#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5k h LEU -6 N 0.00 0.00 -7.01 0.99 3.38 -2.14 -3.43 115.31 107.11 1s5k h LEU -6 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1s5k h LEU -6 Cb 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.35 1s5k h LEU -6 CO 0.00 0.48 -0.75 -0.69 0.09 0.00 0.00 178.44 177.57 1s5k s VAL -5 N -2.98 1.26 0.28 1.22 1.01 -1.26 -5.11 120.40 114.82 1s5k s VAL -5 Ca 0.01 -2.31 -0.28 0.00 0.00 0.00 0.00 61.98 59.41 1s5k s VAL -5 Cb 0.08 -1.90 -0.14 0.00 0.00 0.00 0.00 36.38 34.42 1s5k s VAL -5 CO 0.77 -0.86 0.95 -2.65 0.00 0.00 0.00 175.10 173.31 1s5k n PRO -4 N 3.81 1.18 -4.04 2.72 -0.02 -1.26 -4.97 135.00 132.41 1s5k n PRO -4 Ca 0.07 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 1s5k n PRO -4 Cb 0.36 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 1s5k n PRO -4 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1s5k s ARG -3 N -1.48 3.16 -1.46 -0.52 0.52 -1.26 -4.57 118.95 113.34 1s5k s ARG -3 Ca 0.59 -0.45 -0.11 0.00 -0.52 0.00 0.00 55.73 55.24 1s5k s ARG -3 Cb -0.73 -2.92 0.05 0.00 0.52 0.00 0.00 34.95 31.87 1s5k s ARG -3 CO 0.59 0.65 1.05 0.41 0.02 0.00 0.00 175.30 178.02 1s5k n GLY -2 N 1.08 -0.52 0.20 -3.53 0.00 -1.26 -4.86 105.19 96.29 1s5k n GLY -2 Ca -0.12 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1s5k n GLY -2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s5k h SER -1 N -2.30 0.03 0.00 1.61 0.02 -2.00 -3.39 113.55 107.51 1s5k h SER -1 Ca -0.57 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1s5k h SER -1 Cb 1.37 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1s5k h SER -1 CO 0.62 0.34 -0.47 1.41 -1.14 0.00 0.00 176.83 177.59 1s5k n HIS 0 N -4.16 0.00 -3.97 3.45 8.25 -1.26 -4.86 115.22 112.66 1s5k n HIS 0 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1s5k n HIS 0 Cb 0.36 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.32 1s5k n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1s5k s MET 1 N -1.47 3.06 -0.06 -0.41 -2.45 -1.26 0.03 119.30 116.75 1s5k s MET 1 Ca 0.00 -0.82 0.02 0.00 -1.25 0.00 0.00 55.69 53.64 1s5k s MET 1 Cb 0.00 -2.91 0.02 0.00 1.25 0.00 0.00 34.83 33.19 1s5k s MET 1 CO 0.00 -0.29 -0.09 0.34 1.05 0.00 0.00 175.02 176.04 1s5k s ASP 2 N 1.37 1.38 -0.22 1.11 2.15 0.41 -4.31 116.67 118.57 1s5k s ASP 2 Ca 0.03 -0.22 -0.19 0.00 0.43 0.00 0.00 52.55 52.61 1s5k s ASP 2 Cb -0.15 -0.65 -0.03 0.00 -0.30 0.00 0.00 42.92 41.79 1s5k s ASP 2 CO -0.06 -0.01 0.54 -0.63 -0.17 0.00 0.00 175.17 174.84 1s5k s ILE 3 N 0.78 5.08 0.06 4.11 -1.09 -1.26 -1.41 121.20 127.46 1s5k s ILE 3 Ca -0.13 0.98 0.09 0.00 -2.23 0.00 0.00 60.65 59.36 1s5k s ILE 3 Cb -0.15 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.84 1s5k s ILE 3 CO 0.02 0.14 -0.25 -0.13 -1.23 0.00 0.00 174.94 173.49 1s5k s ARG 4 N 1.88 1.63 0.14 2.79 0.52 0.63 -4.94 118.95 121.60 1s5k s ARG 4 Ca 0.24 -1.10 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 1s5k s ARG 4 Cb -0.15 -1.84 -0.07 0.00 0.52 0.00 0.00 34.95 33.41 1s5k s ARG 4 CO 0.09 0.47 1.17 -1.14 0.02 0.00 0.00 175.30 175.91 1s5k s GLN 5 N -1.35 4.50 0.38 3.54 0.74 -1.26 -0.36 119.66 125.84 1s5k s GLN 5 Ca 0.11 1.79 -0.28 0.00 0.05 0.00 0.00 55.36 57.03 1s5k s GLN 5 Cb -0.10 -3.29 -0.11 0.00 1.10 0.00 0.00 33.01 30.62 1s5k s GLN 5 CO 0.03 -0.10 1.46 1.41 -0.55 0.00 0.00 175.29 177.54 1s5k s MET 6 N 0.16 4.10 0.38 1.67 -2.45 0.36 -4.85 119.30 118.66 1s5k s MET 6 Ca 0.54 2.52 0.06 0.00 -1.25 0.00 0.00 55.69 57.55 1s5k s MET 6 Cb -0.31 -2.95 -0.02 0.00 1.25 0.00 0.00 34.83 32.80 1s5k s MET 6 CO 0.34 -0.52 0.21 0.54 1.05 0.00 0.00 175.02 176.63 1s5k s ASN 7 N -0.22 2.35 0.50 1.11 2.20 -1.26 -4.85 114.94 114.78 1s5k s ASN 7 Ca 0.53 -1.75 0.23 0.00 -0.94 0.00 0.00 52.86 50.94 1s5k s ASN 7 Cb -0.45 0.58 1.31 0.00 -2.00 0.00 0.00 41.25 40.69 1s5k s ASN 7 CO 0.61 -1.02 1.97 0.07 -2.94 0.00 0.00 177.10 175.79 1s5k h LYS 8 N 1.91 0.11 0.00 3.55 2.10 -1.98 -1.45 116.57 120.81 1s5k h LYS 8 Ca -0.30 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 1s5k h LYS 8 Cb 1.26 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1s5k h LYS 8 CO 0.46 0.07 -0.03 1.79 -2.00 0.00 0.00 179.45 179.75 1s5k h THR 9 N 0.11 0.07 -0.00 0.07 1.35 -2.00 -2.69 112.91 109.82 1s5k h THR 9 Ca 0.30 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1s5k h THR 9 Cb 1.03 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1s5k h THR 9 CO -0.03 0.02 -0.39 1.41 -0.25 0.00 0.00 175.52 176.28 1s5k n HIS 10 N -3.13 0.00 -0.29 4.73 8.25 -0.55 -4.58 115.22 119.65 1s5k n HIS 10 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1s5k n HIS 10 Cb 0.30 -0.19 0.15 0.00 1.12 0.00 0.00 29.99 31.37 1s5k n HIS 10 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1s5k h LEU 11 N 0.55 -0.62 -0.11 2.41 3.38 -1.50 -1.56 115.31 117.85 1s5k h LEU 11 Ca 0.00 0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1s5k h LEU 11 Cb 0.50 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1s5k h LEU 11 CO 0.00 -0.26 0.00 -0.33 0.09 0.00 0.00 178.44 177.94 1s5k h GLU 12 N 0.03 0.20 -0.34 1.13 3.07 -1.84 -1.35 114.58 115.48 1s5k h GLU 12 Ca 0.43 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 59.11 1s5k h GLU 12 Cb 0.73 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1s5k h GLU 12 CO -0.82 0.45 -0.27 0.45 -1.40 0.00 0.00 179.01 177.42 1s5k h HIS 13 N -0.07 0.80 -0.19 4.33 3.86 -1.78 -0.85 115.15 121.24 1s5k h HIS 13 Ca 0.03 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1s5k h HIS 13 Cb 0.35 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1s5k h HIS 13 CO 0.03 0.89 0.12 2.35 0.86 0.00 0.00 177.93 182.18 1s5k h TRP 14 N 0.60 0.24 -0.70 2.45 7.01 -1.25 -1.37 115.95 122.93 1s5k h TRP 14 Ca 0.08 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.14 1s5k h TRP 14 Cb 0.76 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.69 1s5k h TRP 14 CO 0.04 0.16 0.41 -0.09 -2.79 0.00 0.00 178.44 176.17 1s5k h ARG 15 N 0.25 0.74 -0.83 2.65 1.12 -1.09 0.41 114.38 117.64 1s5k h ARG 15 Ca 0.07 -0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.00 1s5k h ARG 15 Cb -0.02 -0.17 -0.06 0.00 -0.01 0.00 0.00 29.97 29.72 1s5k h ARG 15 CO -0.01 0.49 0.54 0.78 -3.11 0.00 0.00 179.97 178.65 1s5k h GLY 16 N 0.76 1.12 1.10 2.80 0.00 -0.33 -1.55 103.07 106.97 1s5k h GLY 16 Ca 0.31 -0.32 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1s5k h GLY 16 CO -0.17 0.17 -1.62 1.41 0.00 0.00 0.00 176.54 176.34 1s5k h LEU 17 N 0.76 0.74 -1.75 3.11 3.38 -0.16 -3.35 115.31 118.03 1s5k h LEU 17 Ca 0.39 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1s5k h LEU 17 Cb 0.47 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1s5k h LEU 17 CO -0.16 1.75 -0.15 -0.09 0.09 0.00 0.00 178.44 179.89 1s5k h ARG 18 N 0.13 0.00 0.00 1.13 2.43 0.40 -0.15 114.38 118.32 1s5k h ARG 18 Ca -0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1s5k h ARG 18 Cb 2.14 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.69 1s5k h ARG 18 CO 0.23 0.15 -0.14 0.87 -1.51 0.00 0.00 179.97 179.57 1s5k h LYS 19 N 0.00 0.00 0.00 0.20 1.57 -1.44 0.35 116.57 117.25 1s5k h LYS 19 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1s5k h LYS 19 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1s5k h LYS 19 CO 0.02 0.14 -0.99 1.96 -0.57 0.00 0.00 179.45 180.01 1s5k h GLN 20 N 0.00 0.00 0.01 3.15 4.20 -1.18 -2.95 115.11 118.35 1s5k h GLN 20 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1s5k h GLN 20 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1s5k h GLN 20 CO 0.02 0.54 -0.21 1.25 -0.67 0.00 0.00 178.83 179.75 1s5k h LEU 21 N 0.00 0.17 -7.00 1.46 5.85 -1.11 -3.42 115.31 111.26 1s5k h LEU 21 Ca -0.08 -0.84 -0.62 0.00 0.84 0.00 0.00 57.88 57.19 1s5k h LEU 21 Cb 1.58 -0.05 -0.41 0.00 0.37 0.00 0.00 40.66 42.15 1s5k h LEU 21 CO 0.07 0.98 -0.65 0.26 -0.34 0.00 0.00 178.44 178.76 1s5k s TRP 22 N -2.88 3.02 0.52 1.25 0.51 0.12 -5.11 118.94 116.37 1s5k s TRP 22 Ca -0.17 -3.09 -0.21 0.00 -2.12 0.00 0.00 56.10 50.51 1s5k s TRP 22 Cb -0.00 -2.38 -0.06 0.00 -0.81 0.00 0.00 33.47 30.22 1s5k s TRP 22 CO 0.73 -0.63 1.20 -2.14 -0.51 0.00 0.00 176.95 175.60 1s5k s PRO 23 N -0.94 3.40 0.00 4.98 0.02 -1.11 -4.10 135.00 137.25 1s5k s PRO 23 Ca 0.24 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.10 1s5k s PRO 23 Cb -0.07 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.25 1s5k s PRO 23 CO -0.14 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 1s5k n GLY 24 N 0.46 0.69 3.50 0.52 0.00 -1.26 -5.09 105.19 104.01 1s5k n GLY 24 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1s5k n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s5k s HIS 25 N -2.00 3.00 0.79 1.61 3.76 -1.26 -5.10 115.29 116.10 1s5k s HIS 25 Ca 0.00 -0.27 -0.14 0.00 -0.15 0.00 0.00 55.06 54.50 1s5k s HIS 25 Cb 0.00 -1.91 0.07 0.00 1.11 0.00 0.00 32.58 31.84 1s5k s HIS 25 CO 0.00 0.01 1.16 -2.30 -0.85 0.00 0.00 174.74 172.76 1s5k n PRO 26 N 3.32 0.25 0.32 8.40 -0.02 -1.26 -4.82 135.00 141.19 1s5k n PRO 26 Ca -0.18 0.16 0.20 0.00 -2.02 0.00 0.00 63.50 61.66 1s5k n PRO 26 Cb 0.53 -2.40 1.07 0.00 -0.02 0.00 0.00 33.50 32.67 1s5k n PRO 26 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s5k h ASP 27 N -0.78 0.00 0.87 2.55 3.32 -2.00 -2.48 116.42 117.91 1s5k h ASP 27 Ca -0.47 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1s5k h ASP 27 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1s5k h ASP 27 CO 0.46 0.00 -0.49 0.44 -1.72 0.00 0.00 179.24 177.93 1s5k h ASP 28 N 0.00 -1.20 -0.91 6.45 3.32 -1.99 -1.96 116.42 120.12 1s5k h ASP 28 Ca 0.01 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.17 1s5k h ASP 28 Cb 0.18 0.34 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1s5k h ASP 28 CO -0.00 -0.78 0.58 0.00 -1.72 0.00 0.00 179.24 177.32 1s5k h ALA 29 N -1.21 1.24 -0.49 3.45 0.00 -1.80 0.15 119.26 120.60 1s5k h ALA 29 Ca -0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1s5k h ALA 29 Cb 0.99 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1s5k h ALA 29 CO 0.15 0.38 0.01 0.45 0.00 0.00 0.00 179.25 180.24 1s5k h HIS 30 N 1.08 0.87 -0.33 0.00 3.86 -1.47 -0.24 115.15 118.92 1s5k h HIS 30 Ca 0.39 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1s5k h HIS 30 Cb 0.12 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1s5k h HIS 30 CO -0.02 0.79 -0.07 1.25 0.86 0.00 0.00 177.93 180.75 1s5k h LEU 31 N 0.76 0.64 -0.27 2.43 5.85 -0.61 0.65 115.31 124.76 1s5k h LEU 31 Ca 0.15 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1s5k h LEU 31 Cb 0.45 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1s5k h LEU 31 CO 0.02 0.84 0.15 0.00 -0.34 0.00 0.00 178.44 179.11 1s5k h ALA 32 N 0.81 0.35 -0.57 1.25 0.00 -0.37 0.61 119.26 121.35 1s5k h ALA 32 Ca 0.09 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1s5k h ALA 32 Cb 0.56 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1s5k h ALA 32 CO 0.03 -0.11 0.19 -0.44 0.00 0.00 0.00 179.25 178.92 1s5k h ASP 33 N 0.33 0.16 -0.21 0.00 3.32 -0.84 0.24 116.42 119.42 1s5k h ASP 33 Ca 0.10 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1s5k h ASP 33 Cb 0.07 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1s5k h ASP 33 CO -0.01 0.11 0.12 1.23 -1.72 0.00 0.00 179.24 178.96 1s5k h GLY 34 N 0.36 0.31 1.09 2.75 0.00 -0.28 0.96 103.07 108.25 1s5k h GLY 34 Ca 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1s5k h GLY 34 CO -0.31 0.13 0.49 0.83 0.00 0.00 0.00 176.54 177.68 1s5k h GLU 35 N 0.25 1.20 -0.27 4.80 5.08 -0.33 -1.62 114.58 123.68 1s5k h GLU 35 Ca 0.08 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1s5k h GLU 35 Cb 0.04 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1s5k h GLU 35 CO -0.01 0.87 0.09 1.49 -1.00 0.00 0.00 179.01 180.44 1s5k h GLU 36 N 1.21 0.41 -0.35 2.33 4.57 -0.59 -1.84 114.58 120.32 1s5k h GLU 36 Ca 0.31 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1s5k h GLU 36 Cb 0.01 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1s5k h GLU 36 CO -0.05 0.48 0.16 0.82 -1.18 0.00 0.00 179.01 179.24 1s5k h ILE 37 N 0.27 0.96 -0.64 2.32 2.04 -0.57 -1.68 117.51 120.21 1s5k h ILE 37 Ca 0.09 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1s5k h ILE 37 Cb 0.23 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1s5k h ILE 37 CO -0.00 0.06 0.42 -0.07 0.00 0.00 0.00 178.15 178.56 1s5k h LEU 38 N 0.34 0.71 0.00 1.44 4.07 -1.16 -3.13 115.31 117.58 1s5k h LEU 38 Ca 0.15 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1s5k h LEU 38 Cb 0.08 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1s5k h LEU 38 CO -0.12 0.51 -0.29 0.00 -1.08 0.00 0.00 178.44 177.46 1s5k n GLN 39 N -4.66 0.07 -3.81 1.13 10.64 -0.70 -4.88 117.38 115.17 1s5k n GLN 39 Ca 0.05 0.04 -0.36 0.00 -1.83 0.00 0.00 57.00 54.90 1s5k n GLN 39 Cb 0.04 -1.56 -0.07 0.00 -0.86 0.00 0.00 30.24 27.79 1s5k n GLN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s5k s ALA 40 N -3.04 3.80 0.34 2.61 0.00 -0.65 -5.01 121.76 119.81 1s5k s ALA 40 Ca 0.11 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1s5k s ALA 40 Cb 0.17 -2.06 0.60 0.00 0.00 0.00 0.00 23.12 21.83 1s5k s ALA 40 CO 0.63 0.42 1.80 0.22 0.00 0.00 0.00 175.76 178.83 1s5k h ASP 41 N 5.71 0.24 -0.29 0.00 3.58 -1.89 -2.99 116.42 120.78 1s5k h ASP 41 Ca -0.49 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.88 1s5k h ASP 41 Cb 1.20 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.18 1s5k h ASP 41 CO 0.66 0.52 0.00 0.00 -2.88 0.00 0.00 179.24 177.54 1s5k n HIS 42 N -4.14 0.39 -4.89 0.28 1.44 -1.26 -4.88 115.22 102.15 1s5k n HIS 42 Ca -0.01 -0.19 -0.27 0.00 -2.01 0.00 0.00 57.72 55.24 1s5k n HIS 42 Cb 0.38 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.34 1s5k n HIS 42 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1s5k s LEU 43 N -1.03 2.09 -0.08 2.39 1.02 -1.13 0.28 118.68 122.22 1s5k s LEU 43 Ca 0.21 -0.44 -0.31 0.00 0.02 0.00 0.00 54.13 53.61 1s5k s LEU 43 Cb 0.11 -1.06 0.08 0.00 0.02 0.00 0.00 46.19 45.34 1s5k s LEU 43 CO 0.14 0.23 0.75 0.00 0.02 0.00 0.00 176.35 177.49 1s5k s ALA 44 N -0.62 -1.81 0.17 4.21 0.00 -0.82 -4.81 121.76 118.09 1s5k s ALA 44 Ca 0.08 1.39 0.08 0.00 0.00 0.00 0.00 51.96 53.51 1s5k s ALA 44 Cb -0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1s5k s ALA 44 CO 0.00 -0.36 -0.16 -1.12 0.00 0.00 0.00 175.76 174.12 1s5k s SER 45 N -1.15 2.56 -0.03 0.00 0.01 -1.26 0.36 113.70 114.19 1s5k s SER 45 Ca -0.09 -0.91 0.03 0.00 1.31 0.00 0.00 55.95 56.29 1s5k s SER 45 Cb -0.00 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 1s5k s SER 45 CO 0.08 -0.10 -0.12 -0.36 0.41 0.00 0.00 173.24 173.15 1s5k s PHE 46 N -2.38 1.20 -0.15 2.43 0.08 0.14 -0.49 117.98 118.81 1s5k s PHE 46 Ca 0.17 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.92 1s5k s PHE 46 Cb -0.04 -0.82 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1s5k s PHE 46 CO 0.06 -0.10 -0.13 0.42 -0.10 0.00 0.00 175.22 175.37 1s5k s ILE 47 N 0.05 2.97 -0.27 0.64 -1.09 0.51 -0.11 121.20 123.91 1s5k s ILE 47 Ca -0.02 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.57 1s5k s ILE 47 Cb -0.09 -2.26 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 1s5k s ILE 47 CO 0.01 0.51 0.42 0.00 -1.23 0.00 0.00 174.94 174.65 1s5k s ALA 48 N 0.64 3.57 -0.23 9.38 0.00 0.37 -0.27 121.76 135.23 1s5k s ALA 48 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1s5k s ALA 48 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1s5k s ALA 48 CO 0.03 -0.69 -0.01 -1.64 0.00 0.00 0.00 175.76 173.46 1s5k s MET 49 N 2.15 3.47 -0.34 0.00 -1.94 -0.50 0.35 119.30 122.49 1s5k s MET 49 Ca 0.17 -0.58 -0.09 0.00 -1.71 0.00 0.00 55.69 53.49 1s5k s MET 49 Cb -0.16 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.59 1s5k s MET 49 CO 0.10 -0.19 0.15 0.00 -0.01 0.00 0.00 175.02 175.06 1s5k s ALA 50 N 1.51 3.19 -1.45 3.03 0.00 0.12 -0.44 121.76 127.72 1s5k s ALA 50 Ca 0.06 -1.61 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 1s5k s ALA 50 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1s5k s ALA 50 CO -0.01 -1.19 0.35 -0.25 0.00 0.00 0.00 175.76 174.66 1s5k n ASP 51 N 4.93 -0.19 0.00 0.00 8.00 0.10 -1.40 116.55 127.99 1s5k n ASP 51 Ca -0.13 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.31 1s5k n ASP 51 Cb 0.47 -2.76 0.00 0.00 -0.02 0.00 0.00 41.12 38.80 1s5k n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s5k n GLY 52 N -2.07 0.71 3.17 0.44 0.00 -1.26 -5.03 105.19 101.15 1s5k n GLY 52 Ca -0.30 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1s5k n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5k s VAL 53 N -2.86 1.82 -0.06 1.61 1.01 -0.49 -5.04 120.40 116.39 1s5k s VAL 53 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1s5k s VAL 53 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 1s5k s VAL 53 CO 0.00 0.51 1.55 0.00 0.00 0.00 0.00 175.10 177.16 1s5k s ALA 54 N 0.38 3.63 0.00 5.51 0.00 -1.26 0.13 121.76 130.15 1s5k s ALA 54 Ca -0.17 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1s5k s ALA 54 Cb -0.17 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1s5k s ALA 54 CO 0.07 -1.28 0.71 0.44 0.00 0.00 0.00 175.76 175.70 1s5k n ILE 55 N 5.33 0.49 -3.61 0.00 -6.64 0.15 -4.94 119.36 110.14 1s5k n ILE 55 Ca 0.16 -0.65 -0.02 0.00 -1.77 0.00 0.00 62.75 60.47 1s5k n ILE 55 Cb 0.43 0.83 -0.01 0.00 -1.44 0.00 0.00 39.64 39.45 1s5k n ILE 55 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 1s5k s GLY 56 N -0.49 -0.35 0.18 3.28 0.00 -1.21 -1.10 107.32 107.65 1s5k s GLY 56 Ca 0.00 1.15 -0.23 0.00 0.00 0.00 0.00 44.72 45.64 1s5k s GLY 56 CO 0.00 0.34 0.66 -0.11 0.00 0.00 0.00 173.10 173.98 1s5k s PHE 57 N -2.48 -0.43 -0.04 1.90 -0.71 0.05 -0.48 117.98 115.80 1s5k s PHE 57 Ca 0.11 0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 56.13 1s5k s PHE 57 Cb 0.01 0.60 0.02 0.00 -1.21 0.00 0.00 43.02 42.44 1s5k s PHE 57 CO -0.04 -0.93 0.09 0.00 -1.34 0.00 0.00 175.22 172.99 1s5k s ALA 58 N -3.75 -0.17 -0.18 1.99 0.00 0.84 -1.84 121.76 118.66 1s5k s ALA 58 Ca 0.04 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.30 1s5k s ALA 58 Cb -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1s5k s ALA 58 CO -0.07 -0.09 0.06 -0.51 0.00 0.00 0.00 175.76 175.15 1s5k s ASP 59 N 0.56 5.61 0.26 0.00 1.01 -0.29 0.26 116.67 124.08 1s5k s ASP 59 Ca -0.04 0.07 0.03 0.00 0.71 0.00 0.00 52.55 53.32 1s5k s ASP 59 Cb -0.06 -1.96 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 1s5k s ASP 59 CO -0.02 0.17 0.04 0.00 0.21 0.00 0.00 175.17 175.57 1s5k s ALA 60 N 0.39 1.89 0.05 5.23 0.00 0.16 -0.37 121.76 129.11 1s5k s ALA 60 Ca 0.03 -1.86 -0.15 0.00 0.00 0.00 0.00 51.96 49.98 1s5k s ALA 60 Cb -0.12 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1s5k s ALA 60 CO 0.00 -0.33 0.33 -1.54 0.00 0.00 0.00 175.76 174.23 1s5k s SER 61 N -3.34 -0.17 -0.52 0.00 1.04 -0.83 -1.95 113.70 107.94 1s5k s SER 61 Ca 0.33 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1s5k s SER 61 Cb 0.07 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.65 1s5k s SER 61 CO 0.12 -0.65 0.54 -0.63 0.98 0.00 0.00 173.24 173.60 1s5k s ILE 62 N -2.64 5.04 -0.08 -1.02 -1.09 0.14 -0.78 121.20 120.77 1s5k s ILE 62 Ca -0.04 -0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 57.23 1s5k s ILE 62 Cb -0.01 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1s5k s ILE 62 CO -0.04 -0.80 0.65 -0.13 -1.23 0.00 0.00 174.94 173.40 1s5k s ARG 63 N 2.15 4.41 -0.02 2.79 0.52 0.11 -4.88 118.95 124.04 1s5k s ARG 63 Ca 0.09 0.79 0.20 0.00 -0.52 0.00 0.00 55.73 56.29 1s5k s ARG 63 Cb -0.23 -3.45 -0.29 0.00 0.52 0.00 0.00 34.95 31.50 1s5k s ARG 63 CO 0.08 0.08 0.59 0.72 0.02 0.00 0.00 175.30 176.79 1s5k n HIS 64 N 3.78 0.00 -1.08 -0.53 8.25 -1.26 -1.18 115.22 123.20 1s5k n HIS 64 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 1s5k n HIS 64 Cb 0.51 -0.31 0.16 0.00 1.12 0.00 0.00 29.99 31.47 1s5k n HIS 64 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1s5k s ASP 65 N -3.87 2.93 0.41 0.41 1.01 -1.26 -4.92 116.67 111.39 1s5k s ASP 65 Ca -0.02 1.47 -0.26 0.00 0.71 0.00 0.00 52.55 54.44 1s5k s ASP 65 Cb 0.14 -2.14 -0.09 0.00 1.01 0.00 0.00 42.92 41.84 1s5k s ASP 65 CO 0.85 -2.97 1.42 -0.47 0.21 0.00 0.00 175.17 174.20 1s5k s TYR 66 N -2.87 2.59 -0.16 4.23 5.04 -1.26 -4.87 117.35 120.05 1s5k s TYR 66 Ca 0.65 1.26 0.01 0.00 -2.44 0.00 0.00 57.07 56.54 1s5k s TYR 66 Cb -0.19 -3.90 0.02 0.00 0.35 0.00 0.00 41.96 38.24 1s5k s TYR 66 CO 0.58 -2.77 -0.15 0.08 -1.34 0.00 0.00 175.55 171.95 1s5k s VAL 67 N -1.18 1.70 -0.10 3.14 1.01 -1.26 -5.08 120.40 118.63 1s5k s VAL 67 Ca 0.57 -0.73 -0.41 0.00 0.00 0.00 0.00 61.98 61.41 1s5k s VAL 67 Cb -0.44 -1.59 -0.19 0.00 0.00 0.00 0.00 36.38 34.16 1s5k s VAL 67 CO 0.57 0.46 1.25 0.59 0.00 0.00 0.00 175.10 177.98 1s5k n ASN 68 N 4.73 0.62 0.00 3.32 4.13 -1.26 -1.66 115.26 125.14 1s5k n ASN 68 Ca -0.18 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.24 1s5k n ASN 68 Cb 0.50 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 1s5k n ASN 68 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1s5k n GLY 69 N 2.29 0.80 3.59 7.41 0.00 -1.26 -4.96 105.19 113.06 1s5k n GLY 69 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1s5k n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5k n ASP 71 N 0.97 0.91 -4.49 0.00 8.00 -1.26 -4.83 116.55 115.83 1s5k n ASP 71 Ca -0.14 -0.88 -0.28 0.00 0.71 0.00 0.00 54.79 54.20 1s5k n ASP 71 Cb 0.52 0.98 -0.09 0.00 -0.02 0.00 0.00 41.12 42.51 1s5k n ASP 71 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1s5k s SER 72 N -3.08 3.44 -0.17 -2.24 1.04 -1.26 -5.16 113.70 106.26 1s5k s SER 72 Ca 0.07 -1.59 -0.15 0.00 0.48 0.00 0.00 55.95 54.77 1s5k s SER 72 Cb 0.16 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.64 1s5k s SER 72 CO 0.86 -0.79 0.45 -0.55 0.98 0.00 0.00 173.24 174.19 1s5k s SER 73 N -3.72 -0.49 0.87 7.02 0.15 -1.26 -4.64 113.70 111.63 1s5k s SER 73 Ca 0.20 0.92 -0.12 0.00 0.70 0.00 0.00 55.95 57.65 1s5k s SER 73 Cb 0.04 0.91 0.11 0.00 -1.71 0.00 0.00 66.02 65.37 1s5k s SER 73 CO 0.10 -0.17 1.14 -2.16 1.20 0.00 0.00 173.24 173.36 1s5k s PRO 74 N 0.49 1.52 0.02 5.44 0.04 -1.26 -4.99 135.00 136.26 1s5k s PRO 74 Ca -0.02 0.31 0.07 0.00 0.04 0.00 0.00 61.00 61.40 1s5k s PRO 74 Cb -0.04 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1s5k s PRO 74 CO -0.02 -1.94 -0.21 0.08 0.04 0.00 0.00 177.00 174.95 1s5k s VAL 75 N -3.33 1.64 -0.34 -0.36 1.01 -0.32 -4.14 120.40 114.56 1s5k s VAL 75 Ca 0.63 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1s5k s VAL 75 Cb -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 1s5k s VAL 75 CO 0.52 0.29 0.41 0.54 0.00 0.00 0.00 175.10 176.87 1s5k s VAL 76 N -0.68 5.13 -0.13 2.92 0.11 -0.61 0.08 120.40 127.21 1s5k s VAL 76 Ca 0.08 0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.25 1s5k s VAL 76 Cb -0.08 -3.85 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 1s5k s VAL 76 CO 0.01 -0.11 0.03 0.12 -3.33 0.00 0.00 175.10 171.82 1s5k s PHE 77 N 2.13 3.21 -0.68 1.54 2.19 0.04 -0.75 117.98 125.66 1s5k s PHE 77 Ca 0.14 0.09 -0.24 0.00 0.33 0.00 0.00 56.93 57.26 1s5k s PHE 77 Cb -0.16 -1.93 0.06 0.00 -1.31 0.00 0.00 43.02 39.68 1s5k s PHE 77 CO 0.12 0.30 1.04 -1.17 1.83 0.00 0.00 175.22 177.34 1s5k s LEU 78 N -0.25 4.06 0.46 6.12 2.96 0.63 -1.96 118.68 130.71 1s5k s LEU 78 Ca 0.07 -0.83 0.26 0.00 -0.22 0.00 0.00 54.13 53.41 1s5k s LEU 78 Cb -0.12 -2.47 0.90 0.00 0.50 0.00 0.00 46.19 44.99 1s5k s LEU 78 CO 0.02 -1.54 1.81 -0.33 -1.32 0.00 0.00 176.35 174.99 1s5k h GLU 79 N 9.68 0.00 -1.08 1.98 4.39 -1.02 -3.41 114.58 125.11 1s5k h GLU 79 Ca -0.29 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.67 1s5k h GLU 79 Cb 1.07 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.45 1s5k h GLU 79 CO 1.20 0.13 0.95 0.20 -1.16 0.00 0.00 179.01 180.34 1s5k s GLY 80 N -4.25 0.04 -0.18 -3.84 0.00 -1.11 -4.96 107.32 93.01 1s5k s GLY 80 Ca 0.02 2.68 -0.15 0.00 0.00 0.00 0.00 44.72 47.27 1s5k s GLY 80 CO 0.62 1.04 0.47 -1.50 0.00 0.00 0.00 173.10 173.73 1s5k s ILE 81 N -1.18 -0.01 -0.12 0.90 2.07 -1.26 -1.14 121.20 120.47 1s5k s ILE 81 Ca 0.09 0.02 -0.13 0.00 -1.41 0.00 0.00 60.65 59.22 1s5k s ILE 81 Cb -0.01 -0.67 0.03 0.00 0.13 0.00 0.00 42.46 41.95 1s5k s ILE 81 CO -0.07 0.01 0.35 0.12 -1.91 0.00 0.00 174.94 173.44 1s5k s PHE 82 N 0.54 -0.37 -0.05 3.50 5.36 -0.76 -5.01 117.98 121.18 1s5k s PHE 82 Ca -0.02 0.90 0.01 0.00 -0.96 0.00 0.00 56.93 56.85 1s5k s PHE 82 Cb -0.04 0.13 0.02 0.00 -0.34 0.00 0.00 43.02 42.79 1s5k s PHE 82 CO -0.03 -0.21 -0.04 0.08 -1.46 0.00 0.00 175.22 173.56 1s5k s VAL 83 N 0.05 0.52 0.28 3.12 1.01 -1.26 -0.77 120.40 123.35 1s5k s VAL 83 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 1s5k s VAL 83 Cb -0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 36.38 35.65 1s5k s VAL 83 CO 0.01 0.23 1.05 0.18 0.00 0.00 0.00 175.10 176.57 1s5k n LEU 84 N 4.18 1.87 -0.25 3.92 4.77 -0.26 -4.79 117.00 126.45 1s5k n LEU 84 Ca -0.23 1.17 0.03 0.00 -0.03 0.00 0.00 56.01 56.95 1s5k n LEU 84 Cb 0.51 -1.29 0.11 0.00 -2.33 0.00 0.00 43.42 40.41 1s5k n LEU 84 CO 0.22 -1.32 0.75 -0.65 -1.33 0.00 0.00 177.39 175.06 1s5k h PRO 85 N 2.26 0.03 0.00 3.23 0.11 -1.99 0.23 132.00 135.87 1s5k h PRO 85 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1s5k h PRO 85 Cb 1.34 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1s5k h PRO 85 CO 0.62 0.02 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1s5k n SER 86 N -5.43 0.00 -0.15 -2.05 3.41 -1.26 -1.93 113.62 106.20 1s5k n SER 86 Ca 0.11 0.36 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 1s5k n SER 86 Cb 0.41 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1s5k n SER 86 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s5k n PHE 87 N -1.40 0.11 -1.54 7.33 3.01 0.81 -5.05 117.46 120.73 1s5k n PHE 87 Ca 0.02 -0.55 -0.30 0.00 1.01 0.00 0.00 57.45 57.64 1s5k n PHE 87 Cb 0.06 -0.06 0.10 0.00 -0.01 0.00 0.00 39.48 39.56 1s5k n PHE 87 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1s5k s ARG 88 N -1.18 1.98 -1.40 -1.08 0.52 -0.82 -4.02 118.95 112.95 1s5k s ARG 88 Ca 0.08 0.62 -0.09 0.00 -0.52 0.00 0.00 55.73 55.82 1s5k s ARG 88 Cb 0.05 -1.91 0.04 0.00 0.52 0.00 0.00 34.95 33.65 1s5k s ARG 88 CO 0.03 -1.69 1.04 1.04 0.02 0.00 0.00 175.30 175.74 1s5k n GLN 89 N -3.48 -6.61 0.00 3.54 6.02 -1.26 -4.85 117.38 110.74 1s5k n GLN 89 Ca 0.07 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1s5k n GLN 89 Cb 0.56 -5.66 0.00 0.00 1.02 0.00 0.00 30.24 26.16 1s5k n GLN 89 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5k n ARG 90 N -4.72 0.84 -0.62 -1.09 1.74 -1.26 -5.01 116.66 106.54 1s5k n ARG 90 Ca -0.05 -0.78 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 1s5k n ARG 90 Cb 0.57 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 31.37 1s5k n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s5k n GLY 91 N -0.14 0.78 0.32 -0.13 0.00 -1.26 -4.97 105.19 99.79 1s5k n GLY 91 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1s5k n GLY 91 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1s5k h VAL 92 N 0.00 0.42 -0.66 1.61 2.07 -1.95 -1.88 116.25 115.86 1s5k h VAL 92 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1s5k h VAL 92 Cb 0.00 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1s5k h VAL 92 CO 0.00 0.00 0.43 0.00 0.02 0.00 0.00 177.57 178.02 1s5k h ALA 93 N -0.11 1.71 -0.52 1.67 0.00 -1.93 -0.21 119.26 119.88 1s5k h ALA 93 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1s5k h ALA 93 Cb 0.56 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1s5k h ALA 93 CO 0.00 0.20 0.19 -0.22 0.00 0.00 0.00 179.25 179.42 1s5k h LYS 94 N 0.71 0.35 -0.23 0.00 3.64 -1.80 -0.38 116.57 118.87 1s5k h LYS 94 Ca 0.28 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1s5k h LYS 94 Cb 0.19 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1s5k h LYS 94 CO -0.08 0.23 -0.51 1.96 -2.27 0.00 0.00 179.45 178.78 1s5k h GLN 95 N 0.36 0.64 -0.75 1.90 4.20 -0.38 -0.27 115.11 120.82 1s5k h GLN 95 Ca 0.25 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1s5k h GLN 95 Cb 0.27 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.06 1s5k h GLN 95 CO -0.26 1.00 0.40 -0.07 -0.67 0.00 0.00 178.83 179.24 1s5k h LEU 96 N 0.50 0.94 -0.23 1.46 3.38 -0.40 0.89 115.31 121.85 1s5k h LEU 96 Ca 0.02 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.74 1s5k h LEU 96 Cb 1.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1s5k h LEU 96 CO 0.10 0.77 -0.42 0.40 0.09 0.00 0.00 178.44 179.39 1s5k h ILE 97 N 1.04 1.31 -0.85 1.22 2.04 -1.02 -0.18 117.51 121.07 1s5k h ILE 97 Ca 0.26 -1.63 0.04 0.00 1.00 0.00 0.00 64.86 64.53 1s5k h ILE 97 Cb 0.05 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1s5k h ILE 97 CO -0.04 0.51 0.54 0.00 0.00 0.00 0.00 178.15 179.16 1s5k h ALA 98 N 0.63 1.12 -0.09 1.87 0.00 -0.74 0.16 119.26 122.22 1s5k h ALA 98 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1s5k h ALA 98 Cb 1.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1s5k h ALA 98 CO 0.09 0.36 -0.28 0.00 0.00 0.00 0.00 179.25 179.43 1s5k h ALA 99 N 1.36 1.37 -0.20 0.00 0.00 -0.34 -1.02 119.26 120.44 1s5k h ALA 99 Ca 0.34 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1s5k h ALA 99 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s5k h ALA 99 CO -0.12 0.44 -0.23 0.28 0.00 0.00 0.00 179.25 179.61 1s5k h VAL 100 N 0.14 1.33 -0.19 0.00 2.07 0.25 -1.67 116.25 118.19 1s5k h VAL 100 Ca 0.02 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1s5k h VAL 100 Cb 0.57 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1s5k h VAL 100 CO 0.04 0.43 -0.09 -0.61 0.02 0.00 0.00 177.57 177.36 1s5k h GLN 101 N 0.17 -0.07 -0.31 1.57 4.15 -0.38 0.98 115.11 121.22 1s5k h GLN 101 Ca 0.03 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.47 1s5k h GLN 101 Cb 0.79 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 1s5k h GLN 101 CO 0.06 -0.05 0.17 -0.09 -1.93 0.00 0.00 178.83 176.99 1s5k h ARG 102 N -0.08 0.34 -0.86 1.69 2.43 -1.13 -0.45 114.38 116.32 1s5k h ARG 102 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1s5k h ARG 102 Cb 0.23 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1s5k h ARG 102 CO -0.23 0.22 0.56 2.35 -1.51 0.00 0.00 179.97 181.35 1s5k h TRP 103 N 0.35 1.10 0.04 2.20 7.01 -0.64 -2.40 115.95 123.61 1s5k h TRP 103 Ca 0.12 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1s5k h TRP 103 Cb 0.02 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.69 1s5k h TRP 103 CO -0.08 0.71 -0.09 0.78 -2.79 0.00 0.00 178.44 176.97 1s5k h GLY 104 N 1.17 -0.13 0.62 2.65 0.00 0.11 -2.55 103.07 104.94 1s5k h GLY 104 Ca 0.31 0.10 0.04 0.00 0.00 0.00 0.00 47.33 47.79 1s5k h GLY 104 CO -0.07 -0.09 0.04 -0.84 0.00 0.00 0.00 176.54 175.59 1s5k h THR 105 N -0.17 0.84 0.00 4.70 2.02 -0.99 0.25 112.91 119.56 1s5k h THR 105 Ca 0.02 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1s5k h THR 105 Cb 0.19 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1s5k h THR 105 CO -0.06 0.03 0.00 0.59 0.37 0.00 0.00 175.52 176.44 1s5k n ASN 106 N -5.11 0.04 -1.02 4.18 3.02 -0.92 -1.09 115.26 114.38 1s5k n ASN 106 Ca -0.00 0.52 0.08 0.00 -0.03 0.00 0.00 54.58 55.15 1s5k n ASN 106 Cb 0.14 -0.52 0.26 0.00 -0.61 0.00 0.00 39.78 39.05 1s5k n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s5k n LYS 107 N -1.55 3.21 -0.58 3.52 5.02 0.79 -4.96 118.16 123.61 1s5k n LYS 107 Ca 0.01 -2.73 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 1s5k n LYS 107 Cb 0.04 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1s5k n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s5k n GLY 108 N -0.03 0.68 3.72 0.72 0.00 -0.25 -4.99 105.19 105.04 1s5k n GLY 108 Ca 0.21 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1s5k n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5k n ARG 110 N 3.70 0.40 -4.08 0.00 1.74 -1.26 -4.19 116.66 112.96 1s5k n ARG 110 Ca -0.08 0.06 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 1s5k n ARG 110 Cb 0.52 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1s5k n ARG 110 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s5k s GLU 111 N -3.25 0.59 0.00 5.56 2.02 -1.26 -5.10 118.70 117.27 1s5k s GLU 111 Ca 0.03 -0.83 0.08 0.00 0.02 0.00 0.00 54.97 54.26 1s5k s GLU 111 Cb 0.13 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.98 1s5k s GLU 111 CO 0.77 0.06 -0.23 1.41 0.02 0.00 0.00 175.26 177.29 1s5k s MET 112 N -1.80 2.07 0.16 1.61 -2.45 -1.26 -1.57 119.30 116.07 1s5k s MET 112 Ca -0.07 -0.96 -0.00 0.00 -1.25 0.00 0.00 55.69 53.41 1s5k s MET 112 Cb -0.09 -2.10 -0.04 0.00 1.25 0.00 0.00 34.83 33.85 1s5k s MET 112 CO 0.00 0.55 0.07 0.00 1.05 0.00 0.00 175.02 176.69 1s5k s ALA 113 N -0.74 1.09 0.30 4.11 0.00 0.07 -4.93 121.76 121.66 1s5k s ALA 113 Ca 0.12 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.31 1s5k s ALA 113 Cb -0.10 0.95 0.02 0.00 0.00 0.00 0.00 23.12 23.99 1s5k s ALA 113 CO 0.01 -0.48 0.70 0.45 0.00 0.00 0.00 175.76 176.44 1s5k s SER 114 N -3.12 -0.18 0.16 0.00 0.15 -1.26 -0.27 113.70 109.19 1s5k s SER 114 Ca 0.29 -0.75 -0.11 0.00 0.70 0.00 0.00 55.95 56.08 1s5k s SER 114 Cb 0.07 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 1s5k s SER 114 CO 0.05 -1.38 0.33 1.51 1.20 0.00 0.00 173.24 174.95 1s5k s ASP 115 N -2.96 -0.03 -0.01 5.45 1.47 -1.26 -5.02 116.67 114.31 1s5k s ASP 115 Ca 0.13 -0.76 -0.28 0.00 1.18 0.00 0.00 52.55 52.82 1s5k s ASP 115 Cb -0.05 0.46 0.09 0.00 -0.34 0.00 0.00 42.92 43.08 1s5k s ASP 115 CO 0.08 -0.92 0.80 0.28 0.68 0.00 0.00 175.17 176.10 1s5k s THR 116 N -3.94 0.00 0.35 2.11 -1.32 -1.26 -5.06 115.64 106.53 1s5k s THR 116 Ca 0.14 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.35 1s5k s THR 116 Cb 0.02 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 1s5k s THR 116 CO -0.02 0.00 1.15 -0.55 -2.21 0.00 0.00 174.62 172.99 1s5k s SER 117 N -2.03 6.82 0.24 8.08 0.15 -1.26 -4.93 113.70 120.78 1s5k s SER 117 Ca -0.00 2.33 0.19 0.00 0.70 0.00 0.00 55.95 59.16 1s5k s SER 117 Cb -0.01 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.62 1s5k s SER 117 CO -0.04 -0.46 1.57 -0.81 1.20 0.00 0.00 173.24 174.69 1s5k n PRO 118 N 0.50 0.13 0.14 5.44 -0.04 -1.26 -1.24 135.00 138.66 1s5k n PRO 118 Ca 0.02 0.55 0.09 0.00 -0.04 0.00 0.00 63.50 64.12 1s5k n PRO 118 Cb 0.46 -1.85 0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1s5k n PRO 118 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1s5k h GLU 119 N 0.00 0.00 -5.12 0.54 3.07 -2.07 -3.41 114.58 107.59 1s5k h GLU 119 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 1s5k h GLU 119 Cb 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1s5k h GLU 119 CO 0.00 0.12 2.31 -1.71 -1.40 0.00 0.00 179.01 178.33 1s5k n ASN 120 N -2.94 4.09 -0.08 1.42 2.85 -0.38 -4.77 115.26 115.46 1s5k n ASN 120 Ca 0.00 -2.84 -0.06 0.00 -0.11 0.00 0.00 54.58 51.58 1s5k n ASN 120 Cb 0.61 -1.66 0.13 0.00 1.24 0.00 0.00 39.78 40.11 1s5k n ASN 120 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1s5k h THR 121 N 5.09 1.26 -0.53 -0.44 1.35 -1.83 -0.90 112.91 116.91 1s5k h THR 121 Ca 0.45 -1.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 1s5k h THR 121 Cb 0.79 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.31 1s5k h THR 121 CO 1.60 0.41 0.30 0.40 -0.25 0.00 0.00 175.52 177.97 1s5k h ILE 122 N 0.65 1.18 -0.48 6.82 2.04 -1.98 0.61 117.51 126.35 1s5k h ILE 122 Ca 0.10 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 1s5k h ILE 122 Cb 0.63 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 1s5k h ILE 122 CO 0.04 0.19 -0.10 -1.28 0.00 0.00 0.00 178.15 177.00 1s5k h SER 123 N 0.71 0.88 -0.77 1.72 0.87 -1.87 -0.43 113.55 114.66 1s5k h SER 123 Ca 0.19 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1s5k h SER 123 Cb 0.04 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1s5k h SER 123 CO -0.03 1.00 0.45 1.56 -0.53 0.00 0.00 176.83 179.28 1s5k h GLN 124 N 0.80 1.06 -0.11 2.24 4.20 -0.72 -0.69 115.11 121.88 1s5k h GLN 124 Ca 0.13 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 1s5k h GLN 124 Cb 0.62 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1s5k h GLN 124 CO 0.04 0.77 -0.45 0.87 -0.67 0.00 0.00 178.83 179.39 1s5k h LYS 125 N 1.06 0.28 -0.43 1.46 1.57 -0.47 -2.46 116.57 117.58 1s5k h LYS 125 Ca 0.27 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1s5k h LYS 125 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1s5k h LYS 125 CO -0.05 0.68 0.11 0.28 -0.57 0.00 0.00 179.45 179.90 1s5k h VAL 126 N 0.23 1.23 -0.63 0.50 2.07 -0.68 -0.70 116.25 118.28 1s5k h VAL 126 Ca 0.02 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1s5k h VAL 126 Cb 0.89 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1s5k h VAL 126 CO 0.07 0.28 0.14 0.45 0.02 0.00 0.00 177.57 178.53 1s5k h HIS 127 N 0.56 1.03 -0.17 1.57 3.86 -0.99 -2.43 115.15 118.58 1s5k h HIS 127 Ca 0.14 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1s5k h HIS 127 Cb 0.31 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1s5k h HIS 127 CO 0.02 0.86 -0.34 1.96 0.86 0.00 0.00 177.93 181.29 1s5k h GLN 128 N 0.94 0.54 0.00 2.45 4.20 -1.32 -1.62 115.11 120.30 1s5k h GLN 128 Ca 0.20 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1s5k h GLN 128 Cb 0.36 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1s5k h GLN 128 CO 0.00 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.12 1s5k h ALA 129 N 0.58 1.00 -0.65 3.87 0.00 -1.04 -2.00 119.26 121.02 1s5k h ALA 129 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s5k h ALA 129 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1s5k h ALA 129 CO 0.08 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1s5k n LEU 130 N -2.64 4.91 0.00 0.00 4.77 -0.92 -4.95 117.00 118.17 1s5k n LEU 130 Ca -0.01 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 1s5k n LEU 130 Cb 0.15 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1s5k n LEU 130 CO 0.18 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 1s5k n GLY 131 N 1.10 0.74 3.86 -0.72 0.00 -0.75 -5.06 105.19 104.37 1s5k n GLY 131 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1s5k n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5k s PHE 132 N -2.17 3.45 -0.01 1.61 0.40 -0.65 -5.05 117.98 115.57 1s5k s PHE 132 Ca 0.00 1.03 0.05 0.00 -0.60 0.00 0.00 56.93 57.41 1s5k s PHE 132 Cb 0.00 -2.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1s5k s PHE 132 CO 0.00 0.25 -0.14 -1.21 0.70 0.00 0.00 175.22 174.82 1s5k s GLU 133 N -2.68 2.38 0.05 0.44 0.41 -1.26 -4.43 118.70 113.60 1s5k s GLU 133 Ca 0.48 -0.79 -0.31 0.00 -0.41 0.00 0.00 54.97 53.94 1s5k s GLU 133 Cb -0.12 -2.34 -0.07 0.00 -1.78 0.00 0.00 34.13 29.82 1s5k s GLU 133 CO 0.20 0.59 1.44 -2.00 -0.49 0.00 0.00 175.26 175.00 1s5k s GLU 134 N -1.08 4.28 -0.26 1.61 2.12 -1.26 -4.92 118.70 119.19 1s5k s GLU 134 Ca 0.14 2.06 -0.13 0.00 0.36 0.00 0.00 54.97 57.40 1s5k s GLU 134 Cb -0.11 -3.47 -0.14 0.00 0.26 0.00 0.00 34.13 30.67 1s5k s GLU 134 CO 0.03 -0.55 -0.22 0.25 -0.54 0.00 0.00 175.26 174.23 1s5k n THR 135 N 4.43 1.54 -3.48 -1.70 -2.24 -1.26 -5.07 114.28 106.50 1s5k n THR 135 Ca 0.13 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1s5k n THR 135 Cb 0.43 -1.84 -0.03 0.00 -2.10 0.00 0.00 70.33 66.78 1s5k n THR 135 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1s5k s GLU 136 N -2.49 1.04 -0.08 -0.78 -1.05 -1.26 -5.00 118.70 109.08 1s5k s GLU 136 Ca -0.36 -0.23 0.01 0.00 -0.15 0.00 0.00 54.97 54.24 1s5k s GLU 136 Cb 0.12 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.27 1s5k s GLU 136 CO 0.53 -0.42 -0.08 1.03 0.95 0.00 0.00 175.26 177.27 1s5k s ARG 137 N -2.85 2.86 0.12 -4.83 0.52 -1.26 -5.07 118.95 108.44 1s5k s ARG 137 Ca -0.00 -0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1s5k s ARG 137 Cb -0.01 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 1s5k s ARG 137 CO -0.06 0.59 0.16 0.14 0.02 0.00 0.00 175.30 176.15 1s5k s VAL 138 N -0.61 0.12 -0.18 3.52 -7.23 -1.26 -5.13 120.40 109.62 1s5k s VAL 138 Ca 0.09 -1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1s5k s VAL 138 Cb -0.12 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 1s5k s VAL 138 CO 0.02 -0.54 0.00 -0.63 -0.31 0.00 0.00 175.10 173.64 1s5k s ILE 139 N -3.94 4.13 0.12 -0.62 1.01 -1.26 -5.11 121.20 115.53 1s5k s ILE 139 Ca 0.13 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.44 1s5k s ILE 139 Cb 0.05 -2.85 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 1s5k s ILE 139 CO -0.04 0.45 0.42 -0.36 0.00 0.00 0.00 174.94 175.41 1s5k s PHE 140 N 0.68 3.53 0.10 3.97 0.40 -1.26 -5.10 117.98 120.30 1s5k s PHE 140 Ca 0.00 0.75 0.06 0.00 -0.60 0.00 0.00 56.93 57.15 1s5k s PHE 140 Cb -0.14 -2.14 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 1s5k s PHE 140 CO 0.02 0.46 -0.16 0.71 0.70 0.00 0.00 175.22 176.95 1s5k s TYR 141 N -1.53 1.43 -0.02 0.36 2.02 -1.26 -5.15 117.35 113.21 1s5k s TYR 141 Ca 0.37 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 1s5k s TYR 141 Cb -0.13 -0.77 0.00 0.00 -0.40 0.00 0.00 41.96 40.66 1s5k s TYR 141 CO 0.20 0.14 0.11 0.50 -1.57 0.00 0.00 175.55 174.93 1s5k s ARG 142 N -2.24 0.32 -0.10 -0.62 3.52 -1.26 -5.15 118.95 113.42 1s5k s ARG 142 Ca 0.05 -0.18 -0.07 0.00 -0.13 0.00 0.00 55.73 55.40 1s5k s ARG 142 Cb -0.08 0.13 0.03 0.00 -1.56 0.00 0.00 34.95 33.48 1s5k s ARG 142 CO 0.03 -0.07 0.25 0.21 -0.81 0.00 0.00 175.30 174.91 1s5k s LYS 143 N -0.77 0.25 0.42 5.12 2.20 -1.26 -5.14 119.74 120.56 1s5k s LYS 143 Ca -0.09 0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 55.72 1s5k s LYS 143 Cb -0.05 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.21 1s5k s LYS 143 CO 0.01 -0.09 1.08 0.50 -0.36 0.00 0.00 175.35 176.48 1s5k s ARG 144 N 0.63 4.02 0.00 4.03 3.52 -1.26 -5.38 118.95 124.51 1s5k s ARG 144 Ca -0.04 1.56 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1s5k s ARG 144 Cb -0.05 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 1s5k s ARG 144 CO -0.04 -0.27 0.03 0.00 -0.81 0.00 0.00 175.30 174.21