#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9k s ARG 2 N 0.00 3.47 -0.13 2.12 0.52 -1.26 -1.72 118.95 121.95 1j9k s ARG 2 Ca 0.00 0.09 -0.03 0.00 -0.52 0.00 0.00 55.73 55.27 1j9k s ARG 2 Cb 0.00 -4.01 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 1j9k s ARG 2 CO 0.00 -1.53 -0.01 0.42 0.02 0.00 0.00 175.30 174.20 1j9k s ILE 3 N 4.42 4.17 -0.18 1.52 1.01 0.07 -1.10 121.20 131.11 1j9k s ILE 3 Ca 0.38 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1j9k s ILE 3 Cb -0.09 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1j9k s ILE 3 CO 0.24 0.53 0.05 -0.22 0.00 0.00 0.00 174.94 175.55 1j9k s LEU 4 N -0.16 3.77 -0.08 2.97 2.96 0.59 -1.11 118.68 127.62 1j9k s LEU 4 Ca 0.04 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 1j9k s LEU 4 Cb -0.13 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 1j9k s LEU 4 CO 0.02 0.18 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.32 1j9k s VAL 5 N 0.34 1.90 0.21 1.68 1.01 0.89 -1.02 120.40 125.40 1j9k s VAL 5 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1j9k s VAL 5 Cb -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1j9k s VAL 5 CO 0.00 0.53 0.23 1.07 0.00 0.00 0.00 175.10 176.93 1j9k n THR 6 N 3.38 0.00 -3.59 3.92 5.66 -0.80 -1.52 114.28 121.34 1j9k n THR 6 Ca -0.19 -1.31 -0.00 0.00 -3.05 0.00 0.00 64.05 59.50 1j9k n THR 6 Cb 0.53 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 1j9k n THR 6 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1j9k n ASN 7 N -2.03 -0.20 0.00 1.09 2.04 -1.26 -0.42 115.26 114.48 1j9k n ASN 7 Ca 0.03 -1.09 0.00 0.00 -0.44 0.00 0.00 54.58 53.08 1j9k n ASN 7 Cb 0.37 0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.94 1j9k n ASN 7 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1j9k n ASP 8 N -0.56 1.13 -0.36 0.53 3.85 -1.26 -4.50 116.55 115.38 1j9k n ASP 8 Ca -0.00 -1.32 0.11 0.00 -0.71 0.00 0.00 54.79 52.86 1j9k n ASP 8 Cb 0.07 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1j9k n ASP 8 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1j9k n ASP 9 N -0.16 1.71 0.00 -1.12 9.92 -1.26 -0.21 116.55 125.42 1j9k n ASP 9 Ca 0.00 -1.33 0.00 0.00 -0.53 0.00 0.00 54.79 52.93 1j9k n ASP 9 Cb 0.15 0.56 0.00 0.00 -0.64 0.00 0.00 41.12 41.19 1j9k n ASP 9 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j9k n GLY 10 N 1.43 2.59 0.10 0.44 0.00 -1.26 -4.50 105.19 104.00 1j9k n GLY 10 Ca 0.08 -1.67 0.06 0.00 0.00 0.00 0.00 46.02 44.49 1j9k n GLY 10 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j9k n ILE 11 N 1.13 1.39 1.21 -0.61 3.06 -0.12 -1.12 119.36 124.30 1j9k n ILE 11 Ca 0.00 0.64 0.13 0.00 -2.50 0.00 0.00 62.75 61.02 1j9k n ILE 11 Cb 0.00 -1.64 0.29 0.00 0.54 0.00 0.00 39.64 38.83 1j9k n ILE 11 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1j9k n GLN 12 N -1.93 1.26 -1.91 9.51 6.02 -1.26 -4.76 117.38 124.31 1j9k n GLN 12 Ca -0.01 -0.86 -0.41 0.00 -0.01 0.00 0.00 57.00 55.71 1j9k n GLN 12 Cb 0.04 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1j9k n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1j9k s SER 13 N -2.34 6.49 0.35 1.08 0.15 -0.28 -4.89 113.70 114.26 1j9k s SER 13 Ca 0.26 2.91 0.05 0.00 0.70 0.00 0.00 55.95 59.87 1j9k s SER 13 Cb 0.19 -2.66 0.64 0.00 -1.71 0.00 0.00 66.02 62.48 1j9k s SER 13 CO 0.47 -0.77 1.88 0.50 1.20 0.00 0.00 173.24 176.53 1j9k h LYS 14 N 3.47 0.48 -0.87 5.44 3.64 -1.92 -2.67 116.57 124.14 1j9k h LYS 14 Ca -0.49 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1j9k h LYS 14 Cb 1.23 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1j9k h LYS 14 CO 0.67 0.52 0.57 0.78 -2.27 0.00 0.00 179.45 179.72 1j9k h GLY 15 N 0.81 1.25 1.35 5.01 0.00 -1.91 -1.90 103.07 107.69 1j9k h GLY 15 Ca 0.10 -0.39 -0.28 0.00 0.00 0.00 0.00 47.33 46.75 1j9k h GLY 15 CO 0.01 0.28 -1.45 1.19 0.00 0.00 0.00 176.54 176.58 1j9k h ILE 16 N 0.98 1.22 0.31 2.60 2.10 -1.60 -1.85 117.51 121.26 1j9k h ILE 16 Ca 0.38 -2.91 -0.01 0.00 1.08 0.00 0.00 64.86 63.39 1j9k h ILE 16 Cb 0.22 2.72 0.00 0.00 -1.09 0.00 0.00 36.82 38.66 1j9k h ILE 16 CO -0.14 0.79 -0.15 0.40 -1.08 0.00 0.00 178.15 177.98 1j9k h ILE 17 N 0.04 0.73 -0.59 2.19 2.04 -1.25 -0.10 117.51 120.57 1j9k h ILE 17 Ca -0.20 -0.33 0.09 0.00 1.00 0.00 0.00 64.86 65.42 1j9k h ILE 17 Cb 1.96 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 1j9k h ILE 17 CO 0.14 0.07 0.20 0.58 0.00 0.00 0.00 178.15 179.14 1j9k h VAL 18 N -0.59 0.76 -0.08 1.67 2.07 -1.51 -0.32 116.25 118.25 1j9k h VAL 18 Ca -0.04 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1j9k h VAL 18 Cb 0.43 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1j9k h VAL 18 CO 0.07 0.07 0.05 0.25 0.02 0.00 0.00 177.57 178.02 1j9k h LEU 19 N 0.37 0.09 -0.72 2.57 5.85 -1.54 -2.08 115.31 119.85 1j9k h LEU 19 Ca 0.30 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1j9k h LEU 19 Cb 0.37 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1j9k h LEU 19 CO -0.31 0.11 0.34 0.00 -0.34 0.00 0.00 178.44 178.24 1j9k h ALA 20 N 0.98 0.93 -0.02 1.25 0.00 -0.52 -2.04 119.26 119.84 1j9k h ALA 20 Ca 0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1j9k h ALA 20 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1j9k h ALA 20 CO -0.01 0.49 0.01 0.93 0.00 0.00 0.00 179.25 180.68 1j9k h GLU 21 N 1.01 0.02 -0.38 0.00 5.08 -0.94 -2.23 114.58 117.14 1j9k h GLU 21 Ca 0.25 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1j9k h GLU 21 Cb 0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1j9k h GLU 21 CO -0.03 0.06 0.19 -0.07 -1.00 0.00 0.00 179.01 178.16 1j9k h LEU 22 N -0.02 0.48 -2.31 1.33 3.38 -1.29 -2.58 115.31 114.29 1j9k h LEU 22 Ca 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1j9k h LEU 22 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j9k h LEU 22 CO -0.00 0.46 -0.03 -0.07 0.09 0.00 0.00 178.44 178.89 1j9k h LEU 23 N 0.47 0.00 -0.29 1.67 3.38 -1.30 -2.14 115.31 117.11 1j9k h LEU 23 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1j9k h LEU 23 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1j9k h LEU 23 CO -0.02 0.03 0.00 0.77 0.09 0.00 0.00 178.44 179.31 1j9k h SER 24 N 0.00 0.00 0.00 -0.43 4.64 -0.98 -2.23 113.55 114.55 1j9k h SER 24 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j9k h SER 24 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1j9k h SER 24 CO 0.00 0.00 0.04 -0.62 -0.87 0.00 0.00 176.83 175.38 1j9k n GLU 25 N -2.90 0.02 -0.42 4.77 1.02 -0.80 -3.39 120.64 118.94 1j9k n GLU 25 Ca 0.04 0.50 -0.01 0.00 -0.02 0.00 0.00 57.16 57.67 1j9k n GLU 25 Cb 0.46 -1.62 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1j9k n GLU 25 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1j9k n GLU 26 N -1.61 0.00 -3.81 3.49 0.28 -1.22 -5.15 120.64 112.63 1j9k n GLU 26 Ca -0.00 -0.08 -0.12 0.00 -0.16 0.00 0.00 57.16 56.80 1j9k n GLU 26 Cb 0.04 0.06 -0.09 0.00 1.43 0.00 0.00 31.44 32.88 1j9k n GLU 26 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1j9k s HIS 27 N 0.00 -0.06 -0.71 -1.84 3.76 -0.84 -4.67 115.29 110.93 1j9k s HIS 27 Ca 0.00 0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 54.66 1j9k s HIS 27 Cb 0.00 0.03 0.04 0.00 1.11 0.00 0.00 32.58 33.76 1j9k s HIS 27 CO 0.00 -0.39 1.17 -2.00 -0.85 0.00 0.00 174.74 172.68 1j9k s GLU 28 N -1.76 3.17 -0.10 1.40 2.12 -0.70 -4.32 118.70 118.51 1j9k s GLU 28 Ca -0.11 -0.43 -0.11 0.00 0.36 0.00 0.00 54.97 54.68 1j9k s GLU 28 Cb -0.04 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.10 1j9k s GLU 28 CO 0.01 -2.03 0.24 0.08 -0.54 0.00 0.00 175.26 173.02 1j9k s VAL 29 N 5.17 5.33 -0.07 3.70 1.01 -1.26 -0.75 120.40 133.53 1j9k s VAL 29 Ca 0.31 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.76 1j9k s VAL 29 Cb -0.11 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1j9k s VAL 29 CO 0.13 0.55 -0.13 -0.36 0.00 0.00 0.00 175.10 175.30 1j9k s PHE 30 N -0.65 1.52 -0.21 5.22 0.40 -0.26 -2.59 117.98 121.41 1j9k s PHE 30 Ca 0.17 -0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1j9k s PHE 30 Cb -0.13 -1.10 0.01 0.00 0.51 0.00 0.00 43.02 42.31 1j9k s PHE 30 CO 0.06 -0.28 -0.11 0.08 0.70 0.00 0.00 175.22 175.67 1j9k s VAL 31 N 0.61 2.72 -0.31 -0.44 1.01 0.70 -0.08 120.40 124.62 1j9k s VAL 31 Ca -0.14 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1j9k s VAL 31 Cb -0.16 -2.24 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1j9k s VAL 31 CO 0.04 0.42 0.09 -0.69 0.00 0.00 0.00 175.10 174.96 1j9k s VAL 32 N 1.37 0.99 0.31 2.92 1.01 -0.57 0.19 120.40 126.62 1j9k s VAL 32 Ca 0.04 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.62 1j9k s VAL 32 Cb -0.14 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.44 1j9k s VAL 32 CO -0.07 -0.64 0.03 0.00 0.00 0.00 0.00 175.10 174.41 1j9k s ALA 33 N 1.56 2.32 0.70 5.51 0.00 -0.74 -4.39 121.76 126.72 1j9k s ALA 33 Ca 0.09 -2.01 -0.15 0.00 0.00 0.00 0.00 51.96 49.89 1j9k s ALA 33 Cb -0.17 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1j9k s ALA 33 CO -0.23 -0.25 1.17 -2.14 0.00 0.00 0.00 175.76 174.31 1j9k s PRO 34 N -3.85 2.42 0.00 0.00 0.02 -1.26 -0.87 135.00 131.46 1j9k s PRO 34 Ca 0.34 1.65 0.24 0.00 0.02 0.00 0.00 61.00 63.25 1j9k s PRO 34 Cb 0.08 -1.88 0.70 0.00 0.02 0.00 0.00 34.50 33.41 1j9k s PRO 34 CO 0.14 -1.60 1.54 -0.40 -0.33 0.00 0.00 177.00 176.35 1j9k n ASP 35 N -2.52 2.12 -3.83 2.53 3.85 -0.02 -0.95 116.55 117.72 1j9k n ASP 35 Ca 0.12 -1.74 -0.10 0.00 -0.71 0.00 0.00 54.79 52.36 1j9k n ASP 35 Cb 0.51 -0.08 -0.05 0.00 -1.35 0.00 0.00 41.12 40.14 1j9k n ASP 35 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1j9k s LYS 36 N -1.84 1.61 0.18 0.11 -2.85 -1.26 -4.90 119.74 110.80 1j9k s LYS 36 Ca 0.34 -1.38 -0.32 0.00 -1.00 0.00 0.00 55.97 53.61 1j9k s LYS 36 Cb 0.20 0.46 -0.12 0.00 -2.06 0.00 0.00 37.83 36.30 1j9k s LYS 36 CO 0.30 -0.67 1.71 -1.91 0.10 0.00 0.00 175.35 174.88 1j9k n GLU 37 N -0.41 2.64 -0.37 1.78 4.07 -1.26 -4.04 120.64 123.04 1j9k n GLU 37 Ca -0.01 0.95 0.03 0.00 -0.06 0.00 0.00 57.16 58.07 1j9k n GLU 37 Cb 0.62 -2.79 0.05 0.00 -0.06 0.00 0.00 31.44 29.26 1j9k n GLU 37 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1j9k n ARG 38 N 4.08 0.42 -2.07 5.31 5.12 0.70 -5.01 116.66 125.20 1j9k n ARG 38 Ca 0.17 -1.52 -0.40 0.00 -1.93 0.00 0.00 57.85 54.16 1j9k n ARG 38 Cb 0.34 -0.82 -0.01 0.00 -1.16 0.00 0.00 32.46 30.80 1j9k n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1j9k s SER 39 N -1.62 6.52 -1.06 0.55 0.01 -0.98 -2.73 113.70 114.38 1j9k s SER 39 Ca 0.11 2.68 0.00 0.00 1.31 0.00 0.00 55.95 60.05 1j9k s SER 39 Cb 0.09 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1j9k s SER 39 CO 0.01 -0.71 0.00 0.00 0.41 0.00 0.00 173.24 172.95 1j9k n ALA 40 N 0.43 -0.21 1.12 1.44 0.00 -1.24 -4.89 120.51 117.15 1j9k n ALA 40 Ca 0.02 0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1j9k n ALA 40 Cb 0.43 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 18.87 1j9k n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j9k n THR 41 N -3.11 0.10 -2.78 0.00 -2.24 -1.11 -4.91 114.28 100.24 1j9k n THR 41 Ca -0.11 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1j9k n THR 41 Cb 0.43 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1j9k n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9k n GLY 42 N 1.28 2.47 2.19 3.38 0.00 -0.33 -2.45 105.19 111.72 1j9k n GLY 42 Ca 0.17 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 1j9k n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j9k n HIS 43 N 14.00 3.00 -2.05 1.61 -0.00 -1.26 -4.35 115.22 126.17 1j9k n HIS 43 Ca 0.00 -2.57 -0.34 0.00 0.46 0.00 0.00 57.72 55.27 1j9k n HIS 43 Cb 0.00 -1.16 0.02 0.00 -0.12 0.00 0.00 29.99 28.73 1j9k n HIS 43 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1j9k s SER 44 N -1.93 5.47 0.07 0.26 1.04 -1.03 -4.98 113.70 112.60 1j9k s SER 44 Ca 0.60 2.10 0.01 0.00 0.48 0.00 0.00 55.95 59.13 1j9k s SER 44 Cb 0.49 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.00 1j9k s SER 44 CO 0.02 -1.39 -0.05 0.27 0.98 0.00 0.00 173.24 173.08 1j9k s ILE 45 N -2.02 0.47 -0.45 -1.02 -4.36 -1.26 -4.49 121.20 108.08 1j9k s ILE 45 Ca 0.70 -1.80 -0.16 0.00 -0.26 0.00 0.00 60.65 59.14 1j9k s ILE 45 Cb -0.22 -1.50 0.05 0.00 1.25 0.00 0.00 42.46 42.03 1j9k s ILE 45 CO 0.33 -0.89 0.37 -0.89 0.24 0.00 0.00 174.94 174.11 1j9k s THR 46 N -3.54 5.22 -0.00 8.37 2.01 -1.26 -4.87 115.64 121.56 1j9k s THR 46 Ca 0.08 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1j9k s THR 46 Cb 0.05 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1j9k s THR 46 CO -0.07 -0.48 0.01 2.30 -0.69 0.00 0.00 174.62 175.70 1j9k n ILE 47 N 5.22 0.01 0.16 1.82 -5.35 -1.26 -4.76 119.36 115.20 1j9k n ILE 47 Ca -0.11 -0.01 0.08 0.00 -0.27 0.00 0.00 62.75 62.44 1j9k n ILE 47 Cb 0.45 -0.03 0.08 0.00 -1.74 0.00 0.00 39.64 38.40 1j9k n ILE 47 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1j9k h HIS 48 N 0.00 0.00 -3.92 4.28 3.86 -2.08 -3.47 115.15 113.82 1j9k h HIS 48 Ca -0.00 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.93 1j9k h HIS 48 Cb 0.37 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.70 1j9k h HIS 48 CO 0.00 0.20 -0.65 0.14 0.86 0.00 0.00 177.93 178.48 1j9k s VAL 49 N -3.13 0.53 0.81 2.45 -7.23 -1.26 -5.15 120.40 107.42 1j9k s VAL 49 Ca 0.04 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1j9k s VAL 49 Cb 0.07 -2.17 0.08 0.00 0.56 0.00 0.00 36.38 34.91 1j9k s VAL 49 CO 0.72 -0.41 1.11 -2.84 -0.31 0.00 0.00 175.10 173.37 1j9k s PRO 50 N -3.96 1.93 -0.02 4.82 0.02 -1.26 -4.97 135.00 131.56 1j9k s PRO 50 Ca 0.26 1.30 0.02 0.00 0.02 0.00 0.00 61.00 62.60 1j9k s PRO 50 Cb 0.07 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.70 1j9k s PRO 50 CO 0.05 -1.91 -0.06 -0.51 -0.33 0.00 0.00 177.00 174.24 1j9k s LEU 51 N -6.06 3.20 0.12 -5.54 1.43 -1.26 -5.03 118.68 105.55 1j9k s LEU 51 Ca 0.63 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.73 1j9k s LEU 51 Cb -0.19 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1j9k s LEU 51 CO 0.56 0.31 -0.22 0.26 0.23 0.00 0.00 176.35 177.48 1j9k s TRP 52 N -0.95 1.93 0.15 0.29 0.52 -1.26 -5.00 118.94 114.62 1j9k s TRP 52 Ca 0.16 -0.41 0.07 0.00 0.02 0.00 0.00 56.10 55.93 1j9k s TRP 52 Cb -0.11 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1j9k s TRP 52 CO 0.06 0.26 -0.15 -1.64 0.02 0.00 0.00 176.95 175.50 1j9k s MET 53 N -2.06 1.13 -0.09 4.98 -1.94 -1.26 -1.60 119.30 118.45 1j9k s MET 53 Ca 0.10 -1.35 -0.04 0.00 -1.71 0.00 0.00 55.69 52.68 1j9k s MET 53 Cb -0.09 -1.01 0.05 0.00 2.01 0.00 0.00 34.83 35.78 1j9k s MET 53 CO 0.05 0.19 0.20 0.21 -0.01 0.00 0.00 175.02 175.66 1j9k s LYS 54 N -2.95 0.12 0.17 2.03 2.20 -0.43 -4.98 119.74 115.90 1j9k s LYS 54 Ca 0.13 0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 55.97 1j9k s LYS 54 Cb -0.04 -0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.04 1j9k s LYS 54 CO 0.04 -0.22 1.48 0.21 -0.36 0.00 0.00 175.35 176.50 1j9k s LYS 55 N 1.67 4.26 0.18 4.03 2.47 -1.26 -1.05 119.74 130.05 1j9k s LYS 55 Ca -0.05 2.25 0.06 0.00 -1.56 0.00 0.00 55.97 56.68 1j9k s LYS 55 Cb -0.11 -3.17 -0.05 0.00 -1.46 0.00 0.00 37.83 33.04 1j9k s LYS 55 CO -0.07 -0.50 -0.12 0.08 0.16 0.00 0.00 175.35 174.90 1j9k s VAL 56 N 0.82 1.45 -0.08 4.02 1.01 -0.45 -4.89 120.40 122.28 1j9k s VAL 56 Ca 0.65 -2.13 0.01 0.00 0.00 0.00 0.00 61.98 60.51 1j9k s VAL 56 Cb -0.41 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1j9k s VAL 56 CO 0.34 -0.65 -0.10 0.12 0.00 0.00 0.00 175.10 174.82 1j9k s PHE 57 N -3.15 2.86 0.00 5.22 5.36 -1.26 -4.00 117.98 123.00 1j9k s PHE 57 Ca 0.20 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 1j9k s PHE 57 Cb 0.01 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 40.95 1j9k s PHE 57 CO 0.04 0.15 0.00 0.44 -1.46 0.00 0.00 175.22 174.40 1j9k n ILE 58 N 2.63 0.00 -3.81 3.12 -5.35 -1.26 -5.08 119.36 109.61 1j9k n ILE 58 Ca -0.18 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.21 1j9k n ILE 58 Cb 0.53 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 1j9k n ILE 58 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1j9k s SER 59 N -2.14 -0.02 0.00 7.28 0.15 -1.26 -5.03 113.70 112.67 1j9k s SER 59 Ca 0.00 -0.59 0.28 0.00 0.70 0.00 0.00 55.95 56.33 1j9k s SER 59 Cb 0.00 0.41 1.01 0.00 -1.71 0.00 0.00 66.02 65.74 1j9k s SER 59 CO 0.00 -0.82 1.76 1.21 1.20 0.00 0.00 173.24 176.59 1j9k n GLU 60 N -0.16 0.05 -0.00 5.44 2.13 -1.26 -3.66 120.64 123.18 1j9k n GLU 60 Ca -0.13 -0.01 0.03 0.00 0.66 0.00 0.00 57.16 57.70 1j9k n GLU 60 Cb 0.63 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.79 1j9k n GLU 60 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1j9k n ARG 61 N -1.46 1.05 -3.47 5.31 1.74 -1.26 -4.99 116.66 113.57 1j9k n ARG 61 Ca 0.07 -0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1j9k n ARG 61 Cb 0.33 -1.08 -0.08 0.00 -1.02 0.00 0.00 32.46 30.61 1j9k n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j9k s VAL 62 N -2.27 5.25 -0.23 1.55 1.01 -1.24 -4.70 120.40 119.76 1j9k s VAL 62 Ca -0.01 0.56 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1j9k s VAL 62 Cb 0.04 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1j9k s VAL 62 CO 0.25 0.29 0.78 -0.69 0.00 0.00 0.00 175.10 175.74 1j9k s VAL 63 N 1.12 4.88 0.06 2.92 1.01 -1.07 -4.35 120.40 124.96 1j9k s VAL 63 Ca 0.16 1.47 0.07 0.00 0.00 0.00 0.00 61.98 63.68 1j9k s VAL 63 Cb -0.14 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1j9k s VAL 63 CO 0.06 -0.03 -0.19 0.00 0.00 0.00 0.00 175.10 174.94 1j9k s ALA 64 N 2.63 1.64 -0.11 5.51 0.00 -1.26 -0.22 121.76 129.96 1j9k s ALA 64 Ca 0.33 -1.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 1j9k s ALA 64 Cb -0.15 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.72 1j9k s ALA 64 CO 0.08 0.35 0.28 0.71 0.00 0.00 0.00 175.76 177.18 1j9k s TYR 65 N -0.91 -0.32 0.28 0.00 1.51 0.13 -1.33 117.35 116.70 1j9k s TYR 65 Ca 0.06 0.77 0.07 0.00 -1.01 0.00 0.00 57.07 56.96 1j9k s TYR 65 Cb -0.09 0.10 -0.03 0.00 -0.11 0.00 0.00 41.96 41.83 1j9k s TYR 65 CO 0.02 -0.17 0.26 -1.54 -1.11 0.00 0.00 175.55 173.02 1j9k s SER 66 N 0.38 5.62 0.10 2.29 1.04 -0.21 -1.79 113.70 121.13 1j9k s SER 66 Ca -0.02 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 1j9k s SER 66 Cb -0.04 -1.36 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 1j9k s SER 66 CO -0.02 -0.15 0.15 0.42 0.98 0.00 0.00 173.24 174.62 1j9k s THR 67 N -2.16 0.13 -2.11 2.02 -4.23 -0.05 -1.32 115.64 107.94 1j9k s THR 67 Ca 0.36 -1.47 0.15 0.00 -1.18 0.00 0.00 61.69 59.55 1j9k s THR 67 Cb -0.08 -1.61 0.39 0.00 1.34 0.00 0.00 72.50 72.55 1j9k s THR 67 CO 0.26 -0.61 1.47 0.35 -0.54 0.00 0.00 174.62 175.55 1j9k n THR 68 N -0.07 0.16 -3.03 3.99 -2.24 -0.63 -0.84 114.28 111.63 1j9k n THR 68 Ca -0.12 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1j9k n THR 68 Cb 0.62 0.10 0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1j9k n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9k n GLY 69 N 0.93 1.96 3.93 3.38 0.00 -1.26 -4.92 105.19 109.19 1j9k n GLY 69 Ca 0.12 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 1j9k n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9k s THR 70 N -0.77 2.12 0.25 2.61 -4.23 -1.26 -4.53 115.64 109.82 1j9k s THR 70 Ca 0.30 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1j9k s THR 70 Cb -0.02 -2.97 0.22 0.00 1.34 0.00 0.00 72.50 71.07 1j9k s THR 70 CO 0.19 0.00 1.79 -0.65 -0.54 0.00 0.00 174.62 175.41 1j9k h PRO 71 N -0.96 0.70 -0.53 3.99 0.11 -1.85 -0.01 132.00 133.45 1j9k h PRO 71 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1j9k h PRO 71 Cb 1.30 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1j9k h PRO 71 CO 0.56 0.46 0.25 0.00 -0.21 0.00 0.00 178.00 179.06 1j9k h ALA 72 N 1.49 0.68 -0.82 -0.75 0.00 -1.80 -2.34 119.26 115.72 1j9k h ALA 72 Ca 0.42 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1j9k h ALA 72 Cb 0.47 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1j9k h ALA 72 CO -0.29 0.25 0.54 -0.44 0.00 0.00 0.00 179.25 179.30 1j9k h ASP 73 N 0.71 0.91 -0.92 0.00 3.32 -1.48 -2.17 116.42 116.78 1j9k h ASP 73 Ca 0.18 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.30 1j9k h ASP 73 Cb 0.13 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.39 1j9k h ASP 73 CO -0.02 0.64 0.57 0.00 -1.72 0.00 0.00 179.24 178.71 1j9k h VAL 75 N 1.00 1.27 -0.46 0.00 2.07 -0.94 0.14 116.25 119.32 1j9k h VAL 75 Ca 0.42 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 1j9k h VAL 75 Cb 0.28 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1j9k h VAL 75 CO -0.21 0.49 0.05 0.11 0.02 0.00 0.00 177.57 178.03 1j9k h LYS 76 N 0.76 0.79 0.21 1.57 1.57 -0.89 -1.47 116.57 119.11 1j9k h LYS 76 Ca 0.08 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1j9k h LYS 76 Cb 0.88 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1j9k h LYS 76 CO 0.08 0.82 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.60 1j9k h LEU 77 N 0.65 -0.24 -0.53 2.94 3.38 -0.84 -1.90 115.31 118.76 1j9k h LEU 77 Ca 0.14 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.00 1j9k h LEU 77 Cb 0.43 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1j9k h LEU 77 CO 0.01 0.10 -0.21 0.00 0.09 0.00 0.00 178.44 178.44 1j9k h ALA 78 N 0.10 0.21 -0.08 1.53 0.00 -0.67 0.14 119.26 120.48 1j9k h ALA 78 Ca -0.03 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j9k h ALA 78 Cb 0.44 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1j9k h ALA 78 CO 0.05 -0.52 0.03 -0.92 0.00 0.00 0.00 179.25 177.88 1j9k h TYR 79 N -0.08 0.12 0.05 0.00 3.20 -1.28 0.15 116.97 119.13 1j9k h TYR 79 Ca 0.25 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.88 1j9k h TYR 79 Cb 0.47 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 1j9k h TYR 79 CO -0.51 0.25 -1.06 -0.91 -1.64 0.00 0.00 178.16 174.29 1j9k h ASN 80 N -0.05 0.26 0.00 -2.11 4.21 -0.94 0.12 115.58 117.06 1j9k h ASN 80 Ca 0.02 -0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.28 1j9k h ASN 80 Cb 0.18 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 1j9k h ASN 80 CO -0.00 1.15 -0.06 1.33 -1.29 0.00 0.00 177.43 178.57 1j9k n VAL 81 N -3.52 0.00 -0.06 2.81 0.24 0.44 -4.68 118.33 113.57 1j9k n VAL 81 Ca -0.05 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.34 61.70 1j9k n VAL 81 Cb 0.94 1.00 -0.06 0.00 -1.47 0.00 0.00 33.84 34.24 1j9k n VAL 81 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1j9k n VAL 82 N -1.03 0.68 -1.24 3.34 0.31 -0.74 -4.76 118.33 114.90 1j9k n VAL 82 Ca 0.00 -0.28 -0.02 0.00 -0.01 0.00 0.00 64.34 64.03 1j9k n VAL 82 Cb 0.02 -0.90 0.23 0.00 -0.91 0.00 0.00 33.84 32.27 1j9k n VAL 82 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1j9k n MET 83 N -2.78 2.40 -4.39 5.55 2.81 0.45 -4.98 117.12 116.19 1j9k n MET 83 Ca -0.20 -3.05 -0.38 0.00 -1.81 0.00 0.00 57.70 52.26 1j9k n MET 83 Cb 0.74 -1.89 -0.08 0.00 -0.71 0.00 0.00 33.22 31.27 1j9k n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j9k n ASP 84 N -0.84 -0.93 -1.74 7.83 2.03 -1.25 0.24 116.55 121.89 1j9k n ASP 84 Ca 0.32 -1.22 -0.20 0.00 0.52 0.00 0.00 54.79 54.21 1j9k n ASP 84 Cb 1.08 -1.54 -0.07 0.00 -0.72 0.00 0.00 41.12 39.86 1j9k n ASP 84 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1j9k n LYS 85 N -4.10 -1.50 -3.90 -0.67 5.02 0.03 -4.94 118.16 108.09 1j9k n LYS 85 Ca -0.02 1.16 -0.33 0.00 -2.02 0.00 0.00 58.31 57.10 1j9k n LYS 85 Cb 0.51 -5.59 -0.13 0.00 -0.02 0.00 0.00 35.03 29.80 1j9k n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j9k s ARG 86 N -3.97 1.90 -0.06 1.97 0.52 0.14 -5.05 118.95 114.39 1j9k s ARG 86 Ca 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 55.73 53.03 1j9k s ARG 86 Cb 0.00 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 32.10 1j9k s ARG 86 CO 0.00 -1.05 -0.05 0.08 0.02 0.00 0.00 175.30 174.30 1j9k s VAL 87 N 0.45 0.67 -0.15 3.52 1.01 -1.26 -4.89 120.40 119.75 1j9k s VAL 87 Ca 0.13 -0.15 0.13 0.00 0.00 0.00 0.00 61.98 62.09 1j9k s VAL 87 Cb -0.22 -0.70 -0.24 0.00 0.00 0.00 0.00 36.38 35.22 1j9k s VAL 87 CO -0.04 0.27 0.27 0.47 0.00 0.00 0.00 175.10 176.07 1j9k n ASP 88 N 4.38 0.62 -3.72 3.32 8.00 -0.26 -4.88 116.55 124.01 1j9k n ASP 88 Ca -0.19 0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 1j9k n ASP 88 Cb 0.51 0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 41.89 1j9k n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j9k s LEU 89 N -5.89 0.40 -0.11 0.64 2.96 -1.12 -4.27 118.68 111.28 1j9k s LEU 89 Ca -0.11 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1j9k s LEU 89 Cb 0.07 1.51 0.01 0.00 0.50 0.00 0.00 46.19 48.27 1j9k s LEU 89 CO 0.80 -0.25 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.75 1j9k s ILE 90 N -0.24 1.82 -0.10 6.68 1.01 -0.56 -0.30 121.20 129.51 1j9k s ILE 90 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1j9k s ILE 90 Cb -0.03 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.85 1j9k s ILE 90 CO 0.02 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.65 1j9k s VAL 91 N 0.62 1.28 -0.23 2.92 1.01 -0.19 -0.12 120.40 125.69 1j9k s VAL 91 Ca -0.13 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1j9k s VAL 91 Cb -0.17 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1j9k s VAL 91 CO 0.04 0.40 -0.06 -0.55 0.00 0.00 0.00 175.10 174.92 1j9k s SER 92 N 1.13 4.19 0.00 3.32 0.15 0.76 -1.90 113.70 121.34 1j9k s SER 92 Ca -0.05 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.03 1j9k s SER 92 Cb -0.14 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1j9k s SER 92 CO -0.03 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1j9k n GLY 93 N 4.74 0.43 3.70 9.45 0.00 0.44 -1.30 105.19 122.65 1j9k n GLY 93 Ca -0.18 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1j9k n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j9k s VAL 94 N -3.22 4.89 0.46 1.61 1.01 -0.70 -3.85 120.40 120.60 1j9k s VAL 94 Ca 0.00 1.82 -0.21 0.00 0.00 0.00 0.00 61.98 63.58 1j9k s VAL 94 Cb 0.00 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1j9k s VAL 94 CO 0.00 0.11 1.05 0.21 0.00 0.00 0.00 175.10 176.46 1j9k s ASN 95 N 1.02 6.45 -0.50 3.32 2.47 -0.63 -4.40 114.94 122.67 1j9k s ASN 95 Ca 0.45 1.97 -0.19 0.00 0.42 0.00 0.00 52.86 55.51 1j9k s ASN 95 Cb -0.18 -2.57 0.06 0.00 -1.45 0.00 0.00 41.25 37.10 1j9k s ASN 95 CO 0.19 -0.71 0.62 -0.60 -3.72 0.00 0.00 177.10 172.89 1j9k s ARG 96 N -3.01 3.12 0.00 0.43 3.52 -1.26 -0.98 118.95 120.78 1j9k s ARG 96 Ca 0.65 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1j9k s ARG 96 Cb -0.18 -4.09 0.00 0.00 -1.56 0.00 0.00 34.95 29.11 1j9k s ARG 96 CO 0.22 -1.21 0.00 0.41 -0.81 0.00 0.00 175.30 173.92 1j9k n GLY 97 N 5.17 2.93 3.83 8.12 0.00 -0.40 -4.80 105.19 120.04 1j9k n GLY 97 Ca -0.07 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 1j9k n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j9k s PRO 98 N -3.19 2.65 -0.42 1.61 0.04 -1.22 -3.83 135.00 130.63 1j9k s PRO 98 Ca 0.00 0.69 0.04 0.00 0.04 0.00 0.00 61.00 61.77 1j9k s PRO 98 Cb 0.00 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.73 1j9k s PRO 98 CO 0.00 -1.24 0.42 -0.80 0.04 0.00 0.00 177.00 175.42 1j9k s ASN 99 N -4.01 0.87 0.17 6.66 0.02 -1.26 -5.05 114.94 112.34 1j9k s ASN 99 Ca 0.59 -2.49 0.03 0.00 -1.02 0.00 0.00 52.86 49.97 1j9k s ASN 99 Cb -0.13 0.22 -0.05 0.00 0.02 0.00 0.00 41.25 41.31 1j9k s ASN 99 CO 0.54 -0.17 -0.05 -0.04 0.02 0.00 0.00 177.10 177.40 1j9k s MET 100 N 0.52 1.11 3.51 -0.60 -1.94 -1.26 -4.80 119.30 115.84 1j9k s MET 100 Ca 0.29 -1.51 0.00 0.00 -1.71 0.00 0.00 55.69 52.76 1j9k s MET 100 Cb -0.02 -0.51 0.00 0.00 2.01 0.00 0.00 34.83 36.31 1j9k s MET 100 CO -0.12 -0.01 0.00 0.41 -0.01 0.00 0.00 175.02 175.28 1j9k n GLY 101 N -0.24 0.55 0.28 -0.03 0.00 -1.26 -3.08 105.19 101.42 1j9k n GLY 101 Ca -0.08 -0.79 0.19 0.00 0.00 0.00 0.00 46.02 45.33 1j9k n GLY 101 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1j9k h MET 102 N 0.00 0.00 0.00 1.61 2.86 -1.29 -2.90 114.93 115.21 1j9k h MET 102 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j9k h MET 102 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1j9k h MET 102 CO 0.00 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 177.53 1j9k h ASP 103 N 0.00 0.00 0.14 1.22 3.32 -1.71 -2.03 116.42 117.36 1j9k h ASP 103 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1j9k h ASP 103 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1j9k h ASP 103 CO 0.00 0.00 -0.04 0.16 -1.72 0.00 0.00 179.24 177.64 1j9k h ILE 104 N 0.00 0.46 0.00 0.35 3.07 -1.66 -2.19 117.51 117.54 1j9k h ILE 104 Ca 0.00 -0.19 -0.05 0.00 1.55 0.00 0.00 64.86 66.17 1j9k h ILE 104 Cb 0.02 1.12 -0.01 0.00 -0.27 0.00 0.00 36.82 37.69 1j9k h ILE 104 CO 0.00 0.04 -0.26 -0.07 -1.05 0.00 0.00 178.15 176.81 1j9k h LEU 105 N 0.00 0.00 -2.45 0.16 3.38 -1.63 -2.65 115.31 112.12 1j9k h LEU 105 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j9k h LEU 105 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1j9k h LEU 105 CO 0.01 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1j9k n HIS 106 N -4.14 0.48 -2.45 1.13 1.44 -0.84 -4.34 115.22 106.49 1j9k n HIS 106 Ca -0.02 -0.34 -0.42 0.00 -2.01 0.00 0.00 57.72 54.92 1j9k n HIS 106 Cb 0.32 -0.01 -0.03 0.00 0.12 0.00 0.00 29.99 30.39 1j9k n HIS 106 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1j9k s SER 107 N -1.12 7.06 0.17 4.39 0.01 -1.00 -1.19 113.70 122.01 1j9k s SER 107 Ca 0.30 1.85 -0.02 0.00 1.31 0.00 0.00 55.95 59.38 1j9k s SER 107 Cb 0.17 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.87 1j9k s SER 107 CO 0.23 -0.57 1.42 1.23 0.41 0.00 0.00 173.24 175.96 1j9k h GLY 108 N 7.98 0.48 0.92 3.44 0.00 -1.79 -2.22 103.07 111.88 1j9k h GLY 108 Ca -0.35 -0.68 0.01 0.00 0.00 0.00 0.00 47.33 46.30 1j9k h GLY 108 CO 0.87 0.61 -0.02 -0.84 0.00 0.00 0.00 176.54 177.15 1j9k h THR 109 N 0.29 0.94 -0.60 4.70 2.02 -1.89 -1.72 112.91 116.64 1j9k h THR 109 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1j9k h THR 109 Cb 1.32 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1j9k h THR 109 CO 0.13 0.00 0.28 0.58 0.37 0.00 0.00 175.52 176.88 1j9k h VAL 110 N -0.03 1.21 -0.17 3.16 2.07 -1.86 -2.69 116.25 117.94 1j9k h VAL 110 Ca 0.02 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.91 1j9k h VAL 110 Cb 0.05 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1j9k h VAL 110 CO -0.04 0.25 0.04 0.77 0.02 0.00 0.00 177.57 178.61 1j9k h SER 111 N 0.82 0.21 -0.16 0.57 4.64 -1.09 0.39 113.55 118.94 1j9k h SER 111 Ca 0.21 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1j9k h SER 111 Cb 0.13 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1j9k h SER 111 CO -0.02 0.23 0.08 1.23 -0.87 0.00 0.00 176.83 177.48 1j9k h GLY 112 N 0.42 0.24 1.27 -0.77 0.00 -0.98 -0.32 103.07 102.94 1j9k h GLY 112 Ca 0.06 -0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 1j9k h GLY 112 CO -0.00 0.11 -0.23 0.00 0.00 0.00 0.00 176.54 176.41 1j9k h ALA 113 N 0.97 0.82 -0.02 3.60 0.00 -1.27 -2.87 119.26 120.49 1j9k h ALA 113 Ca 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1j9k h ALA 113 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j9k h ALA 113 CO -0.01 0.65 -0.17 1.98 0.00 0.00 0.00 179.25 181.70 1j9k h MET 114 N 0.72 0.03 -0.52 0.00 -1.53 0.05 -0.83 114.93 112.84 1j9k h MET 114 Ca 0.10 -0.01 -0.12 0.00 -3.44 0.00 0.00 59.70 56.23 1j9k h MET 114 Cb 0.76 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.79 1j9k h MET 114 CO 0.06 0.19 -0.13 1.49 0.14 0.00 0.00 176.91 178.66 1j9k h GLU 115 N 0.03 1.00 -0.74 0.39 4.57 -0.84 0.08 114.58 119.07 1j9k h GLU 115 Ca 0.00 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 57.78 1j9k h GLU 115 Cb 0.31 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1j9k h GLU 115 CO 0.02 1.06 0.38 0.78 -1.18 0.00 0.00 179.01 180.07 1j9k h GLY 116 N 0.93 1.13 0.98 1.92 0.00 -1.10 -1.47 103.07 105.46 1j9k h GLY 116 Ca 0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1j9k h GLY 116 CO 0.05 0.52 0.27 0.00 0.00 0.00 0.00 176.54 177.37 1j9k h ALA 117 N 1.19 0.69 -0.44 3.60 0.00 -0.76 0.95 119.26 124.49 1j9k h ALA 117 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1j9k h ALA 117 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1j9k h ALA 117 CO -0.04 0.24 0.29 0.52 0.00 0.00 0.00 179.25 180.27 1j9k h MET 118 N 0.72 0.47 -0.12 0.00 2.07 -0.46 0.28 114.93 117.89 1j9k h MET 118 Ca 0.19 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 1j9k h MET 118 Cb 0.10 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.73 1j9k h MET 118 CO -0.02 0.31 0.00 -1.33 1.07 0.00 0.00 176.91 176.94 1j9k n MET 119 N -4.48 1.55 -3.48 1.72 2.81 -0.60 -4.93 117.12 109.71 1j9k n MET 119 Ca 0.05 -0.82 -0.18 0.00 -1.81 0.00 0.00 57.70 54.93 1j9k n MET 119 Cb 0.14 -1.38 0.08 0.00 -0.71 0.00 0.00 33.22 31.36 1j9k n MET 119 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1j9k n ASN 120 N 0.04 -2.36 -4.21 7.83 5.15 0.97 -5.02 115.26 117.66 1j9k n ASN 120 Ca 0.16 -0.64 -0.32 0.00 -0.60 0.00 0.00 54.58 53.18 1j9k n ASN 120 Cb 0.27 -4.98 -0.17 0.00 -0.53 0.00 0.00 39.78 34.37 1j9k n ASN 120 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1j9k s ILE 121 N -3.39 2.06 -0.05 -1.44 1.01 0.22 -4.81 121.20 114.80 1j9k s ILE 121 Ca 0.06 -1.01 -0.38 0.00 0.00 0.00 0.00 60.65 59.32 1j9k s ILE 121 Cb -0.03 -1.79 -0.16 0.00 0.01 0.00 0.00 42.46 40.49 1j9k s ILE 121 CO 0.74 0.56 1.51 -2.65 0.00 0.00 0.00 174.94 175.10 1j9k n PRO 122 N 3.67 1.21 -4.07 2.79 -0.02 -1.26 -3.90 135.00 133.43 1j9k n PRO 122 Ca -0.19 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.62 1j9k n PRO 122 Cb 0.53 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.79 1j9k n PRO 122 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1j9k s SER 123 N 1.74 0.72 -0.01 2.55 0.01 -1.26 -1.49 113.70 115.96 1j9k s SER 123 Ca 0.90 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1j9k s SER 123 Cb -0.98 0.08 0.01 0.00 0.21 0.00 0.00 66.02 65.35 1j9k s SER 123 CO 0.54 -0.33 0.01 -0.63 0.41 0.00 0.00 173.24 173.23 1j9k s ILE 124 N -2.20 0.02 -0.13 1.44 1.01 0.82 -1.54 121.20 120.61 1j9k s ILE 124 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1j9k s ILE 124 Cb -0.04 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.33 1j9k s ILE 124 CO -0.02 0.06 -0.11 0.00 0.00 0.00 0.00 174.94 174.86 1j9k s ALA 125 N 0.53 2.69 -0.04 9.38 0.00 -0.07 -0.17 121.76 134.07 1j9k s ALA 125 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1j9k s ALA 125 Cb -0.07 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1j9k s ALA 125 CO -0.01 0.24 -0.10 -1.50 0.00 0.00 0.00 175.76 174.38 1j9k s ILE 126 N 0.35 0.95 0.04 0.00 2.07 -0.42 0.42 121.20 124.61 1j9k s ILE 126 Ca -0.10 -0.41 0.03 0.00 -1.41 0.00 0.00 60.65 58.77 1j9k s ILE 126 Cb -0.16 -0.86 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 1j9k s ILE 126 CO 0.05 0.30 -0.09 -0.44 -1.91 0.00 0.00 174.94 172.85 1j9k s SER 127 N 0.46 1.07 -0.36 4.50 0.01 0.29 -1.60 113.70 118.07 1j9k s SER 127 Ca -0.09 -0.52 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 1j9k s SER 127 Cb -0.13 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1j9k s SER 127 CO 0.02 -0.14 0.55 -0.55 0.41 0.00 0.00 173.24 173.53 1j9k s SER 128 N -1.46 6.35 0.00 2.44 0.15 -0.15 -0.92 113.70 120.11 1j9k s SER 128 Ca -0.06 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1j9k s SER 128 Cb -0.09 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1j9k s SER 128 CO 0.01 -0.53 0.31 0.00 1.20 0.00 0.00 173.24 174.23 1j9k n ALA 129 N 5.85 1.21 -3.91 5.45 0.00 0.19 -1.28 120.51 128.03 1j9k n ALA 129 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 1j9k n ALA 129 Cb 0.49 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 18.97 1j9k n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j9k s ASN 130 N -1.76 3.75 0.03 0.00 3.84 -1.26 -4.33 114.94 115.20 1j9k s ASN 130 Ca 0.00 -1.15 -0.31 0.00 0.21 0.00 0.00 52.86 51.61 1j9k s ASN 130 Cb 0.00 -1.11 -0.17 0.00 -0.55 0.00 0.00 41.25 39.42 1j9k s ASN 130 CO 0.00 -0.25 1.28 0.22 -2.79 0.00 0.00 177.10 175.56 1j9k h TYR 131 N 7.99 -1.01 0.38 0.43 3.20 -1.87 -2.37 116.97 123.72 1j9k h TYR 131 Ca -0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 1j9k h TYR 131 Cb 1.08 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 1j9k h TYR 131 CO 0.47 -0.63 -0.39 0.93 -1.64 0.00 0.00 178.16 176.90 1j9k h GLU 132 N -1.28 -0.75 -3.51 1.82 3.07 -1.96 -3.37 114.58 108.61 1j9k h GLU 132 Ca -0.11 0.05 -0.73 0.00 -0.50 0.00 0.00 59.36 58.06 1j9k h GLU 132 Cb 0.84 0.17 -0.32 0.00 -0.84 0.00 0.00 28.75 28.60 1j9k h GLU 132 CO 0.18 -0.50 -0.02 -1.12 -1.40 0.00 0.00 179.01 176.15 1j9k s SER 133 N -3.88 6.19 0.87 1.42 0.01 -1.25 -5.06 113.70 112.00 1j9k s SER 133 Ca -0.14 -3.33 -0.11 0.00 1.31 0.00 0.00 55.95 53.69 1j9k s SER 133 Cb 0.03 -2.00 0.12 0.00 0.21 0.00 0.00 66.02 64.38 1j9k s SER 133 CO 0.46 -0.31 1.11 -2.16 0.41 0.00 0.00 173.24 172.75 1j9k s PRO 134 N -0.78 1.41 -0.41 12.44 0.04 -0.89 -4.70 135.00 142.10 1j9k s PRO 134 Ca 0.24 1.22 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1j9k s PRO 134 Cb -0.11 -1.80 0.22 0.00 0.04 0.00 0.00 34.50 32.85 1j9k s PRO 134 CO -0.09 -2.25 0.51 -3.47 0.04 0.00 0.00 177.00 171.74 1j9k n ASP 135 N -3.94 -0.48 -0.10 6.66 -0.08 -1.26 -5.00 116.55 112.35 1j9k n ASP 135 Ca 0.09 -2.66 -0.06 0.00 -1.51 0.00 0.00 54.79 50.65 1j9k n ASP 135 Cb 0.53 -0.28 0.01 0.00 2.34 0.00 0.00 41.12 43.73 1j9k n ASP 135 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1j9k h PHE 136 N 4.53 0.04 -0.84 -0.67 0.05 -1.95 -0.96 116.94 117.14 1j9k h PHE 136 Ca 0.11 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.89 1j9k h PHE 136 Cb 0.91 0.04 -0.04 0.00 2.00 0.00 0.00 35.95 38.86 1j9k h PHE 136 CO 0.29 -0.03 0.41 1.49 -0.18 0.00 0.00 178.31 180.30 1j9k h GLU 137 N 0.14 1.21 -0.24 1.51 4.81 -1.94 -0.43 114.58 119.63 1j9k h GLU 137 Ca 0.17 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1j9k h GLU 137 Cb 0.21 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1j9k h GLU 137 CO -0.25 0.92 0.11 0.78 -0.73 0.00 0.00 179.01 179.84 1j9k h GLY 138 N 1.20 0.37 0.98 1.92 0.00 -1.87 0.11 103.07 105.78 1j9k h GLY 138 Ca 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1j9k h GLY 138 CO -0.04 0.18 0.26 0.00 0.00 0.00 0.00 176.54 176.94 1j9k h ALA 139 N 0.97 0.63 -0.32 3.60 0.00 -0.92 -0.85 119.26 122.35 1j9k h ALA 139 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1j9k h ALA 139 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j9k h ALA 139 CO -0.01 0.15 0.11 0.00 0.00 0.00 0.00 179.25 179.50 1j9k h ALA 140 N 1.10 0.42 -0.57 0.00 0.00 -0.92 -2.17 119.26 117.13 1j9k h ALA 140 Ca 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j9k h ALA 140 Cb 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1j9k h ALA 140 CO -0.03 0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.61 1j9k h ARG 141 N 0.36 0.76 -0.39 0.00 2.47 -0.58 -1.57 114.38 115.44 1j9k h ARG 141 Ca 0.10 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 1j9k h ARG 141 Cb 0.24 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1j9k h ARG 141 CO -0.00 0.54 0.09 0.35 0.56 0.00 0.00 179.97 181.51 1j9k h PHE 142 N 0.78 0.66 -0.75 3.04 3.57 -0.85 -2.48 116.94 120.91 1j9k h PHE 142 Ca 0.20 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1j9k h PHE 142 Cb -0.02 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 1j9k h PHE 142 CO 0.00 0.64 0.49 1.25 -2.23 0.00 0.00 178.31 178.46 1j9k h LEU 143 N 0.49 0.86 -0.81 0.59 5.85 -0.73 0.32 115.31 121.88 1j9k h LEU 143 Ca 0.12 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1j9k h LEU 143 Cb 0.31 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1j9k h LEU 143 CO 0.00 0.63 0.46 0.40 -0.34 0.00 0.00 178.44 179.59 1j9k h ILE 144 N 1.02 1.24 -0.32 4.05 2.04 -1.17 0.03 117.51 124.39 1j9k h ILE 144 Ca 0.27 -0.56 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 1j9k h ILE 144 Cb -0.11 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1j9k h ILE 144 CO -0.06 0.26 -0.47 -0.78 0.00 0.00 0.00 178.15 177.09 1j9k h ASP 145 N 1.12 0.95 -0.65 1.72 3.58 -0.96 -3.19 116.42 118.99 1j9k h ASP 145 Ca 0.29 -0.47 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 1j9k h ASP 145 Cb 0.00 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 1j9k h ASP 145 CO -0.05 1.27 0.32 0.15 -2.88 0.00 0.00 179.24 178.04 1j9k h PHE 146 N 0.69 0.92 -0.70 0.28 3.57 0.15 -2.81 116.94 119.04 1j9k h PHE 146 Ca 0.04 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1j9k h PHE 146 Cb 1.07 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1j9k h PHE 146 CO 0.07 0.69 0.46 -0.07 -2.23 0.00 0.00 178.31 177.23 1j9k h LEU 147 N 0.89 0.50 -0.13 0.59 3.38 -0.99 0.16 115.31 119.72 1j9k h LEU 147 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1j9k h LEU 147 Cb 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j9k h LEU 147 CO -0.03 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.09 1j9k n LYS 148 N -4.49 0.07 -0.01 1.13 5.02 -1.07 -3.09 118.16 115.72 1j9k n LYS 148 Ca 0.12 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1j9k n LYS 148 Cb 0.36 -1.60 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 1j9k n LYS 148 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j9k n GLU 149 N -1.72 1.76 -4.64 1.97 1.02 0.42 -5.02 120.64 114.42 1j9k n GLU 149 Ca 0.04 -1.22 -0.33 0.00 -0.02 0.00 0.00 57.16 55.63 1j9k n GLU 149 Cb 0.26 -1.02 -0.13 0.00 -0.02 0.00 0.00 31.44 30.53 1j9k n GLU 149 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j9k s PHE 150 N -0.70 2.89 -0.54 -0.32 5.36 -0.36 -5.07 117.98 119.23 1j9k s PHE 150 Ca 0.01 -0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 55.34 1j9k s PHE 150 Cb 0.01 -1.86 0.06 0.00 -0.34 0.00 0.00 43.02 40.89 1j9k s PHE 150 CO 0.01 -0.09 0.72 0.34 -1.46 0.00 0.00 175.22 174.75 1j9k s ASP 151 N 0.21 6.23 0.12 6.13 -1.08 -1.26 -4.93 116.67 122.09 1j9k s ASP 151 Ca -0.06 -0.89 0.13 0.00 -0.52 0.00 0.00 52.55 51.22 1j9k s ASP 151 Cb -0.15 -2.33 0.62 0.00 -1.46 0.00 0.00 42.92 39.61 1j9k s ASP 151 CO 0.04 -1.03 1.41 0.49 0.52 0.00 0.00 175.17 176.60 1j9k n PHE 152 N 6.57 0.33 0.35 -5.34 3.01 -1.26 -1.48 117.46 119.64 1j9k n PHE 152 Ca -0.05 0.15 0.14 0.00 1.01 0.00 0.00 57.45 58.70 1j9k n PHE 152 Cb 0.45 -0.74 0.49 0.00 -0.01 0.00 0.00 39.48 39.67 1j9k n PHE 152 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j9k h SER 153 N 0.00 0.00 0.45 4.37 4.64 -2.02 -2.17 113.55 118.81 1j9k h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j9k h SER 153 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1j9k h SER 153 CO 0.00 0.00 -0.15 0.18 -0.87 0.00 0.00 176.83 175.99 1j9k n LEU 154 N -2.74 0.45 -4.42 5.97 4.77 -0.55 -4.61 117.00 115.87 1j9k n LEU 154 Ca 0.02 0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.62 1j9k n LEU 154 Cb 0.35 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1j9k n LEU 154 CO 0.27 0.09 0.41 -0.22 -1.33 0.00 0.00 177.39 176.61 1j9k s LEU 155 N -2.60 5.05 0.97 2.23 2.96 -0.82 -5.03 118.68 121.44 1j9k s LEU 155 Ca 0.25 -1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 52.92 1j9k s LEU 155 Cb 0.20 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1j9k s LEU 155 CO 0.51 -1.04 0.24 0.47 -1.32 0.00 0.00 176.35 175.22 1j9k n ASP 156 N 6.40 -2.52 -4.74 3.68 10.43 -1.26 -4.88 116.55 123.66 1j9k n ASP 156 Ca -0.07 0.28 -0.36 0.00 2.57 0.00 0.00 54.79 57.22 1j9k n ASP 156 Cb 0.44 -1.14 0.06 0.00 1.84 0.00 0.00 41.12 42.32 1j9k n ASP 156 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1j9k s PRO 157 N -3.45 2.68 -1.91 -0.24 0.04 -1.26 -2.39 135.00 128.46 1j9k s PRO 157 Ca 0.55 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1j9k s PRO 157 Cb -0.20 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1j9k s PRO 157 CO 0.69 -1.44 0.00 1.19 0.04 0.00 0.00 177.00 177.48 1j9k n PHE 158 N -1.96 -0.45 -4.44 0.56 3.01 -1.25 -4.96 117.46 107.96 1j9k n PHE 158 Ca 0.14 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.31 1j9k n PHE 158 Cb 0.50 -3.49 -0.13 0.00 -0.01 0.00 0.00 39.48 36.35 1j9k n PHE 158 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1j9k s THR 159 N -2.77 2.24 0.21 4.37 2.01 -1.01 -4.09 115.64 116.61 1j9k s THR 159 Ca 0.00 -1.72 0.02 0.00 0.31 0.00 0.00 61.69 60.30 1j9k s THR 159 Cb 0.00 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 1j9k s THR 159 CO 0.00 0.11 0.04 0.00 -0.69 0.00 0.00 174.62 174.08 1j9k s MET 160 N -1.98 1.25 -0.21 4.92 0.23 0.61 -4.23 119.30 119.90 1j9k s MET 160 Ca 0.14 -1.64 -0.05 0.00 -1.03 0.00 0.00 55.69 53.11 1j9k s MET 160 Cb -0.10 -0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 32.87 1j9k s MET 160 CO 0.06 -0.19 -0.01 -0.51 -2.03 0.00 0.00 175.02 172.34 1j9k s LEU 161 N -3.24 3.15 -0.42 0.18 1.43 -0.59 -0.35 118.68 118.83 1j9k s LEU 161 Ca 0.30 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1j9k s LEU 161 Cb 0.07 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.51 1j9k s LEU 161 CO 0.08 0.03 0.36 0.21 0.23 0.00 0.00 176.35 177.26 1j9k s ASN 162 N 1.20 6.15 -0.15 2.29 3.04 0.56 -0.90 114.94 127.13 1j9k s ASN 162 Ca 0.03 -0.86 -0.04 0.00 0.04 0.00 0.00 52.86 52.03 1j9k s ASN 162 Cb -0.15 -2.19 -0.03 0.00 -1.54 0.00 0.00 41.25 37.35 1j9k s ASN 162 CO 0.01 -0.52 -0.03 -0.63 -3.04 0.00 0.00 177.10 172.88 1j9k s ILE 163 N 1.86 3.93 -0.21 -5.21 1.01 0.17 -1.67 121.20 121.07 1j9k s ILE 163 Ca 0.08 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.39 1j9k s ILE 163 Cb -0.19 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1j9k s ILE 163 CO 0.11 0.50 -0.12 0.20 0.00 0.00 0.00 174.94 175.62 1j9k s ASN 164 N 0.32 3.64 -0.25 3.58 -0.87 -0.33 -0.55 114.94 120.47 1j9k s ASN 164 Ca -0.03 -0.99 -0.13 0.00 -1.57 0.00 0.00 52.86 50.13 1j9k s ASN 164 Cb -0.14 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.25 39.68 1j9k s ASN 164 CO 0.03 -0.13 0.30 -0.69 -2.57 0.00 0.00 177.10 174.04 1j9k s VAL 165 N 1.30 5.24 0.55 1.60 1.01 -0.09 -1.14 120.40 128.86 1j9k s VAL 165 Ca -0.02 0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 1j9k s VAL 165 Cb -0.17 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1j9k s VAL 165 CO -0.08 0.23 1.16 -2.16 0.00 0.00 0.00 175.10 174.24 1j9k s PRO 166 N 1.67 3.29 0.28 2.72 0.04 -1.26 -0.63 135.00 141.11 1j9k s PRO 166 Ca 0.13 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 1j9k s PRO 166 Cb -0.15 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1j9k s PRO 166 CO 0.09 -0.92 0.90 0.00 0.04 0.00 0.00 177.00 177.10 1j9k s ALA 167 N -1.69 3.28 0.00 8.56 0.00 -1.26 -4.76 121.76 125.89 1j9k s ALA 167 Ca 0.73 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1j9k s ALA 167 Cb -0.26 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1j9k s ALA 167 CO 0.30 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.68 1j9k n GLY 168 N 0.81 0.78 3.77 0.00 0.00 -1.26 -4.95 105.19 104.35 1j9k n GLY 168 Ca 0.00 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1j9k n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9k s GLU 169 N 0.00 4.04 -0.32 1.61 2.12 -1.26 -5.06 118.70 119.83 1j9k s GLU 169 Ca 0.00 0.05 -0.18 0.00 0.36 0.00 0.00 54.97 55.20 1j9k s GLU 169 Cb 0.00 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1j9k s GLU 169 CO 0.00 0.42 0.51 0.42 -0.54 0.00 0.00 175.26 176.07 1j9k s ILE 170 N -0.06 5.03 -0.04 -3.70 -1.09 -1.26 -4.86 121.20 115.23 1j9k s ILE 170 Ca 0.16 0.54 0.12 0.00 -2.23 0.00 0.00 60.65 59.23 1j9k s ILE 170 Cb -0.13 -3.91 -0.06 0.00 -1.58 0.00 0.00 42.46 36.78 1j9k s ILE 170 CO 0.04 -0.11 1.35 0.11 -1.23 0.00 0.00 174.94 175.11 1j9k h LYS 171 N 8.31 0.00 0.00 2.79 1.57 -1.51 -3.50 116.57 124.23 1j9k h LYS 171 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1j9k h LYS 171 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1j9k h LYS 171 CO 0.75 0.71 0.00 0.41 -0.57 0.00 0.00 179.45 180.75 1j9k n GLY 172 N 1.29 -0.86 3.13 3.86 0.00 -1.26 -5.04 105.19 106.31 1j9k n GLY 172 Ca 0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1j9k n GLY 172 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j9k s TRP 173 N -3.00 0.81 0.01 1.61 1.48 -1.26 -0.59 118.94 118.00 1j9k s TRP 173 Ca 0.00 -0.78 0.00 0.00 -1.06 0.00 0.00 56.10 54.26 1j9k s TRP 173 Cb 0.00 -0.48 -0.01 0.00 -1.16 0.00 0.00 33.47 31.83 1j9k s TRP 173 CO 0.00 -0.13 -0.02 1.03 -4.06 0.00 0.00 176.95 173.77 1j9k s ARG 174 N -3.08 0.17 -0.41 3.25 1.81 -0.09 -4.87 118.95 115.73 1j9k s ARG 174 Ca 0.04 -0.28 -0.24 0.00 -1.72 0.00 0.00 55.73 53.53 1j9k s ARG 174 Cb 0.00 -0.00 0.02 0.00 -0.45 0.00 0.00 34.95 34.52 1j9k s ARG 174 CO -0.03 -0.01 0.83 -0.06 -0.68 0.00 0.00 175.30 175.35 1j9k s PHE 175 N -0.63 3.03 0.44 -0.53 2.99 -1.26 -0.89 117.98 121.13 1j9k s PHE 175 Ca -0.06 0.40 0.07 0.00 0.00 0.00 0.00 56.93 57.34 1j9k s PHE 175 Cb -0.04 -3.63 -0.02 0.00 0.00 0.00 0.00 43.02 39.33 1j9k s PHE 175 CO -0.00 -0.90 0.32 0.95 -0.00 0.00 0.00 175.22 175.58 1j9k s THR 176 N 3.34 2.31 0.21 0.64 -4.23 0.67 -4.92 115.64 113.66 1j9k s THR 176 Ca 0.33 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.42 1j9k s THR 176 Cb -0.12 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1j9k s THR 176 CO 0.21 0.00 -0.01 0.00 -0.54 0.00 0.00 174.62 174.28 1j9k s ARG 177 N -4.09 2.34 0.31 3.99 1.70 -0.72 -4.13 118.95 118.35 1j9k s ARG 177 Ca 0.43 -1.24 -0.29 0.00 -0.47 0.00 0.00 55.73 54.15 1j9k s ARG 177 Cb -0.01 -2.27 -0.10 0.00 -0.57 0.00 0.00 34.95 32.01 1j9k s ARG 177 CO 0.25 0.42 1.35 -1.14 -1.08 0.00 0.00 175.30 175.09 1j9k s GLN 178 N -3.24 4.32 0.73 3.89 0.74 -1.26 -1.77 119.66 123.07 1j9k s GLN 178 Ca 0.29 2.25 0.00 0.00 0.05 0.00 0.00 55.36 57.95 1j9k s GLN 178 Cb -0.08 -3.08 0.14 0.00 1.10 0.00 0.00 33.01 31.08 1j9k s GLN 178 CO 0.19 -0.27 1.00 -1.54 -0.55 0.00 0.00 175.29 174.12 1j9k s SER 179 N -0.20 4.30 -0.28 6.67 1.04 -1.26 -4.81 113.70 119.16 1j9k s SER 179 Ca 0.52 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 56.59 1j9k s SER 179 Cb -0.40 0.16 0.66 0.00 0.10 0.00 0.00 66.02 66.53 1j9k s SER 179 CO 0.50 -1.91 1.66 -2.11 0.98 0.00 0.00 173.24 172.37 1j9k n ARG 180 N -2.83 3.26 -1.71 4.02 1.85 -1.26 -3.99 116.66 116.00 1j9k n ARG 180 Ca 0.16 -3.05 -0.43 0.00 -1.00 0.00 0.00 57.85 53.53 1j9k n ARG 180 Cb 0.61 -2.07 -0.02 0.00 -1.05 0.00 0.00 32.46 29.93 1j9k n ARG 180 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j9k n ARG 181 N -0.39 2.42 -2.50 2.89 0.63 -1.26 -4.69 116.66 113.76 1j9k n ARG 181 Ca 0.35 0.86 -0.05 0.00 -0.92 0.00 0.00 57.85 58.09 1j9k n ARG 181 Cb 1.21 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 31.52 1j9k n ARG 181 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j9k n ARG 182 N 2.40 0.48 -4.29 -0.14 1.85 -1.00 -1.20 116.66 114.76 1j9k n ARG 182 Ca 0.11 -1.20 -0.23 0.00 -1.00 0.00 0.00 57.85 55.53 1j9k n ARG 182 Cb 0.34 1.35 -0.13 0.00 -1.05 0.00 0.00 32.46 32.98 1j9k n ARG 182 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1j9k s TRP 183 N -5.05 1.68 -0.86 2.89 0.52 -1.26 0.06 118.94 116.92 1j9k s TRP 183 Ca 0.10 -0.42 -0.12 0.00 0.02 0.00 0.00 56.10 55.69 1j9k s TRP 183 Cb -0.02 -0.93 0.22 0.00 -1.15 0.00 0.00 33.47 31.60 1j9k s TRP 183 CO 0.07 0.17 0.79 1.21 0.02 0.00 0.00 176.95 179.22 1j9k s ASN 184 N -1.82 6.67 0.65 2.95 2.47 0.23 -4.93 114.94 121.16 1j9k s ASN 184 Ca 0.05 -2.90 -0.12 0.00 0.42 0.00 0.00 52.86 50.30 1j9k s ASN 184 Cb -0.10 -2.16 -0.01 0.00 -1.45 0.00 0.00 41.25 37.53 1j9k s ASN 184 CO 0.04 -0.49 1.05 -1.81 -3.72 0.00 0.00 177.10 172.17 1j9k s ASP 185 N 1.77 5.66 0.27 -4.21 1.01 -1.26 -2.14 116.67 117.77 1j9k s ASP 185 Ca 0.20 1.62 -0.20 0.00 0.71 0.00 0.00 52.55 54.89 1j9k s ASP 185 Cb -0.11 -2.50 0.05 0.00 1.01 0.00 0.00 42.92 41.37 1j9k s ASP 185 CO -0.08 -1.25 0.87 -0.72 0.21 0.00 0.00 175.17 174.19 1j9k s TYR 186 N -2.92 -0.00 0.06 4.23 -0.85 -0.37 -4.93 117.35 112.56 1j9k s TYR 186 Ca 0.59 -0.49 0.05 0.00 -0.52 0.00 0.00 57.07 56.69 1j9k s TYR 186 Cb -0.14 0.74 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1j9k s TYR 186 CO 0.50 -1.21 -0.14 -0.06 -1.52 0.00 0.00 175.55 173.12 1j9k s PHE 187 N -2.80 1.18 -0.20 -3.49 0.40 -1.26 -1.02 117.98 110.77 1j9k s PHE 187 Ca 0.15 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 55.95 1j9k s PHE 187 Cb -0.04 -0.67 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 1j9k s PHE 187 CO 0.07 0.04 0.15 -2.00 0.70 0.00 0.00 175.22 174.18 1j9k s GLU 188 N -1.54 4.17 0.04 0.44 2.12 -0.81 -4.91 118.70 118.21 1j9k s GLU 188 Ca -0.01 -0.20 -0.15 0.00 0.36 0.00 0.00 54.97 54.96 1j9k s GLU 188 Cb -0.09 -3.44 -0.06 0.00 0.26 0.00 0.00 34.13 30.79 1j9k s GLU 188 CO 0.02 0.25 0.46 -2.00 -0.54 0.00 0.00 175.26 173.44 1j9k s GLU 189 N 0.51 3.97 0.18 4.30 2.12 -1.26 -2.12 118.70 126.41 1j9k s GLU 189 Ca 0.09 0.47 -0.05 0.00 0.36 0.00 0.00 54.97 55.84 1j9k s GLU 189 Cb -0.12 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1j9k s GLU 189 CO -0.00 0.65 0.21 1.03 -0.54 0.00 0.00 175.26 176.60 1j9k s ARG 190 N -1.24 1.19 -0.05 4.30 0.52 -0.70 -4.99 118.95 117.97 1j9k s ARG 190 Ca 0.27 -1.41 0.05 0.00 -0.52 0.00 0.00 55.73 54.11 1j9k s ARG 190 Cb -0.17 0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.62 1j9k s ARG 190 CO 0.16 -0.41 -0.20 0.08 0.02 0.00 0.00 175.30 174.94 1j9k s VAL 191 N -4.07 1.68 1.02 3.52 1.01 -1.26 -0.41 120.40 121.90 1j9k s VAL 191 Ca 0.28 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 1j9k s VAL 191 Cb 0.05 -1.44 0.21 0.00 0.00 0.00 0.00 36.38 35.20 1j9k s VAL 191 CO 0.06 0.48 1.22 -0.94 0.00 0.00 0.00 175.10 175.92 1j9k s SER 192 N -0.01 2.54 0.27 3.32 1.04 0.12 -4.92 113.70 116.06 1j9k s SER 192 Ca -0.05 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.87 1j9k s SER 192 Cb -0.13 -0.71 0.36 0.00 0.10 0.00 0.00 66.02 65.63 1j9k s SER 192 CO 0.03 -3.11 1.79 -0.65 0.98 0.00 0.00 173.24 172.28 1j9k h PRO 193 N -1.89 0.82 -0.86 4.02 0.11 -2.01 -2.49 132.00 129.70 1j9k h PRO 193 Ca -0.46 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 65.46 1j9k h PRO 193 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1j9k h PRO 193 CO 0.42 0.78 0.00 1.97 -0.21 0.00 0.00 178.00 180.96 1j9k n PHE 194 N -4.24 0.18 -0.64 0.65 1.16 -1.26 -4.87 117.46 108.43 1j9k n PHE 194 Ca 0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1j9k n PHE 194 Cb 0.26 -0.12 0.00 0.00 -1.61 0.00 0.00 39.48 38.01 1j9k n PHE 194 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1j9k n GLY 195 N 0.12 1.46 3.77 4.97 0.00 -0.94 -5.02 105.19 109.55 1j9k n GLY 195 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1j9k n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9k s GLU 196 N -0.08 4.26 0.47 1.61 2.12 -1.26 -4.73 118.70 121.10 1j9k s GLU 196 Ca 0.00 0.66 -0.18 0.00 0.36 0.00 0.00 54.97 55.81 1j9k s GLU 196 Cb 0.00 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 30.97 1j9k s GLU 196 CO 0.00 0.40 0.95 -1.59 -0.54 0.00 0.00 175.26 174.48 1j9k s LYS 197 N -0.27 4.03 0.10 4.30 -2.85 -1.26 0.14 119.74 123.94 1j9k s LYS 197 Ca 0.29 0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 56.22 1j9k s LYS 197 Cb -0.18 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.38 1j9k s LYS 197 CO 0.16 -0.16 0.02 1.52 0.10 0.00 0.00 175.35 176.99 1j9k s TYR 198 N -2.44 0.75 -0.03 1.78 -0.85 0.45 -4.88 117.35 112.13 1j9k s TYR 198 Ca 0.59 -1.17 0.06 0.00 -0.52 0.00 0.00 57.07 56.03 1j9k s TYR 198 Cb -0.10 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.78 1j9k s TYR 198 CO 0.25 -0.46 -0.21 0.71 -1.52 0.00 0.00 175.55 174.31 1j9k s TYR 199 N -3.99 1.96 -0.23 -3.49 1.51 -1.26 -1.71 117.35 110.13 1j9k s TYR 199 Ca 0.18 -0.46 -0.06 0.00 -1.01 0.00 0.00 57.07 55.71 1j9k s TYR 199 Cb 0.08 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 1j9k s TYR 199 CO -0.02 -0.10 0.04 -1.58 -1.11 0.00 0.00 175.55 172.78 1j9k s TRP 200 N -0.30 3.08 0.02 2.71 0.23 -0.90 -4.94 118.94 118.83 1j9k s TRP 200 Ca 0.03 -0.41 -0.30 0.00 -2.03 0.00 0.00 56.10 53.38 1j9k s TRP 200 Cb -0.10 -2.17 -0.04 0.00 0.03 0.00 0.00 33.47 31.19 1j9k s TRP 200 CO 0.01 -0.28 1.15 1.41 0.96 0.00 0.00 176.95 180.19 1j9k s MET 201 N 1.31 4.44 0.36 4.98 -2.45 -1.26 -1.92 119.30 124.76 1j9k s MET 201 Ca 0.05 1.66 0.07 0.00 -1.25 0.00 0.00 55.69 56.22 1j9k s MET 201 Cb -0.15 -3.42 -0.03 0.00 1.25 0.00 0.00 34.83 32.49 1j9k s MET 201 CO 0.02 -0.25 0.26 -1.33 1.05 0.00 0.00 175.02 174.77 1j9k n MET 202 N 4.22 0.45 0.00 4.11 2.81 -0.19 -4.99 117.12 123.53 1j9k n MET 202 Ca 0.09 -3.45 0.00 0.00 -1.81 0.00 0.00 57.70 52.53 1j9k n MET 202 Cb 0.47 2.61 0.00 0.00 -0.71 0.00 0.00 33.22 35.60 1j9k n MET 202 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j9k n GLY 203 N -0.71 1.62 3.51 3.03 0.00 -1.26 -1.24 105.19 110.13 1j9k n GLY 203 Ca 0.05 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1j9k n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9k s GLU 204 N -2.00 3.00 0.49 1.61 2.02 -0.91 -4.91 118.70 118.00 1j9k s GLU 204 Ca 0.00 -0.59 -0.21 0.00 0.02 0.00 0.00 54.97 54.19 1j9k s GLU 204 Cb 0.00 -2.62 -0.07 0.00 0.10 0.00 0.00 34.13 31.54 1j9k s GLU 204 CO 0.00 0.49 1.09 0.54 0.02 0.00 0.00 175.26 177.41 1j9k s VAL 205 N -0.36 3.46 -0.20 2.63 0.11 -1.26 -0.60 120.40 124.18 1j9k s VAL 205 Ca 0.05 0.96 0.01 0.00 -2.93 0.00 0.00 61.98 60.07 1j9k s VAL 205 Cb -0.12 -3.41 0.03 0.00 -1.53 0.00 0.00 36.38 31.34 1j9k s VAL 205 CO 0.02 -0.15 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.85 1j9k s ILE 206 N -1.80 2.04 -0.40 7.04 1.01 0.11 -4.85 121.20 124.34 1j9k s ILE 206 Ca 0.68 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1j9k s ILE 206 Cb -0.21 -1.94 0.11 0.00 0.01 0.00 0.00 42.46 40.44 1j9k s ILE 206 CO 0.25 0.37 0.15 -1.61 0.00 0.00 0.00 174.94 174.11 1j9k s GLU 207 N 1.26 1.39 -0.08 2.79 2.02 -1.26 -2.38 118.70 122.44 1j9k s GLU 207 Ca 0.01 -1.91 0.17 0.00 0.02 0.00 0.00 54.97 53.27 1j9k s GLU 207 Cb -0.15 -2.77 0.36 0.00 0.10 0.00 0.00 34.13 31.67 1j9k s GLU 207 CO -0.11 -1.04 1.16 -0.40 0.02 0.00 0.00 175.26 174.90 1j9k n ASP 208 N 3.96 1.22 -4.71 -0.19 5.68 -1.26 -5.06 116.55 116.18 1j9k n ASP 208 Ca 0.04 -2.72 -0.42 0.00 -0.50 0.00 0.00 54.79 51.19 1j9k n ASP 208 Cb 0.38 -0.37 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1j9k n ASP 208 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1j9k s ASP 209 N -2.35 7.05 0.14 -1.12 1.01 -1.26 -4.91 116.67 115.22 1j9k s ASP 209 Ca 0.31 2.03 0.23 0.00 0.71 0.00 0.00 52.55 55.82 1j9k s ASP 209 Cb 0.32 -2.58 0.09 0.00 1.01 0.00 0.00 42.92 41.77 1j9k s ASP 209 CO -0.10 -0.50 1.10 -0.90 0.21 0.00 0.00 175.17 174.98 1j9k n ASP 210 N 4.09 0.72 -4.77 0.27 3.85 -1.26 -4.88 116.55 114.57 1j9k n ASP 210 Ca 0.09 0.14 -0.38 0.00 -0.71 0.00 0.00 54.79 53.94 1j9k n ASP 210 Cb 0.46 0.50 -0.03 0.00 -1.35 0.00 0.00 41.12 40.70 1j9k n ASP 210 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1j9k s ARG 211 N -3.28 4.21 0.13 0.11 0.52 -1.26 -4.97 118.95 114.41 1j9k s ARG 211 Ca 0.02 1.68 0.23 0.00 -0.52 0.00 0.00 55.73 57.14 1j9k s ARG 211 Cb 0.12 -2.71 0.14 0.00 0.52 0.00 0.00 34.95 33.02 1j9k s ARG 211 CO 0.78 -0.14 1.14 -0.25 0.02 0.00 0.00 175.30 176.85 1j9k n ASP 212 N 0.21 0.72 -1.76 0.23 8.00 -1.26 -4.25 116.55 118.43 1j9k n ASP 212 Ca 0.04 0.12 -0.09 0.00 0.71 0.00 0.00 54.79 55.57 1j9k n ASP 212 Cb 0.48 0.44 0.20 0.00 -0.02 0.00 0.00 41.12 42.22 1j9k n ASP 212 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1j9k n ASP 213 N -2.28 3.95 -4.89 -2.24 5.75 -1.26 -4.74 116.55 110.84 1j9k n ASP 213 Ca 0.02 -2.99 -0.29 0.00 -0.01 0.00 0.00 54.79 51.51 1j9k n ASP 213 Cb 0.48 -0.71 -0.03 0.00 -1.03 0.00 0.00 41.12 39.84 1j9k n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j9k s VAL 214 N -2.39 4.90 0.13 2.12 -7.23 -1.26 -1.75 120.40 114.92 1j9k s VAL 214 Ca 0.42 0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 60.58 1j9k s VAL 214 Cb 0.34 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 33.43 1j9k s VAL 214 CO 0.10 -0.48 1.53 -2.24 -0.31 0.00 0.00 175.10 173.70 1j9k h ASP 215 N 1.30 -1.86 -0.04 4.85 3.04 -1.66 -2.93 116.42 119.12 1j9k h ASP 215 Ca -0.47 0.25 0.01 0.00 -3.24 0.00 0.00 57.03 53.58 1j9k h ASP 215 Cb 1.19 0.77 -0.00 0.00 -1.04 0.00 0.00 39.33 40.25 1j9k h ASP 215 CO 0.64 -0.36 0.03 0.10 -2.04 0.00 0.00 179.24 177.61 1j9k h TYR 216 N -0.31 0.01 -0.31 4.15 -0.00 -1.96 -2.38 116.97 116.17 1j9k h TYR 216 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.69 1j9k h TYR 216 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 1j9k h TYR 216 CO -0.78 0.00 -0.33 0.87 -0.00 0.00 0.00 178.16 177.92 1j9k h LYS 217 N 0.01 0.67 -0.38 0.10 1.57 -1.85 -0.43 116.57 116.25 1j9k h LYS 217 Ca 0.02 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1j9k h LYS 217 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1j9k h LYS 217 CO -0.00 0.90 -0.09 0.00 -0.57 0.00 0.00 179.45 179.69 1j9k h ALA 218 N 1.07 0.52 -0.48 3.86 0.00 -1.41 -2.54 119.26 120.28 1j9k h ALA 218 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1j9k h ALA 218 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1j9k h ALA 218 CO 0.07 0.38 0.23 0.28 0.00 0.00 0.00 179.25 180.21 1j9k h VAL 219 N 0.53 1.19 -0.69 0.00 2.07 -1.30 -0.23 116.25 117.82 1j9k h VAL 219 Ca 0.10 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.14 1j9k h VAL 219 Cb 0.61 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1j9k h VAL 219 CO 0.04 0.21 0.46 0.03 0.02 0.00 0.00 177.57 178.33 1j9k h ARG 220 N 0.64 0.66 -0.00 1.57 3.08 -0.97 -0.26 114.38 119.09 1j9k h ARG 220 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1j9k h ARG 220 Cb 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1j9k h ARG 220 CO -0.02 0.43 0.00 0.39 -1.07 0.00 0.00 179.97 179.70 1j9k n GLU 221 N -4.48 1.00 -0.67 0.04 -0.58 -0.90 -4.87 120.64 110.18 1j9k n GLU 221 Ca 0.10 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1j9k n GLU 221 Cb 0.26 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 1j9k n GLU 221 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j9k n GLY 222 N 0.89 0.59 3.54 0.62 0.00 -0.11 -4.90 105.19 105.82 1j9k n GLY 222 Ca 0.19 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1j9k n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j9k s TYR 223 N -2.00 2.73 0.16 1.61 1.51 -0.15 -1.23 117.35 119.98 1j9k s TYR 223 Ca 0.00 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.61 1j9k s TYR 223 Cb 0.00 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.26 1j9k s TYR 223 CO 0.00 0.34 1.19 0.08 -1.11 0.00 0.00 175.55 176.05 1j9k s VAL 224 N -1.02 3.68 -0.21 0.71 1.01 0.25 -3.04 120.40 121.77 1j9k s VAL 224 Ca 0.17 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1j9k s VAL 224 Cb -0.11 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1j9k s VAL 224 CO 0.08 0.20 0.23 -0.55 0.00 0.00 0.00 175.10 175.06 1j9k s SER 225 N 0.28 6.26 -0.25 3.32 0.15 -0.29 -0.91 113.70 122.26 1j9k s SER 225 Ca 0.54 0.29 0.01 0.00 0.70 0.00 0.00 55.95 57.49 1j9k s SER 225 Cb -0.32 -2.14 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1j9k s SER 225 CO 0.35 0.06 -0.02 -0.63 1.20 0.00 0.00 173.24 174.21 1j9k s ILE 226 N 0.86 1.45 -0.19 6.45 1.01 -0.07 -1.19 121.20 129.53 1j9k s ILE 226 Ca 0.12 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.42 1j9k s ILE 226 Cb -0.13 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1j9k s ILE 226 CO 0.04 -0.23 -0.05 -0.89 0.00 0.00 0.00 174.94 173.81 1j9k s THR 227 N 1.41 3.57 -0.28 2.92 2.01 -0.67 -0.24 115.64 124.36 1j9k s THR 227 Ca -0.02 -0.45 -0.24 0.00 0.31 0.00 0.00 61.69 61.29 1j9k s THR 227 Cb -0.19 -2.59 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1j9k s THR 227 CO -0.09 0.45 0.82 -2.16 -0.69 0.00 0.00 174.62 172.96 1j9k s PRO 228 N 0.95 4.07 0.20 4.92 0.04 -1.26 -0.32 135.00 143.59 1j9k s PRO 228 Ca -0.00 0.77 0.08 0.00 0.04 0.00 0.00 61.00 61.89 1j9k s PRO 228 Cb -0.15 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 1j9k s PRO 228 CO 0.01 -0.62 -0.16 0.96 0.04 0.00 0.00 177.00 177.23 1j9k s ILE 229 N 2.95 1.81 0.12 0.56 -4.36 0.52 -4.93 121.20 117.87 1j9k s ILE 229 Ca 0.34 -2.13 -0.06 0.00 -0.26 0.00 0.00 60.65 58.55 1j9k s ILE 229 Cb -0.14 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 1j9k s ILE 229 CO 0.10 -0.49 0.16 -1.38 0.24 0.00 0.00 174.94 173.58 1j9k s HIS 230 N -2.63 0.47 0.00 1.37 -3.43 -1.26 -0.28 115.29 109.53 1j9k s HIS 230 Ca 0.21 -0.88 -0.05 0.00 -0.80 0.00 0.00 55.06 53.53 1j9k s HIS 230 Cb -0.03 -0.21 -0.23 0.00 -1.43 0.00 0.00 32.58 30.68 1j9k s HIS 230 CO 0.07 -0.58 3.34 -0.35 -2.00 0.00 0.00 174.74 175.22 1j9k n PRO 231 N -0.11 1.82 -3.86 -0.38 -0.04 -1.26 -4.75 135.00 126.42 1j9k n PRO 231 Ca -0.10 -0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 62.21 1j9k n PRO 231 Cb 0.63 -1.88 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 1j9k n PRO 231 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9k s PHE 232 N 0.98 1.86 -1.43 0.54 0.40 -1.26 -5.02 117.98 114.05 1j9k s PHE 232 Ca 0.58 -1.40 0.19 0.00 -0.60 0.00 0.00 56.93 55.69 1j9k s PHE 232 Cb 0.28 -1.36 0.59 0.00 0.51 0.00 0.00 43.02 43.04 1j9k s PHE 232 CO 0.00 -0.71 1.50 1.28 0.70 0.00 0.00 175.22 177.99 1j9k n LEU 233 N 4.82 3.98 -4.75 -0.37 4.77 -1.26 -5.02 117.00 119.17 1j9k n LEU 233 Ca -0.11 -2.17 -0.41 0.00 -0.03 0.00 0.00 56.01 53.29 1j9k n LEU 233 Cb 0.45 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1j9k n LEU 233 CO 0.16 0.87 1.15 -0.89 -1.33 0.00 0.00 177.39 177.35 1j9k s THR 234 N -1.32 2.44 -0.94 -5.08 2.01 -1.26 -4.92 115.64 106.56 1j9k s THR 234 Ca 0.44 0.37 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 1j9k s THR 234 Cb 0.25 -3.24 0.17 0.00 0.01 0.00 0.00 72.50 69.69 1j9k s THR 234 CO 0.26 0.06 1.06 0.21 -0.69 0.00 0.00 174.62 175.53 1j9k s ASN 235 N 0.34 6.76 0.26 3.53 3.84 -1.26 -4.88 114.94 123.53 1j9k s ASN 235 Ca 0.60 -2.42 -0.02 0.00 0.21 0.00 0.00 52.86 51.22 1j9k s ASN 235 Cb -0.44 -2.34 0.50 0.00 -0.55 0.00 0.00 41.25 38.43 1j9k s ASN 235 CO 0.46 -0.85 1.75 -0.33 -2.79 0.00 0.00 177.10 175.34 1j9k h GLU 236 N 8.22 0.52 -0.54 0.43 3.07 -1.98 0.06 114.58 124.36 1j9k h GLU 236 Ca 0.16 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1j9k h GLU 236 Cb 1.00 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.76 1j9k h GLU 236 CO 1.02 0.35 0.34 0.37 -1.40 0.00 0.00 179.01 179.68 1j9k h GLN 237 N 0.54 0.66 -0.43 2.33 4.15 -2.00 0.12 115.11 120.48 1j9k h GLN 237 Ca 0.44 -0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.70 1j9k h GLN 237 Cb 0.65 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1j9k h GLN 237 CO -0.38 0.44 -0.21 0.00 -1.93 0.00 0.00 178.83 176.74 1j9k h LEU 239 N 0.74 0.82 -0.02 0.00 5.85 -0.59 -0.94 115.31 121.17 1j9k h LEU 239 Ca 0.10 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1j9k h LEU 239 Cb 0.78 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1j9k h LEU 239 CO 0.06 0.69 -0.12 0.50 -0.34 0.00 0.00 178.44 179.24 1j9k h LYS 240 N 0.89 -0.19 -0.73 1.25 3.64 -0.67 -1.51 116.57 119.26 1j9k h LYS 240 Ca 0.23 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1j9k h LYS 240 Cb 0.06 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1j9k h LYS 240 CO -0.03 -0.12 0.36 -0.22 -2.27 0.00 0.00 179.45 177.16 1j9k h LYS 241 N -0.19 1.04 -0.72 1.90 3.64 -1.23 -2.10 116.57 118.91 1j9k h LYS 241 Ca 0.05 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1j9k h LYS 241 Cb 0.26 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1j9k h LYS 241 CO -0.14 0.81 0.47 -0.07 -2.27 0.00 0.00 179.45 178.25 1j9k h LEU 242 N 1.02 0.81 -1.25 5.20 3.38 -0.87 -1.74 115.31 121.85 1j9k h LEU 242 Ca 0.25 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1j9k h LEU 242 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1j9k h LEU 242 CO -0.03 0.58 -0.35 0.03 0.09 0.00 0.00 178.44 178.76 1j9k h ARG 243 N 0.96 0.04 -0.36 1.13 3.08 -1.00 0.12 114.38 118.34 1j9k h ARG 243 Ca 0.27 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 60.16 1j9k h ARG 243 Cb -0.09 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1j9k h ARG 243 CO -0.07 0.39 -0.33 0.93 -1.07 0.00 0.00 179.97 179.82 1j9k h GLU 244 N 0.04 0.86 0.03 0.04 5.08 -0.67 -2.13 114.58 117.82 1j9k h GLU 244 Ca 0.00 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 57.82 1j9k h GLU 244 Cb 0.64 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1j9k h GLU 244 CO 0.05 1.09 -0.40 0.28 -1.00 0.00 0.00 179.01 179.03 1j9k h VAL 245 N 0.66 1.55 -0.39 3.13 2.07 -1.08 -3.34 116.25 118.86 1j9k h VAL 245 Ca 0.06 -2.15 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 1j9k h VAL 245 Cb 0.91 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1j9k h VAL 245 CO 0.08 0.59 0.02 -1.22 0.02 0.00 0.00 177.57 177.07 1j9k n TYR 246 N -4.39 1.40 0.00 1.57 4.02 0.40 -5.11 117.16 115.05 1j9k n TYR 246 Ca -0.11 -0.52 0.00 0.00 -0.01 0.00 0.00 57.90 57.27 1j9k n TYR 246 Cb 0.60 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 1j9k n TYR 246 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45