#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j9k s GLN 2 N 0.00 3.61 -0.18 0.54 0.74 -1.26 -5.10 119.66 118.01 2j9k s GLN 2 Ca 0.00 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.89 2j9k s GLN 2 Cb 0.00 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 31.09 2j9k s GLN 2 CO 0.00 0.04 -0.19 0.42 -0.55 0.00 0.00 175.29 175.00 2j9k s ILE 3 N 0.92 2.00 0.79 -2.34 1.01 -1.26 -5.12 121.20 117.20 2j9k s ILE 3 Ca 0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 2j9k s ILE 3 Cb -0.14 -1.81 0.12 0.00 0.01 0.00 0.00 42.46 40.63 2j9k s ILE 3 CO 0.02 0.53 1.11 0.42 0.00 0.00 0.00 174.94 177.02 2j9k s THR 4 N 1.31 2.15 -0.09 2.92 -4.23 -1.26 -5.04 115.64 111.41 2j9k s THR 4 Ca 0.05 -0.25 0.13 0.00 -1.18 0.00 0.00 61.69 60.43 2j9k s THR 4 Cb -0.13 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 71.01 2j9k s THR 4 CO -0.13 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.22 2j9k n LEU 5 N -3.17 2.13 0.19 4.79 4.77 -1.26 -4.60 117.00 119.85 2j9k n LEU 5 Ca 0.12 -2.66 0.05 0.00 -0.03 0.00 0.00 56.01 53.49 2j9k n LEU 5 Cb 0.60 -0.28 0.49 0.00 -2.33 0.00 0.00 43.42 41.90 2j9k n LEU 5 CO 0.48 0.62 0.95 -0.50 -1.33 0.00 0.00 177.39 177.61 2j9k h TRP 6 N 0.00 0.09 -2.13 -1.77 4.06 -2.07 -3.43 115.95 110.71 2j9k h TRP 6 Ca 0.00 -0.01 -0.58 0.00 2.06 0.00 0.00 58.89 60.36 2j9k h TRP 6 Cb 0.87 -0.03 -0.11 0.00 -1.00 0.00 0.00 29.16 28.89 2j9k h TRP 6 CO 0.00 0.20 -0.67 0.15 -3.56 0.00 0.00 178.44 174.57 2j9k s LYS 7 N -4.80 2.06 0.23 0.49 1.02 -1.26 -5.10 119.74 112.38 2j9k s LYS 7 Ca -0.05 -1.60 -0.32 0.00 0.02 0.00 0.00 55.97 54.02 2j9k s LYS 7 Cb 0.16 -1.99 -0.13 0.00 -0.52 0.00 0.00 37.83 35.35 2j9k s LYS 7 CO 0.70 0.30 1.47 0.54 -0.92 0.00 0.00 175.35 177.44 2j9k n ARG 8 N -0.83 2.16 -1.79 1.68 1.74 -1.26 -4.86 116.66 113.49 2j9k n ARG 8 Ca -0.05 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 2j9k n ARG 8 Cb 0.60 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 2j9k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2j9k n PRO 9 N 2.35 2.88 -3.26 5.56 -0.04 -1.26 -4.93 135.00 136.30 2j9k n PRO 9 Ca 0.12 -2.66 -0.38 0.00 -0.04 0.00 0.00 63.50 60.54 2j9k n PRO 9 Cb 0.32 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 2j9k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2j9k s LEU 10 N 2.28 4.39 0.19 1.53 1.43 -1.26 -1.15 118.68 126.09 2j9k s LEU 10 Ca 0.47 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2j9k s LEU 10 Cb 0.13 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.47 2j9k s LEU 10 CO -0.08 0.10 0.01 0.68 0.23 0.00 0.00 176.35 177.29 2j9k s VAL 11 N -0.08 0.68 0.01 -1.59 -7.23 -0.19 -4.95 120.40 107.06 2j9k s VAL 11 Ca 0.29 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 2j9k s VAL 11 Cb -0.17 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 2j9k s VAL 11 CO 0.15 -0.41 0.57 -0.89 -0.31 0.00 0.00 175.10 174.21 2j9k s THR 12 N -3.65 4.88 0.26 5.32 2.01 -1.26 -0.84 115.64 122.35 2j9k s THR 12 Ca 0.26 1.21 0.11 0.00 0.31 0.00 0.00 61.69 63.57 2j9k s THR 12 Cb 0.06 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2j9k s THR 12 CO 0.05 0.46 -0.19 0.27 -0.69 0.00 0.00 174.62 174.53 2j9k s ILE 13 N -0.47 2.31 -0.08 1.82 -4.36 0.74 -4.66 121.20 116.50 2j9k s ILE 13 Ca 0.30 -2.36 0.05 0.00 -0.26 0.00 0.00 60.65 58.37 2j9k s ILE 13 Cb -0.18 -2.24 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 2j9k s ILE 13 CO 0.17 -0.44 -0.23 -0.60 0.24 0.00 0.00 174.94 174.08 2j9k s ARG 14 N -3.54 2.76 -0.13 0.37 3.52 -0.28 -1.25 118.95 120.41 2j9k s ARG 14 Ca 0.28 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 54.95 2j9k s ARG 14 Cb -0.04 -2.25 0.05 0.00 -1.56 0.00 0.00 34.95 31.15 2j9k s ARG 14 CO 0.13 0.32 0.29 -1.50 -0.81 0.00 0.00 175.30 173.73 2j9k s ILE 15 N 0.00 -0.11 -1.64 4.11 2.07 -0.15 -1.17 121.20 124.30 2j9k s ILE 15 Ca -0.08 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 2j9k s ILE 15 Cb -0.15 -0.45 0.00 0.00 0.13 0.00 0.00 42.46 41.99 2j9k s ILE 15 CO 0.05 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2j9k n GLY 16 N 4.43 0.98 2.31 1.50 0.00 -1.26 -1.19 105.19 111.96 2j9k n GLY 16 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2j9k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j9k n GLY 17 N -0.97 1.93 3.71 -0.02 0.00 -1.26 -5.04 105.19 103.54 2j9k n GLY 17 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2j9k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j9k s GLN 18 N -0.23 2.63 0.06 1.61 -1.52 -0.33 -5.10 119.66 116.78 2j9k s GLN 18 Ca 0.00 -0.83 -0.20 0.00 -1.95 0.00 0.00 55.36 52.38 2j9k s GLN 18 Cb 0.00 -2.57 -0.06 0.00 -0.22 0.00 0.00 33.01 30.15 2j9k s GLN 18 CO 0.00 0.54 0.60 -0.51 -0.25 0.00 0.00 175.29 175.66 2j9k s LEU 19 N -2.41 4.51 0.08 2.90 1.02 -1.26 -0.98 118.68 122.54 2j9k s LEU 19 Ca 0.27 1.28 -0.03 0.00 0.02 0.00 0.00 54.13 55.67 2j9k s LEU 19 Cb -0.12 -2.94 -0.03 0.00 0.02 0.00 0.00 46.19 43.12 2j9k s LEU 19 CO 0.19 0.23 0.05 -0.54 0.02 0.00 0.00 176.35 176.30 2j9k s LYS 20 N -0.89 0.74 -0.12 1.70 1.02 -0.38 -4.99 119.74 116.83 2j9k s LYS 20 Ca 0.30 -1.21 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 2j9k s LYS 20 Cb -0.20 0.25 -0.04 0.00 -0.52 0.00 0.00 37.83 37.33 2j9k s LYS 20 CO 0.19 -0.19 0.13 -2.00 -0.92 0.00 0.00 175.35 172.56 2j9k s GLU 21 N -3.94 3.41 0.03 1.68 2.12 -1.26 -0.19 118.70 120.56 2j9k s GLU 21 Ca 0.10 -0.16 -0.11 0.00 0.36 0.00 0.00 54.97 55.17 2j9k s GLU 21 Cb 0.07 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.31 2j9k s GLU 21 CO -0.07 0.76 0.24 0.00 -0.54 0.00 0.00 175.26 175.64 2j9k s ALA 22 N -0.99 -0.51 -0.21 6.30 0.00 -0.02 -4.55 121.76 121.79 2j9k s ALA 22 Ca 0.15 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 2j9k s ALA 22 Cb -0.12 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2j9k s ALA 22 CO 0.04 -0.34 0.39 -1.17 0.00 0.00 0.00 175.76 174.67 2j9k s LEU 23 N -1.90 4.14 -0.33 0.00 2.96 0.54 -1.02 118.68 123.08 2j9k s LEU 23 Ca -0.07 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.04 2j9k s LEU 23 Cb -0.02 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.17 2j9k s LEU 23 CO -0.02 -0.08 1.44 -0.76 -1.32 0.00 0.00 176.35 175.60 2j9k s LEU 24 N 1.37 3.74 -0.37 -0.68 1.43 -0.30 -0.68 118.68 123.18 2j9k s LEU 24 Ca 0.18 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 2j9k s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2j9k s LEU 24 CO 0.08 -1.30 0.12 -0.62 0.23 0.00 0.00 176.35 174.86 2j9k s ASP 25 N 3.74 4.32 0.58 2.29 -1.08 -0.07 -4.79 116.67 121.65 2j9k s ASP 25 Ca 0.63 -2.18 0.36 0.00 -0.52 0.00 0.00 52.55 50.83 2j9k s ASP 25 Cb -0.17 -1.31 1.72 0.00 -1.46 0.00 0.00 42.92 41.70 2j9k s ASP 25 CO 0.29 -0.35 2.12 0.71 0.52 0.00 0.00 175.17 178.46 2j9k h THR 26 N 6.23 0.12 -0.08 1.71 1.35 -1.94 -2.21 112.91 118.09 2j9k h THR 26 Ca -0.07 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2j9k h THR 26 Cb 0.99 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2j9k h THR 26 CO 0.52 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2j9k n GLY 27 N -0.45 -0.43 3.47 5.82 0.00 -1.26 -4.82 105.19 107.52 2j9k n GLY 27 Ca -0.01 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2j9k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j9k s ALA 28 N -1.90 3.00 0.18 4.61 0.00 -0.83 -5.00 121.76 121.81 2j9k s ALA 28 Ca 0.28 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.26 2j9k s ALA 28 Cb 0.14 -1.62 0.06 0.00 0.00 0.00 0.00 23.12 21.69 2j9k s ALA 28 CO 0.22 0.08 1.61 -0.44 0.00 0.00 0.00 175.76 177.23 2j9k h ASP 29 N 6.99 1.04 -1.64 0.00 3.32 -1.87 0.57 116.42 124.82 2j9k h ASP 29 Ca -0.33 -0.33 -0.62 0.00 0.02 0.00 0.00 57.03 55.77 2j9k h ASP 29 Cb 1.19 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.32 2j9k h ASP 29 CO 0.62 1.13 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.87 2j9k s ASP 30 N -6.64 3.78 -0.20 6.45 1.01 -1.26 -2.03 116.67 117.78 2j9k s ASP 30 Ca -0.11 -1.41 -0.07 0.00 0.71 0.00 0.00 52.55 51.66 2j9k s ASP 30 Cb 0.13 -0.25 -0.04 0.00 1.01 0.00 0.00 42.92 43.78 2j9k s ASP 30 CO 0.86 -0.52 0.06 -0.89 0.21 0.00 0.00 175.17 174.90 2j9k s THR 31 N -2.78 4.66 -0.10 -1.27 2.01 -1.26 -2.97 115.64 113.92 2j9k s THR 31 Ca 0.31 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.23 2j9k s THR 31 Cb 0.09 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.50 2j9k s THR 31 CO 0.16 0.43 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.77 2j9k s VAL 32 N 0.70 0.86 0.07 3.82 1.01 -0.38 -0.90 120.40 125.58 2j9k s VAL 32 Ca 0.03 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.89 2j9k s VAL 32 Cb -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2j9k s VAL 32 CO 0.02 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.69 2j9k s ILE 33 N 1.78 3.14 0.77 2.22 -1.09 0.68 -0.29 121.20 128.41 2j9k s ILE 33 Ca 0.05 -1.19 -0.15 0.00 -2.23 0.00 0.00 60.65 57.13 2j9k s ILE 33 Cb -0.12 -2.40 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 2j9k s ILE 33 CO -0.07 0.24 0.75 -1.84 -1.23 0.00 0.00 174.94 172.78 2j9k n GLU 34 N 1.16 0.24 -1.63 2.79 0.28 -1.25 -1.11 120.64 121.11 2j9k n GLU 34 Ca -0.15 0.13 -0.46 0.00 -0.16 0.00 0.00 57.16 56.52 2j9k n GLU 34 Cb 0.52 -2.05 -0.03 0.00 1.43 0.00 0.00 31.44 31.32 2j9k n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2j9k n GLU 35 N -1.64 1.64 -3.73 3.44 1.02 -1.17 -4.49 120.64 115.71 2j9k n GLU 35 Ca 0.11 0.58 -0.34 0.00 -0.02 0.00 0.00 57.16 57.49 2j9k n GLU 35 Cb 0.50 -2.16 -0.05 0.00 -0.02 0.00 0.00 31.44 29.71 2j9k n GLU 35 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2j9k s ASN 37 N 0.13 6.51 0.03 1.62 0.02 -1.26 -5.01 114.94 116.98 2j9k s ASN 37 Ca 0.70 0.58 0.03 0.00 -1.02 0.00 0.00 52.86 53.14 2j9k s ASN 37 Cb -0.74 -2.09 -0.02 0.00 0.02 0.00 0.00 41.25 38.42 2j9k s ASN 37 CO 0.51 0.20 -0.09 -0.76 0.02 0.00 0.00 177.10 176.99 2j9k s LEU 38 N -1.97 2.18 0.47 0.60 1.43 -1.26 -5.02 118.68 115.12 2j9k s LEU 38 Ca 0.31 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 2j9k s LEU 38 Cb -0.13 -0.28 -0.07 0.00 0.03 0.00 0.00 46.19 45.74 2j9k s LEU 38 CO 0.19 -0.09 1.34 -2.84 0.23 0.00 0.00 176.35 175.17 2j9k s PRO 39 N -1.17 3.58 0.92 1.29 0.02 -1.26 -5.04 135.00 133.34 2j9k s PRO 39 Ca -0.05 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.18 2j9k s PRO 39 Cb -0.08 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2j9k s PRO 39 CO 0.00 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.26 2j9k n GLY 40 N 0.63 1.01 3.58 0.52 0.00 -1.26 -5.02 105.19 104.65 2j9k n GLY 40 Ca 0.07 -1.15 0.02 0.00 0.00 0.00 0.00 46.02 44.96 2j9k n GLY 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2j9k s TRP 42 N 0.00 -0.00 0.05 1.61 1.48 -1.26 -5.12 118.94 115.70 2j9k s TRP 42 Ca 0.00 -0.00 0.02 0.00 -1.06 0.00 0.00 56.10 55.06 2j9k s TRP 42 Cb 0.00 0.50 -0.03 0.00 -1.16 0.00 0.00 33.47 32.78 2j9k s TRP 42 CO 0.00 -0.00 -0.08 -1.59 -4.06 0.00 0.00 176.95 171.21 2j9k s LYS 43 N -2.01 0.61 0.46 3.25 -2.85 -0.78 -4.90 119.74 113.52 2j9k s LYS 43 Ca 0.14 -0.87 -0.24 0.00 -1.00 0.00 0.00 55.97 54.00 2j9k s LYS 43 Cb 0.06 -0.33 -0.07 0.00 -2.06 0.00 0.00 37.83 35.42 2j9k s LYS 43 CO -0.06 0.05 1.23 -2.14 0.10 0.00 0.00 175.35 174.53 2j9k s PRO 44 N -1.97 3.71 0.00 1.78 0.02 -1.26 -0.59 135.00 136.68 2j9k s PRO 44 Ca -0.06 1.94 0.00 0.00 0.02 0.00 0.00 61.00 62.91 2j9k s PRO 44 Cb -0.07 -2.47 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2j9k s PRO 44 CO -0.00 -0.64 0.00 1.17 -0.33 0.00 0.00 177.00 177.20 2j9k n LYS 45 N -0.41 0.00 0.00 5.54 4.81 -0.67 -4.85 118.16 122.58 2j9k n LYS 45 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 2j9k n LYS 45 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 2j9k n LYS 45 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2j9k n ILE 47 N 0.00 0.00 -4.34 3.15 -5.35 -0.54 -1.04 119.36 111.24 2j9k n ILE 47 Ca 0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.26 2j9k n ILE 47 Cb 0.00 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 37.79 2j9k n ILE 47 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2j9k s GLY 48 N 0.00 1.42 0.00 3.28 0.00 -1.26 -0.98 107.32 109.77 2j9k s GLY 48 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2j9k s GLY 48 CO 0.00 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.15 2j9k n GLY 49 N 0.25 4.59 0.31 0.20 0.00 -0.13 -4.98 105.19 105.42 2j9k n GLY 49 Ca -0.13 -1.37 0.05 0.00 0.00 0.00 0.00 46.02 44.57 2j9k n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2j9k h ILE 50 N 0.22 1.09 -0.01 -0.61 6.09 -2.02 -2.85 117.51 119.42 2j9k h ILE 50 Ca 0.00 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 2j9k h ILE 50 Cb 0.00 0.51 0.00 0.00 0.47 0.00 0.00 36.82 37.80 2j9k h ILE 50 CO 0.00 0.10 -0.41 0.61 -3.07 0.00 0.00 178.15 175.37 2j9k n GLY 51 N -1.48 -0.14 0.00 8.18 0.00 -1.26 -5.09 105.19 105.40 2j9k n GLY 51 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2j9k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j9k n GLY 52 N 1.40 0.56 3.71 -0.02 0.00 -1.08 -5.12 105.19 104.65 2j9k n GLY 52 Ca 0.10 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 2j9k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2j9k s PHE 53 N -1.41 3.08 0.12 1.61 0.40 -1.26 -0.96 117.98 119.57 2j9k s PHE 53 Ca 0.00 0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.43 2j9k s PHE 53 Cb 0.00 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2j9k s PHE 53 CO 0.00 0.49 -0.11 0.96 0.70 0.00 0.00 175.22 177.26 2j9k s ILE 54 N -1.23 1.10 0.05 0.64 -4.36 -0.15 -4.98 121.20 112.28 2j9k s ILE 54 Ca 0.24 -1.80 -0.23 0.00 -0.26 0.00 0.00 60.65 58.60 2j9k s ILE 54 Cb -0.12 -1.56 -0.06 0.00 1.25 0.00 0.00 42.46 41.97 2j9k s ILE 54 CO 0.15 -0.59 0.69 -0.54 0.24 0.00 0.00 174.94 174.89 2j9k s LYS 55 N -3.09 4.41 0.20 0.37 1.02 -1.26 -1.47 119.74 119.92 2j9k s LYS 55 Ca 0.10 0.93 0.01 0.00 0.02 0.00 0.00 55.97 57.03 2j9k s LYS 55 Cb -0.01 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2j9k s LYS 55 CO 0.01 0.41 0.05 0.14 -0.92 0.00 0.00 175.35 175.03 2j9k s VAL 56 N -0.42 0.54 -0.23 3.17 -7.23 -0.20 -4.45 120.40 111.56 2j9k s VAL 56 Ca 0.34 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 2j9k s VAL 56 Cb -0.20 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2j9k s VAL 56 CO 0.21 -0.28 0.19 -0.13 -0.31 0.00 0.00 175.10 174.78 2j9k s ARG 57 N -3.98 4.09 -0.37 4.82 0.52 0.12 -1.67 118.95 122.48 2j9k s ARG 57 Ca 0.30 -0.21 -0.17 0.00 -0.52 0.00 0.00 55.73 55.13 2j9k s ARG 57 Cb 0.07 -3.54 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 2j9k s ARG 57 CO 0.08 0.06 0.43 -1.14 0.02 0.00 0.00 175.30 174.74 2j9k s GLN 58 N 1.07 3.46 -0.17 3.54 0.74 0.24 -0.59 119.66 127.96 2j9k s GLN 58 Ca 0.09 -0.43 -0.06 0.00 0.05 0.00 0.00 55.36 55.01 2j9k s GLN 58 Cb -0.14 -3.85 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 2j9k s GLN 58 CO 0.05 -0.65 0.04 0.71 -0.55 0.00 0.00 175.29 174.89 2j9k s TYR 59 N 2.17 3.21 0.16 1.67 1.51 -0.24 -1.86 117.35 123.96 2j9k s TYR 59 Ca 0.14 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 2j9k s TYR 59 Cb -0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2j9k s TYR 59 CO 0.13 0.17 0.27 -0.51 -1.11 0.00 0.00 175.55 174.49 2j9k s ASP 60 N 0.20 6.20 -1.28 2.29 1.01 -1.26 -1.04 116.67 122.79 2j9k s ASP 60 Ca 0.03 0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.40 2j9k s ASP 60 Cb -0.13 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.98 2j9k s ASP 60 CO 0.01 0.04 0.77 0.00 0.21 0.00 0.00 175.17 176.21 2j9k n GLN 61 N -0.60 -5.34 -3.51 8.23 1.13 -1.14 -4.89 117.38 111.26 2j9k n GLN 61 Ca -0.07 0.68 -0.38 0.00 -1.94 0.00 0.00 57.00 55.29 2j9k n GLN 61 Cb 0.54 -5.35 -0.09 0.00 0.11 0.00 0.00 30.24 25.46 2j9k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2j9k s ILE 62 N -3.59 5.27 0.16 5.09 -1.09 0.30 -4.69 121.20 122.64 2j9k s ILE 62 Ca 0.00 0.45 -0.31 0.00 -2.23 0.00 0.00 60.65 58.57 2j9k s ILE 62 Cb -0.00 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.17 2j9k s ILE 62 CO 0.79 0.28 1.38 -2.84 -1.23 0.00 0.00 174.94 173.32 2j9k s PRO 63 N 1.30 4.33 -0.04 2.79 0.02 -1.26 -1.50 135.00 140.65 2j9k s PRO 63 Ca 0.13 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.28 2j9k s PRO 63 Cb -0.14 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.19 2j9k s PRO 63 CO 0.07 -0.38 -0.04 0.08 -0.33 0.00 0.00 177.00 176.40 2j9k s VAL 64 N 0.63 0.44 -0.25 3.83 1.01 -0.07 -4.42 120.40 121.56 2j9k s VAL 64 Ca 0.62 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 2j9k s VAL 64 Cb -0.38 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2j9k s VAL 64 CO 0.35 0.19 0.11 -0.70 0.00 0.00 0.00 175.10 175.05 2j9k s GLU 65 N 0.81 3.80 -0.22 2.72 2.12 -0.32 -1.08 118.70 126.54 2j9k s GLU 65 Ca -0.10 -0.40 0.12 0.00 0.36 0.00 0.00 54.97 54.95 2j9k s GLU 65 Cb -0.13 -3.44 0.44 0.00 0.26 0.00 0.00 34.13 31.26 2j9k s GLU 65 CO -0.00 -0.13 1.31 -0.89 -0.54 0.00 0.00 175.26 175.00 2j9k n ILE 66 N 4.82 2.28 0.00 -3.70 5.41 -1.26 -1.12 119.36 125.78 2j9k n ILE 66 Ca -0.15 -2.80 0.00 0.00 1.00 0.00 0.00 62.75 60.79 2j9k n ILE 66 Cb 0.52 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 2j9k n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2j9k n GLY 68 N -1.12 0.00 3.63 7.39 0.00 -1.26 -4.76 105.19 109.07 2j9k n GLY 68 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2j9k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2j9k s HIS 69 N 0.00 3.13 0.15 1.61 4.02 -1.26 -5.10 115.29 117.84 2j9k s HIS 69 Ca 0.00 0.05 -0.22 0.00 1.02 0.00 0.00 55.06 55.91 2j9k s HIS 69 Cb 0.00 -1.87 -0.08 0.00 -1.02 0.00 0.00 32.58 29.61 2j9k s HIS 69 CO 0.00 0.29 0.69 0.15 1.02 0.00 0.00 174.74 176.89 2j9k s LYS 70 N -0.39 4.35 0.04 1.40 1.02 -1.26 -4.35 119.74 120.55 2j9k s LYS 70 Ca 0.07 0.93 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 2j9k s LYS 70 Cb -0.12 -3.15 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2j9k s LYS 70 CO 0.02 0.55 -0.03 0.00 -0.92 0.00 0.00 175.35 174.97 2j9k s ALA 71 N -1.24 0.34 -0.13 5.17 0.00 -0.24 -4.60 121.76 121.06 2j9k s ALA 71 Ca 0.36 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.32 2j9k s ALA 71 Cb -0.20 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.20 2j9k s ALA 71 CO 0.22 -0.29 0.12 0.42 0.00 0.00 0.00 175.76 176.23 2j9k s ILE 72 N -2.96 -0.17 0.00 0.00 1.01 -1.26 -0.89 121.20 116.93 2j9k s ILE 72 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2j9k s ILE 72 Cb 0.01 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.03 2j9k s ILE 72 CO -0.06 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.39 2j9k n GLY 73 N 5.30 1.30 3.74 6.18 0.00 -0.56 -4.78 105.19 116.37 2j9k n GLY 73 Ca -0.05 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 2j9k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j9k s THR 74 N -2.34 3.85 -0.10 2.61 2.01 -1.26 -0.54 115.64 119.87 2j9k s THR 74 Ca 0.00 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.59 2j9k s THR 74 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.52 2j9k s THR 74 CO 0.00 0.27 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.39 2j9k s VAL 75 N -0.19 1.26 -0.09 3.82 1.01 -0.20 -4.47 120.40 121.55 2j9k s VAL 75 Ca 0.50 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 2j9k s VAL 75 Cb -0.30 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 2j9k s VAL 75 CO 0.35 0.40 0.34 -0.76 0.00 0.00 0.00 175.10 175.42 2j9k s LEU 76 N 1.17 4.36 -0.12 3.92 1.43 -0.08 -1.08 118.68 128.28 2j9k s LEU 76 Ca -0.04 0.72 0.03 0.00 -1.03 0.00 0.00 54.13 53.81 2j9k s LEU 76 Cb -0.14 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.63 2j9k s LEU 76 CO -0.03 0.22 -0.22 -0.69 0.23 0.00 0.00 176.35 175.87 2j9k s VAL 77 N -0.35 1.98 -0.98 -1.59 1.01 0.25 -0.23 120.40 120.49 2j9k s VAL 77 Ca 0.20 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2j9k s VAL 77 Cb -0.15 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2j9k s VAL 77 CO 0.08 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.33 2j9k n GLY 78 N 3.91 -1.27 2.22 4.51 0.00 -0.27 -0.70 105.19 113.59 2j9k n GLY 78 Ca -0.20 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 2j9k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2j9k n PRO 79 N -0.00 2.66 -2.62 1.61 -0.04 -1.26 -3.04 135.00 132.30 2j9k n PRO 79 Ca 0.00 -1.52 -0.37 0.00 -0.04 0.00 0.00 63.50 61.56 2j9k n PRO 79 Cb 0.00 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.04 2j9k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2j9k s THR 80 N 1.84 3.87 0.36 0.52 -1.32 -1.26 -4.94 115.64 114.70 2j9k s THR 80 Ca 0.63 1.56 0.26 0.00 -1.21 0.00 0.00 61.69 62.93 2j9k s THR 80 Cb 0.22 -3.87 0.28 0.00 -1.51 0.00 0.00 72.50 67.62 2j9k s THR 80 CO -0.03 0.13 2.02 1.55 -2.21 0.00 0.00 174.62 176.08 2j9k h PRO 81 N 3.02 0.00 -3.36 7.08 0.13 -1.98 -3.44 132.00 133.44 2j9k h PRO 81 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2j9k h PRO 81 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 2j9k h PRO 81 CO 0.64 0.14 -0.52 0.14 -0.23 0.00 0.00 178.00 178.17 2j9k s VAL 82 N -4.09 0.01 0.10 1.56 -7.23 -1.26 -5.10 120.40 104.40 2j9k s VAL 82 Ca -0.02 -0.09 -0.31 0.00 -1.81 0.00 0.00 61.98 59.75 2j9k s VAL 82 Cb 0.13 -0.26 -0.09 0.00 0.56 0.00 0.00 36.38 36.72 2j9k s VAL 82 CO 0.60 -0.05 1.61 0.20 -0.31 0.00 0.00 175.10 177.14 2j9k s ASN 83 N -0.10 6.61 -0.02 4.85 0.01 -1.26 -4.81 114.94 120.22 2j9k s ASN 83 Ca -0.02 2.52 0.04 0.00 -0.71 0.00 0.00 52.86 54.69 2j9k s ASN 83 Cb -0.02 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 2j9k s ASN 83 CO 0.00 -0.85 -0.14 0.27 -1.51 0.00 0.00 177.10 174.87 2j9k s ILE 84 N 2.02 1.13 -0.34 0.60 -4.36 0.61 -0.34 121.20 120.53 2j9k s ILE 84 Ca 0.72 -0.60 -0.13 0.00 -0.26 0.00 0.00 60.65 60.38 2j9k s ILE 84 Cb -0.41 -0.95 -0.02 0.00 1.25 0.00 0.00 42.46 42.33 2j9k s ILE 84 CO 0.32 0.32 0.25 -0.63 0.24 0.00 0.00 174.94 175.44 2j9k s ILE 85 N -0.25 5.28 0.38 8.37 -1.09 0.14 -1.25 121.20 132.78 2j9k s ILE 85 Ca 0.04 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 2j9k s ILE 85 Cb -0.06 -3.71 0.06 0.00 -1.58 0.00 0.00 42.46 37.17 2j9k s ILE 85 CO -0.00 0.00 0.53 0.61 -1.23 0.00 0.00 174.94 174.85 2j9k n GLY 86 N 5.09 1.91 0.26 6.18 0.00 -1.16 -0.89 105.19 116.57 2j9k n GLY 86 Ca -0.12 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 43.82 2j9k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j9k h ARG 87 N 0.00 0.00 -0.33 1.61 3.08 -0.78 -0.28 114.38 117.69 2j9k h ARG 87 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 2j9k h ARG 87 Cb 0.81 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2j9k h ARG 87 CO 0.25 0.11 0.15 -2.95 -1.07 0.00 0.00 179.97 176.46 2j9k h ASN 88 N 0.00 0.40 0.15 7.04 -1.07 -1.67 -1.60 115.58 118.82 2j9k h ASN 88 Ca -0.00 -0.03 -0.35 0.00 0.07 0.00 0.00 56.30 55.99 2j9k h ASN 88 Cb 0.25 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 36.34 2j9k h ASN 88 CO 0.01 0.35 -2.19 0.18 0.07 0.00 0.00 177.43 175.85 2j9k n LEU 89 N -4.43 0.37 -0.32 6.14 4.77 -0.74 -4.18 117.00 118.62 2j9k n LEU 89 Ca 0.02 0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 2j9k n LEU 89 Cb 0.12 0.34 0.16 0.00 -2.33 0.00 0.00 43.42 41.71 2j9k n LEU 89 CO 0.36 0.48 1.27 -0.07 -1.33 0.00 0.00 177.39 178.10 2j9k h LEU 90 N 0.00 1.05 -1.12 2.23 3.38 -0.91 -1.66 115.31 118.28 2j9k h LEU 90 Ca -0.47 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 2j9k h LEU 90 Cb 2.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2j9k h LEU 90 CO 0.04 0.77 0.08 0.71 0.09 0.00 0.00 178.44 180.13 2j9k h THR 91 N 1.23 1.21 -0.40 0.22 1.35 -1.49 -2.74 112.91 112.29 2j9k h THR 91 Ca 0.33 -0.78 -0.07 0.00 -0.55 0.00 0.00 66.41 65.33 2j9k h THR 91 Cb -0.13 0.78 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 2j9k h THR 91 CO -0.07 0.28 -0.06 1.56 -0.25 0.00 0.00 175.52 176.98 2j9k h GLN 92 N 0.67 0.67 -0.29 4.72 4.20 -1.48 -2.51 115.11 121.09 2j9k h GLN 92 Ca 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2j9k h GLN 92 Cb 0.30 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2j9k h GLN 92 CO 0.00 0.73 0.00 0.44 -0.67 0.00 0.00 178.83 179.34 2j9k n ILE 93 N -4.21 0.38 -1.20 2.54 -5.35 -1.02 -4.96 119.36 105.55 2j9k n ILE 93 Ca 0.02 -0.48 -0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2j9k n ILE 93 Cb 0.32 0.41 -0.00 0.00 -1.74 0.00 0.00 39.64 38.63 2j9k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2j9k n GLY 94 N 1.19 -3.16 0.00 3.28 0.00 -0.95 -5.07 105.19 100.48 2j9k n GLY 94 Ca 0.16 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2j9k n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j9k n THR 96 N 0.21 0.00 -3.78 2.61 -2.24 -1.26 -5.03 114.28 104.79 2j9k n THR 96 Ca -0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2j9k n THR 96 Cb 0.01 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.18 2j9k n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2j9k s LEU 97 N 0.00 4.39 -0.02 3.22 1.43 -1.26 -5.10 118.68 121.34 2j9k s LEU 97 Ca 0.00 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2j9k s LEU 97 Cb 0.00 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.80 2j9k s LEU 97 CO 0.00 0.32 0.03 0.20 0.23 0.00 0.00 176.35 177.13 2j9k s ASN 98 N -1.39 0.01 0.00 2.29 0.01 -1.26 -5.29 114.94 109.31 2j9k s ASN 98 Ca 0.22 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.43 2j9k s ASN 98 Cb -0.13 0.00 0.00 0.00 0.41 0.00 0.00 41.25 41.53 2j9k s ASN 98 CO 0.11 -0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.86