.21 1.25 0.00 0.00 0.00 179.25 179.87 1y9k h LEU 110 N 0.09 -0.51 -0.70 0.00 5.85 -0.77 -0.30 115.31 118.96 1y9k h LEU 110 Ca 0.05 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1y9k h LEU 110 Cb 0.23 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 1y9k h LEU 110 CO -0.00 -0.34 0.36 1.88 -0.34 0.00 0.00 178.44 180.00 1y9k h TYR 111 N -0.55 0.65 -0.36 1.25 0.05 -0.97 -1.04 116.97 116.00 1y9k h TYR 111 Ca -0.04 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.64 1y9k h TYR 111 Cb 0.44 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1y9k h TYR 111 CO -0.08 0.26 -0.28 1.96 -1.05 0.00 0.00 178.16 178.97 1y9k h GLN 112 N 0.63 0.77 -0.51 4.88 4.20 -1.36 -1.00 115.11 122.71 1y9k h GLN 112 Ca 0.34 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1y9k h GLN 112 Cb 0.32 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1y9k h GLN 112 CO -0.24 0.96 0.34 0.87 -0.67 0.00 0.00 178.83 180.08 1y9k h LYS 113 N 0.66 0.62 -0.14 1.46 1.57 -0.35 -2.65 116.57 117.74 1y9k h LYS 113 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1y9k h LYS 113 Cb 0.81 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1y9k h LYS 113 CO 0.07 0.41 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 1y9k n GLY 115 N 0.91 0.48 3.75 0.00 0.00 -1.00 -5.05 105.19 104.28 1y9k n GLY 115 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1y9k n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y9k s PHE 116 N -2.00 3.62 -0.12 1.61 0.40 -0.44 -4.84 117.98 116.20 1y9k s PHE 116 Ca 0.00 1.70 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 1y9k s PHE 116 Cb 0.00 -3.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.26 1y9k s PHE 116 CO 0.00 -0.48 -0.15 0.50 0.70 0.00 0.00 175.22 175.80 1y9k s ARG 117 N -1.20 3.33 0.04 0.44 3.52 -0.10 -3.93 118.95 121.05 1y9k s ARG 117 Ca 0.45 -0.71 -0.31 0.00 -0.13 0.00 0.00 55.73 55.04 1y9k s ARG 117 Cb -0.31 -2.58 -0.07 0.00 -1.56 0.00 0.00 34.95 30.43 1y9k s ARG 117 CO 0.39 0.22 1.46 0.42 -0.81 0.00 0.00 175.30 176.98 1y9k s ILE 118 N 0.33 3.44 0.00 4.11 1.01 -1.26 -1.55 121.20 127.27 1y9k s ILE 118 Ca -0.12 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1y9k s ILE 118 Cb -0.16 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1y9k s ILE 118 CO 0.06 0.02 0.00 2.22 0.00 0.00 0.00 174.94 177.24 1y9k n PHE 119 N 5.08 0.00 -3.56 3.97 1.16 -0.66 -4.99 117.46 118.47 1y9k n PHE 119 Ca 0.13 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.60 1y9k n PHE 119 Cb 0.42 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.25 1y9k n PHE 119 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1y9k s SER 120 N -1.17 -0.38 -0.11 5.98 0.15 -1.16 -5.02 113.70 111.98 1y9k s SER 120 Ca 0.00 -0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.58 1y9k s SER 120 Cb 0.00 0.51 0.01 0.00 -1.71 0.00 0.00 66.02 64.84 1y9k s SER 120 CO 0.00 -0.85 -0.16 -0.63 1.20 0.00 0.00 173.24 172.80 1y9k s ILE 121 N -3.42 1.58 -0.59 6.45 1.01 -1.26 0.31 121.20 125.28 1y9k s ILE 121 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 1y9k s ILE 121 Cb 0.00 -1.43 0.11 0.00 0.01 0.00 0.00 42.46 41.15 1y9k s ILE 121 CO -0.09 0.46 0.69 -0.62 0.00 0.00 0.00 174.94 175.37 1y9k s ASP 122 N 0.91 6.19 0.29 3.58 -1.08 -1.26 -5.00 116.67 120.30 1y9k s ASP 122 Ca -0.08 -1.48 -0.29 0.00 -0.52 0.00 0.00 52.55 50.18 1y9k s ASP 122 Cb -0.15 -2.30 -0.10 0.00 -1.46 0.00 0.00 42.92 38.91 1y9k s ASP 122 CO -0.01 -1.09 1.26 -0.36 0.52 0.00 0.00 175.17 175.49 1y9k s PHE 123 N 2.59 3.22 -2.03 -5.34 0.40 -1.26 -3.35 117.98 112.20 1y9k s PHE 123 Ca 0.11 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.88 1y9k s PHE 123 Cb -0.24 -3.57 0.00 0.00 0.51 0.00 0.00 43.02 39.71 1y9k s PHE 123 CO 0.06 -1.56 0.00 -0.25 0.70 0.00 0.00 175.22 174.17 1y9k n ASP 124 N 1.27 -5.64 -0.15 1.36 8.00 -1.17 -4.90 116.55 115.31 1y9k n ASP 124 Ca 0.01 0.30 -0.04 0.00 0.71 0.00 0.00 54.79 55.77 1y9k n ASP 124 Cb 0.43 -4.86 0.05 0.00 -0.02 0.00 0.00 41.12 36.72 1y9k n ASP 124 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1y9k h TYR 125 N 0.00 0.38 0.01 1.24 3.20 -1.43 -2.74 116.97 117.63 1y9k h TYR 125 Ca -0.45 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.22 1y9k h TYR 125 Cb 1.36 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.53 1y9k h TYR 125 CO 0.58 0.17 -0.94 0.74 -1.64 0.00 0.00 178.16 177.06 1y9k h PHE 126 N 0.42 0.53 -0.90 -3.82 -1.00 -1.76 -1.81 116.94 108.60 1y9k h PHE 126 Ca 0.22 -0.29 0.03 0.00 2.81 0.00 0.00 57.97 60.74 1y9k h PHE 126 Cb 0.17 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.62 1y9k h PHE 126 CO -0.13 1.12 0.58 0.77 -1.61 0.00 0.00 178.31 179.04 1y9k h SER 127 N 0.19 0.97 0.50 2.17 0.02 -1.70 -0.82 113.55 114.88 1y9k h SER 127 Ca -0.07 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1y9k h SER 127 Cb 1.58 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1y9k h SER 127 CO 0.16 0.67 -0.67 2.29 -1.14 0.00 0.00 176.83 178.14 1y9k n LYS 128 N -4.52 0.11 -0.05 3.45 2.85 -1.04 -4.03 118.16 114.92 1y9k n LYS 128 Ca 0.11 0.01 -0.06 0.00 -1.05 0.00 0.00 58.31 57.33 1y9k n LYS 128 Cb 0.09 -1.55 -0.15 0.00 -0.65 0.00 0.00 35.03 32.77 1y9k n LYS 128 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1y9k n HIS 129 N -1.69 0.38 -4.93 5.58 8.25 -0.69 -4.97 115.22 117.15 1y9k n HIS 129 Ca 0.04 0.13 -0.27 0.00 -0.26 0.00 0.00 57.72 57.37 1y9k n HIS 129 Cb 0.37 -1.01 -0.15 0.00 1.12 0.00 0.00 29.99 30.32 1y9k n HIS 129 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1y9k s TYR 130 N -2.68 1.91 -0.03 4.41 1.51 -0.33 -5.04 117.35 117.11 1y9k s TYR 130 Ca -0.07 -0.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.36 1y9k s TYR 130 Cb 0.08 -1.20 -0.21 0.00 -0.11 0.00 0.00 41.96 40.52 1y9k s TYR 130 CO 0.83 0.01 1.21 0.93 -1.11 0.00 0.00 175.55 177.42 1y9k h GLU 131 N 5.37 0.04 -6.43 -0.62 5.08 -1.84 -3.42 114.58 112.76 1y9k h GLU 131 Ca -0.41 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.39 1y9k h GLU 131 Cb 1.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1y9k h GLU 131 CO 0.46 0.59 0.34 -1.21 -1.00 0.00 0.00 179.01 178.20 1y9k s GLU 132 N -3.98 4.59 0.41 2.33 8.01 -1.26 -5.03 118.70 123.77 1y9k s GLU 132 Ca -0.16 1.38 -0.26 0.00 0.01 0.00 0.00 54.97 55.94 1y9k s GLU 132 Cb 0.01 -3.43 -0.09 0.00 -4.31 0.00 0.00 34.13 26.31 1y9k s GLU 132 CO 0.69 0.04 1.36 -2.00 0.01 0.00 0.00 175.26 175.35 1y9k s GLU 133 N 0.69 3.93 -0.19 1.61 2.12 -1.26 -5.01 118.70 120.59 1y9k s GLU 133 Ca 0.49 2.28 -0.04 0.00 0.36 0.00 0.00 54.97 58.07 1y9k s GLU 133 Cb -0.21 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1y9k s GLU 133 CO 0.28 -0.57 -0.03 0.42 -0.54 0.00 0.00 175.26 174.82 1y9k s ILE 134 N -1.22 3.67 0.01 -3.70 1.01 -1.26 -5.07 121.20 114.64 1y9k s ILE 134 Ca 0.57 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.88 1y9k s ILE 134 Cb -0.41 -2.65 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1y9k s ILE 134 CO 0.53 0.44 -0.22 -0.63 0.00 0.00 0.00 174.94 175.06 1y9k s ILE 135 N 1.02 2.45 -0.27 2.92 1.01 -1.26 -0.29 121.20 126.78 1y9k s ILE 135 Ca 0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 1y9k s ILE 135 Cb -0.15 -1.95 0.16 0.00 0.01 0.00 0.00 42.46 40.53 1y9k s ILE 135 CO 0.01 0.45 0.50 -0.70 0.00 0.00 0.00 174.94 175.20 1y9k s GLU 136 N -1.04 0.46 -1.10 2.79 2.12 0.18 -4.87 118.70 117.24 1y9k s GLU 136 Ca 0.12 0.80 -0.01 0.00 0.36 0.00 0.00 54.97 56.24 1y9k s GLU 136 Cb -0.10 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.38 1y9k s GLU 136 CO 0.02 -0.61 0.15 0.09 -0.54 0.00 0.00 175.26 174.37 1y9k n ASN 137 N 5.40 -4.31 0.00 -1.70 3.02 -1.26 -2.41 115.26 114.00 1y9k n ASN 137 Ca -0.03 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 1y9k n ASN 137 Cb 0.51 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1y9k n ASN 137 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y9k n GLY 138 N -1.11 0.64 3.56 7.41 0.00 -1.26 -5.02 105.19 109.43 1y9k n GLY 138 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1y9k n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y9k s ILE 139 N -2.78 4.20 -0.01 -0.61 1.01 -1.01 -5.09 121.20 116.91 1y9k s ILE 139 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1y9k s ILE 139 Cb 0.00 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1y9k s ILE 139 CO 0.00 0.50 1.34 -0.69 0.00 0.00 0.00 174.94 176.09 1y9k s VAL 140 N 0.15 3.85 -0.80 2.92 1.01 -1.26 -0.65 120.40 125.62 1y9k s VAL 140 Ca 0.01 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 1y9k s VAL 140 Cb -0.13 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1y9k s VAL 140 CO 0.02 0.01 1.38 0.00 0.00 0.00 0.00 175.10 176.51 1y9k n ARG 142 N 9.24 0.31 0.00 0.00 0.63 -1.26 -4.52 116.66 121.06 1y9k n ARG 142 Ca 0.12 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 1y9k n ARG 142 Cb 0.50 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.19 1y9k n ARG 142 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1y9k n ASP 143 N -2.96 0.00 -3.65 6.15 8.00 -1.26 -2.13 116.55 120.70 1y9k n ASP 143 Ca -0.23 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.23 1y9k n ASP 143 Cb 0.73 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.77 1y9k n ASP 143 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y9k s ILE 145 N 4.02 -0.66 -0.15 0.53 -1.09 0.18 -1.93 121.20 122.11 1y9k s ILE 145 Ca 0.00 0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.39 1y9k s ILE 145 Cb 0.00 -0.90 -0.04 0.00 -1.58 0.00 0.00 42.46 39.94 1y9k s ILE 145 CO 0.00 0.02 0.12 -0.13 -1.23 0.00 0.00 174.94 173.72 1y9k s ARG 146 N 2.48 3.69 0.11 2.79 1.81 0.15 -1.24 118.95 128.74 1y9k s ARG 146 Ca -0.06 -0.20 0.05 0.00 -1.72 0.00 0.00 55.73 53.81 1y9k s ARG 146 Cb -0.10 -3.23 -0.04 0.00 -0.45 0.00 0.00 34.95 31.12 1y9k s ARG 146 CO -0.17 0.58 -0.13 -0.51 -0.68 0.00 0.00 175.30 174.39 1y9k s LEU 147 N -0.47 2.40 0.00 2.53 1.02 0.36 -1.66 118.68 122.86 1y9k s LEU 147 Ca 0.12 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.46 1y9k s LEU 147 Cb -0.12 -0.47 0.00 0.00 0.02 0.00 0.00 46.19 45.62 1y9k s LEU 147 CO 0.02 -0.18 0.00 0.00 0.02 0.00 0.00 176.35 176.21 1y9k n ALA 148 N 0.56 0.00 -3.04 4.21 0.00 -0.60 -1.50 120.51 120.14 1y9k n ALA 148 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.02 1y9k n ALA 148 Cb 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.86 1y9k n ALA 148 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1y9k s GLU 150 N -1.36 1.87 0.00 0.00 2.56 -1.26 -0.92 118.70 119.59 1y9k s GLU 150 Ca 0.00 -0.59 0.26 0.00 0.00 0.00 0.00 54.97 54.63 1y9k s GLU 150 Cb 0.00 -1.58 0.55 0.00 2.00 0.00 0.00 34.13 35.10 1y9k s GLU 150 CO 0.00 0.20 1.46 1.28 -0.56 0.00 0.00 175.26 177.64