#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k n SER 2 N 0.00 0.73 -3.90 1.61 3.41 -1.26 -5.02 113.62 109.20 2e9k n SER 2 Ca 0.00 0.13 -0.25 0.00 -0.26 0.00 0.00 58.87 58.48 2e9k n SER 2 Cb 0.00 -0.30 -0.17 0.00 -0.26 0.00 0.00 64.21 63.48 2e9k n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2e9k s SER 3 N -5.89 1.94 0.00 4.04 0.01 -1.26 -5.08 113.70 107.47 2e9k s SER 3 Ca -0.14 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2e9k s SER 3 Cb 0.05 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.53 2e9k s SER 3 CO 0.17 -0.10 0.21 0.61 0.41 0.00 0.00 173.24 174.54 2e9k n GLY 4 N 4.74 -0.13 0.33 3.44 0.00 -1.26 -4.23 105.19 108.08 2e9k n GLY 4 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2e9k n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2e9k h SER 5 N 0.00 -1.07 -0.47 1.61 0.87 -2.06 -3.40 113.55 109.04 2e9k h SER 5 Ca 0.00 0.24 -0.77 0.00 -1.23 0.00 0.00 61.79 60.03 2e9k h SER 5 Cb 0.00 0.58 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 2e9k h SER 5 CO 0.00 -0.29 1.20 -1.20 -0.53 0.00 0.00 176.83 176.01 2e9k n SER 6 N -5.46 1.18 -3.51 6.23 7.64 -1.26 -4.88 113.62 113.56 2e9k n SER 6 Ca 0.07 0.75 -0.11 0.00 1.01 0.00 0.00 58.87 60.60 2e9k n SER 6 Cb 0.38 -0.97 -0.02 0.00 -1.01 0.00 0.00 64.21 62.58 2e9k n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e9k s GLY 7 N 5.52 -0.51 0.35 0.23 0.00 -1.26 -4.90 107.32 106.75 2e9k s GLY 7 Ca 1.14 0.32 0.05 0.00 0.00 0.00 0.00 44.72 46.23 2e9k s GLY 7 CO 0.66 0.10 0.04 0.51 0.00 0.00 0.00 173.10 174.40 2e9k s ASP 8 N -2.78 2.88 0.41 1.64 1.47 -1.26 -5.14 116.67 113.88 2e9k s ASP 8 Ca 0.03 -1.36 -0.22 0.00 1.18 0.00 0.00 52.55 52.18 2e9k s ASP 8 Cb -0.02 -0.19 -0.11 0.00 -0.34 0.00 0.00 42.92 42.26 2e9k s ASP 8 CO -0.09 -0.54 0.94 -0.63 0.68 0.00 0.00 175.17 175.53 2e9k s ILE 9 N -3.09 4.37 -0.03 2.11 1.01 -1.26 -5.03 121.20 119.29 2e9k s ILE 9 Ca 0.36 1.52 -0.00 0.00 0.00 0.00 0.00 60.65 62.52 2e9k s ILE 9 Cb 0.09 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 2e9k s ILE 9 CO 0.16 -0.25 -0.01 0.03 0.00 0.00 0.00 174.94 174.87 2e9k h ARG 10 N 2.10 0.00 0.45 2.79 3.08 -2.00 -3.34 114.38 117.46 2e9k h ARG 10 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.54 2e9k h ARG 10 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2e9k h ARG 10 CO 0.62 0.00 -0.21 -1.00 -1.07 0.00 0.00 179.97 178.30 2e9k h PRO 11 N -0.25 -0.58 -0.97 0.04 0.13 -1.98 -2.55 132.00 125.84 2e9k h PRO 11 Ca 0.00 0.04 0.14 0.00 -0.87 0.00 0.00 66.00 65.30 2e9k h PRO 11 Cb 0.03 0.13 -0.15 0.00 0.13 0.00 0.00 31.00 31.14 2e9k h PRO 11 CO 0.00 -0.31 -0.43 0.45 -0.23 0.00 0.00 178.00 177.48 2e9k n SER 12 N -5.18 -0.73 0.07 1.44 2.88 -1.26 -0.31 113.62 110.53 2e9k n SER 12 Ca -0.09 1.71 -0.12 0.00 -1.33 0.00 0.00 58.87 59.04 2e9k n SER 12 Cb 0.27 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.31 2e9k n SER 12 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2e9k h LYS 13 N 0.00 -0.12 -0.68 -1.46 1.79 -1.68 -2.80 116.57 111.63 2e9k h LYS 13 Ca 0.29 0.01 0.14 0.00 -2.18 0.00 0.00 60.65 58.91 2e9k h LYS 13 Cb 0.54 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.09 2e9k h LYS 13 CO -0.95 -0.08 -0.13 1.25 -1.08 0.00 0.00 179.45 178.45 2e9k h LEU 14 N -0.12 -0.56 -0.45 2.94 5.85 -0.21 0.47 115.31 123.22 2e9k h LEU 14 Ca -0.00 0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2e9k h LEU 14 Cb 0.11 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 2e9k h LEU 14 CO -0.01 -0.21 0.07 0.25 -0.34 0.00 0.00 178.44 178.20 2e9k h LEU 15 N 0.02 -0.04 0.53 2.25 5.85 -0.77 -0.42 115.31 122.73 2e9k h LEU 15 Ca 0.33 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 2e9k h LEU 15 Cb 0.52 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2e9k h LEU 15 CO -0.67 0.01 -0.47 0.74 -0.34 0.00 0.00 178.44 177.71 2e9k h THR 16 N 0.19 0.00 -0.96 1.05 2.02 -0.70 0.16 112.91 114.67 2e9k h THR 16 Ca 0.22 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.59 2e9k h THR 16 Cb 0.30 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.60 2e9k h THR 16 CO -0.31 0.00 0.55 -0.25 0.37 0.00 0.00 175.52 175.87 2e9k h TRP 17 N -0.98 0.95 -0.42 3.16 7.01 -1.09 -0.04 115.95 124.54 2e9k h TRP 17 Ca -0.07 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 2e9k h TRP 17 Cb 0.84 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 2e9k h TRP 17 CO -0.21 0.18 0.08 0.00 -2.79 0.00 0.00 178.44 175.70 2e9k h GLN 19 N 0.54 0.72 0.99 0.00 4.20 0.11 -1.79 115.11 119.89 2e9k h GLN 19 Ca 0.13 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2e9k h GLN 19 Cb 0.35 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.98 2e9k h GLN 19 CO 0.01 0.47 -0.48 1.96 -0.67 0.00 0.00 178.83 180.12 2e9k h GLN 20 N 0.74 -1.29 -0.49 1.46 4.20 -1.13 0.50 115.11 119.09 2e9k h GLN 20 Ca 0.24 0.09 0.09 0.00 0.06 0.00 0.00 58.65 59.13 2e9k h GLN 20 Cb 0.02 0.29 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 2e9k h GLN 20 CO -0.10 -0.86 -0.35 1.96 -0.67 0.00 0.00 178.83 178.81 2e9k h GLN 21 N -1.34 -0.22 -0.43 1.46 1.08 -1.35 0.69 115.11 115.00 2e9k h GLN 21 Ca -0.14 0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 2e9k h GLN 21 Cb 1.03 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.49 2e9k h GLN 21 CO 0.22 -0.14 0.06 1.79 -0.95 0.00 0.00 178.83 179.81 2e9k h THR 22 N -0.22 1.21 -1.18 -0.54 1.35 -1.28 -3.45 112.91 108.80 2e9k h THR 22 Ca 0.19 -0.79 -0.66 0.00 -0.55 0.00 0.00 66.41 64.60 2e9k h THR 22 Cb 0.55 0.82 0.12 0.00 -1.73 0.00 0.00 68.15 67.91 2e9k h THR 22 CO -0.61 0.28 -0.64 1.21 -0.25 0.00 0.00 175.52 175.52 2e9k n GLU 23 N -4.28 0.00 0.00 4.72 4.07 0.17 -1.63 120.64 123.70 2e9k n GLU 23 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2e9k n GLU 23 Cb 0.23 -1.00 0.00 0.00 -0.06 0.00 0.00 31.44 30.61 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2e9k n GLY 24 N 2.08 2.91 3.40 8.31 0.00 -1.26 -4.99 105.19 115.65 2e9k n GLY 24 Ca 0.16 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 2e9k n GLY 24 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2e9k n TYR 25 N 0.00 -1.34 -3.74 1.61 4.02 -0.65 -4.98 117.16 112.09 2e9k n TYR 25 Ca 0.00 0.22 -0.34 0.00 -0.01 0.00 0.00 57.90 57.76 2e9k n TYR 25 Cb 0.00 -1.75 -0.05 0.00 -0.02 0.00 0.00 39.34 37.52 2e9k n TYR 25 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2e9k s GLN 26 N -3.66 3.60 -1.34 -0.72 -2.07 -1.26 -4.28 119.66 109.92 2e9k s GLN 26 Ca 0.57 -0.06 -0.09 0.00 -1.82 0.00 0.00 55.36 53.96 2e9k s GLN 26 Cb -0.20 -3.05 0.07 0.00 -1.09 0.00 0.00 33.01 28.74 2e9k s GLN 26 CO 0.67 0.62 0.53 0.72 -1.32 0.00 0.00 175.29 176.51 2e9k n HIS 27 N 0.96 -1.84 -3.82 9.60 8.25 -1.26 -4.93 115.22 122.19 2e9k n HIS 27 Ca -0.10 0.50 -0.30 0.00 -0.26 0.00 0.00 57.72 57.56 2e9k n HIS 27 Cb 0.53 -3.21 -0.14 0.00 1.12 0.00 0.00 29.99 28.28 2e9k n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2e9k s VAL 28 N -2.99 1.52 -0.38 1.59 1.01 -1.26 -5.08 120.40 114.81 2e9k s VAL 28 Ca 0.40 -2.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.25 2e9k s VAL 28 Cb -0.21 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.14 2e9k s VAL 28 CO 0.50 -0.72 0.17 0.21 0.00 0.00 0.00 175.10 175.26 2e9k s ASN 29 N 0.97 5.29 -0.42 3.32 2.47 -1.26 -4.88 114.94 120.43 2e9k s ASN 29 Ca 0.13 -1.64 -0.18 0.00 0.42 0.00 0.00 52.86 51.59 2e9k s ASN 29 Cb -0.20 -1.85 0.02 0.00 -1.45 0.00 0.00 41.25 37.77 2e9k s ASN 29 CO -0.12 -0.46 0.47 -0.69 -3.72 0.00 0.00 177.10 172.58 2e9k s VAL 30 N 1.27 5.04 -0.00 -5.21 1.01 -1.26 -4.82 120.40 116.43 2e9k s VAL 30 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2e9k s VAL 30 Cb -0.22 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2e9k s VAL 30 CO -0.01 -0.44 -0.00 0.35 0.00 0.00 0.00 175.10 175.00 2e9k n THR 31 N 5.50 0.00 -4.50 3.92 -2.24 -1.26 -4.94 114.28 110.77 2e9k n THR 31 Ca -0.06 -0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.49 2e9k n THR 31 Cb 0.48 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.97 2e9k n THR 31 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2e9k n ASP 32 N -2.32 2.65 -0.22 3.42 8.00 -1.26 -5.06 116.55 121.76 2e9k n ASP 32 Ca -0.00 -2.58 0.05 0.00 0.71 0.00 0.00 54.79 52.97 2e9k n ASP 32 Cb 0.50 0.34 0.10 0.00 -0.02 0.00 0.00 41.12 42.04 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e9k n LEU 33 N 0.00 2.47 -0.01 0.64 4.77 -1.26 -4.03 117.00 119.58 2e9k n LEU 33 Ca -0.13 -2.48 -0.02 0.00 -0.03 0.00 0.00 56.01 53.36 2e9k n LEU 33 Cb 0.45 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2e9k n LEU 33 CO 0.24 0.62 -0.58 0.35 -1.33 0.00 0.00 177.39 176.70 2e9k n THR 34 N -0.66 0.13 -0.12 -5.08 -2.24 -1.26 -4.74 114.28 100.31 2e9k n THR 34 Ca 0.09 -0.05 -0.17 0.00 -2.27 0.00 0.00 64.05 61.66 2e9k n THR 34 Cb 0.48 -0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 67.95 2e9k n THR 34 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2e9k n THR 35 N -2.60 1.48 -0.20 4.28 -2.24 -1.26 -4.12 114.28 109.63 2e9k n THR 35 Ca -0.04 -0.63 0.24 0.00 -2.27 0.00 0.00 64.05 61.35 2e9k n THR 35 Cb 0.54 -1.24 0.63 0.00 -2.10 0.00 0.00 70.33 68.16 2e9k n THR 35 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2e9k h SER 36 N 0.00 0.17 -0.61 3.42 0.02 -1.88 0.33 113.55 115.01 2e9k h SER 36 Ca -0.57 0.02 -0.34 0.00 -0.84 0.00 0.00 61.79 60.07 2e9k h SER 36 Cb 1.97 -0.01 -0.20 0.00 0.14 0.00 0.00 62.40 64.30 2e9k h SER 36 CO -0.06 0.06 0.15 0.79 -1.14 0.00 0.00 176.83 176.64 2e9k n TRP 37 N -4.38 1.91 0.05 3.45 7.02 -1.26 -4.33 117.44 119.90 2e9k n TRP 37 Ca 0.19 -1.83 -0.20 0.00 -1.02 0.00 0.00 57.50 54.64 2e9k n TRP 37 Cb 0.84 -0.69 -0.14 0.00 -2.42 0.00 0.00 31.31 28.90 2e9k n TRP 37 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 2e9k h ARG 38 N 1.15 0.30 0.05 -0.99 0.11 -0.49 -3.39 114.38 111.13 2e9k h ARG 38 Ca 0.38 -0.52 -0.13 0.00 0.10 0.00 0.00 59.98 59.81 2e9k h ARG 38 Cb 1.93 0.19 -0.00 0.00 1.11 0.00 0.00 29.97 33.20 2e9k h ARG 38 CO 0.71 1.18 -0.66 1.03 0.10 0.00 0.00 179.97 182.33 2e9k h SER 39 N 0.08 0.17 0.00 0.08 0.87 -1.80 -3.40 113.55 109.56 2e9k h SER 39 Ca -0.32 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.37 2e9k h SER 39 Cb 2.06 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.96 2e9k h SER 39 CO 0.15 1.29 0.00 0.61 -0.53 0.00 0.00 176.83 178.35 2e9k n GLY 40 N 1.61 3.87 0.24 5.77 0.00 -1.26 -3.04 105.19 112.37 2e9k n GLY 40 Ca -0.18 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.06 2e9k n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2e9k n LEU 41 N 0.00 0.07 0.09 0.99 4.77 -1.26 0.35 117.00 122.02 2e9k n LEU 41 Ca 0.00 1.21 -0.15 0.00 -0.03 0.00 0.00 56.01 57.04 2e9k n LEU 41 Cb 0.00 -0.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.49 2e9k n LEU 41 CO 0.00 -1.28 0.51 0.00 -1.33 0.00 0.00 177.39 175.29 2e9k h ALA 42 N 1.44 -0.96 0.87 -1.18 0.00 -1.94 0.27 119.26 117.76 2e9k h ALA 42 Ca 0.52 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 2e9k h ALA 42 Cb 1.23 0.88 0.01 0.00 0.00 0.00 0.00 17.79 19.90 2e9k h ALA 42 CO -0.62 -1.08 -0.42 1.25 0.00 0.00 0.00 179.25 178.38 2e9k h LEU 43 N -0.68 -0.99 -0.94 0.00 5.85 -0.43 -3.01 115.31 115.11 2e9k h LEU 43 Ca -0.00 0.03 0.27 0.00 0.84 0.00 0.00 57.88 59.02 2e9k h LEU 43 Cb 0.69 0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.81 2e9k h LEU 43 CO -0.28 -0.66 0.16 0.00 -0.34 0.00 0.00 178.44 177.32 2e9k h ALA 45 N 1.90 0.33 -0.38 0.00 0.00 -0.32 0.30 119.26 121.09 2e9k h ALA 45 Ca 0.60 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.70 2e9k h ALA 45 Cb 1.28 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 2e9k h ALA 45 CO -0.80 -0.43 0.17 0.82 0.00 0.00 0.00 179.25 179.01 2e9k h ILE 46 N 0.04 0.95 0.59 0.00 2.04 -0.24 -0.39 117.51 120.49 2e9k h ILE 46 Ca 0.21 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 2e9k h ILE 46 Cb 0.32 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2e9k h ILE 46 CO -0.42 0.07 -0.28 0.40 0.00 0.00 0.00 178.15 177.91 2e9k h ILE 47 N 0.36 0.00 -0.89 -0.67 2.04 -0.85 -3.15 117.51 114.34 2e9k h ILE 47 Ca 0.17 -0.15 0.24 0.00 1.00 0.00 0.00 64.86 66.12 2e9k h ILE 47 Cb 0.10 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.03 2e9k h ILE 47 CO -0.13 0.00 0.26 -0.74 0.00 0.00 0.00 178.15 177.54 2e9k h HIS 48 N -0.94 0.40 -0.69 1.37 2.76 -0.43 0.87 115.15 118.49 2e9k h HIS 48 Ca -0.08 0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2e9k h HIS 48 Cb 0.61 -0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.45 2e9k h HIS 48 CO 0.05 -0.21 -0.42 -0.09 -1.30 0.00 0.00 177.93 175.96 2e9k h ARG 49 N 0.22 -0.01 -0.03 5.26 9.65 -1.02 0.30 114.38 128.74 2e9k h ARG 49 Ca 0.57 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.41 2e9k h ARG 49 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 2e9k h ARG 49 CO -0.66 -0.01 -0.14 0.74 2.80 0.00 0.00 179.97 182.71 2e9k h PHE 50 N -0.02 0.19 -3.25 2.20 -1.00 -1.35 -3.40 116.94 110.31 2e9k h PHE 50 Ca 0.11 -0.08 -0.63 0.00 2.81 0.00 0.00 57.97 60.18 2e9k h PHE 50 Cb 0.30 -0.03 -0.41 0.00 3.61 0.00 0.00 35.95 39.42 2e9k h PHE 50 CO -0.99 0.78 -0.66 1.03 -1.61 0.00 0.00 178.31 176.86 2e9k s ARG 51 N -3.58 1.79 0.53 1.51 1.81 0.21 -4.94 118.95 116.28 2e9k s ARG 51 Ca -0.16 -2.48 0.33 0.00 -1.72 0.00 0.00 55.73 51.71 2e9k s ARG 51 Cb 0.02 -3.03 1.37 0.00 -0.45 0.00 0.00 34.95 32.86 2e9k s ARG 51 CO 0.72 -1.13 1.97 -1.00 -0.68 0.00 0.00 175.30 175.18 2e9k h PRO 52 N 6.51 0.00 -0.32 3.54 0.13 -0.63 -3.05 132.00 138.18 2e9k h PRO 52 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 2e9k h PRO 52 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 2e9k h PRO 52 CO 0.63 0.00 -0.23 1.05 -0.23 0.00 0.00 178.00 179.21 2e9k h GLU 53 N 0.00 0.72 -0.19 0.86 4.11 -1.92 -3.22 114.58 114.94 2e9k h GLU 53 Ca 0.00 -0.35 0.01 0.00 0.07 0.00 0.00 59.36 59.09 2e9k h GLU 53 Cb 0.48 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2e9k h GLU 53 CO 0.00 0.96 0.09 -0.07 0.07 0.00 0.00 179.01 180.06 2e9k h LEU 54 N 0.48 0.12 -8.35 3.06 3.38 -1.92 -3.42 115.31 108.66 2e9k h LEU 54 Ca 0.06 0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.48 2e9k h LEU 54 Cb 0.79 -0.01 -0.30 0.00 0.09 0.00 0.00 40.66 41.23 2e9k h LEU 54 CO 0.06 0.10 -0.84 -0.63 0.09 0.00 0.00 178.44 177.22 2e9k s ILE 55 N -6.18 1.46 -0.44 1.22 1.01 -1.21 -5.07 121.20 111.98 2e9k s ILE 55 Ca -0.13 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2e9k s ILE 55 Cb 0.09 -1.22 0.12 0.00 0.01 0.00 0.00 42.46 41.46 2e9k s ILE 55 CO 0.69 0.41 0.19 0.21 0.00 0.00 0.00 174.94 176.44 2e9k s ASN 56 N -0.41 4.72 0.20 3.58 2.47 -1.26 -4.55 114.94 119.70 2e9k s ASN 56 Ca 0.07 -2.52 -0.17 0.00 0.42 0.00 0.00 52.86 50.65 2e9k s ASN 56 Cb -0.07 -1.68 0.19 0.00 -1.45 0.00 0.00 41.25 38.24 2e9k s ASN 56 CO -0.01 -0.35 1.59 0.15 -3.72 0.00 0.00 177.10 174.77 2e9k h PHE 57 N 7.20 -0.73 -1.74 0.43 3.57 -1.93 0.41 116.94 124.15 2e9k h PHE 57 Ca -0.06 0.07 0.51 0.00 3.53 0.00 0.00 57.97 62.01 2e9k h PHE 57 Cb 0.97 0.42 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 2e9k h PHE 57 CO 0.52 -0.36 1.30 -3.47 -2.23 0.00 0.00 178.31 174.07 2e9k n ASP 58 N -5.45 0.00 -0.02 0.41 -0.08 -1.26 0.13 116.55 110.28 2e9k n ASP 58 Ca 0.07 0.89 -0.20 0.00 -1.51 0.00 0.00 54.79 54.04 2e9k n ASP 58 Cb 0.36 -0.44 -0.13 0.00 2.34 0.00 0.00 41.12 43.26 2e9k n ASP 58 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2e9k h SER 59 N 0.00 0.25 -1.58 1.67 0.87 -0.61 -3.46 113.55 110.69 2e9k h SER 59 Ca 0.83 -0.81 -0.69 0.00 -1.23 0.00 0.00 61.79 59.88 2e9k h SER 59 Cb 3.42 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 65.31 2e9k h SER 59 CO -0.01 1.49 1.06 0.18 -0.53 0.00 0.00 176.83 179.02 2e9k n LEU 60 N -4.14 2.63 -4.43 2.23 4.77 0.36 -4.93 117.00 113.49 2e9k n LEU 60 Ca -0.23 0.92 -0.37 0.00 -0.03 0.00 0.00 56.01 56.30 2e9k n LEU 60 Cb 0.79 -1.22 -0.13 0.00 -2.33 0.00 0.00 43.42 40.53 2e9k n LEU 60 CO 0.36 -0.38 -0.28 0.21 -1.33 0.00 0.00 177.39 175.97 2e9k s ASN 61 N 4.45 5.10 0.23 -1.43 2.47 -1.26 -4.96 114.94 119.54 2e9k s ASN 61 Ca 0.99 -0.28 -0.09 0.00 0.42 0.00 0.00 52.86 53.90 2e9k s ASN 61 Cb -0.93 -1.91 0.36 0.00 -1.45 0.00 0.00 41.25 37.32 2e9k s ASN 61 CO 0.59 -0.06 1.36 1.21 -3.72 0.00 0.00 177.10 176.48 2e9k n GLU 62 N 4.91 -0.11 -0.20 0.43 2.13 -1.26 0.23 120.64 126.78 2e9k n GLU 62 Ca -0.16 1.36 0.01 0.00 0.66 0.00 0.00 57.16 59.02 2e9k n GLU 62 Cb 0.51 -2.02 0.25 0.00 0.27 0.00 0.00 31.44 30.45 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2e9k h ASP 63 N 0.00 0.84 0.00 4.31 3.58 -2.01 -2.88 116.42 120.27 2e9k h ASP 63 Ca 0.39 -0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.65 2e9k h ASP 63 Cb 0.61 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.39 2e9k h ASP 63 CO -0.89 0.61 -0.35 0.47 -2.88 0.00 0.00 179.24 176.20 2e9k n ASP 64 N -4.42 5.17 0.14 2.28 8.00 0.64 -4.62 116.55 123.73 2e9k n ASP 64 Ca 0.08 -2.46 -0.14 0.00 0.71 0.00 0.00 54.79 52.98 2e9k n ASP 64 Cb 0.03 -1.38 -0.08 0.00 -0.02 0.00 0.00 41.12 39.67 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9k h ALA 65 N 2.92 -0.97 -0.87 2.24 0.00 -1.55 0.36 119.26 121.39 2e9k h ALA 65 Ca 0.18 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2e9k h ALA 65 Cb 1.47 0.76 -0.11 0.00 0.00 0.00 0.00 17.79 19.91 2e9k h ALA 65 CO 0.22 -1.05 -0.49 0.28 0.00 0.00 0.00 179.25 178.21 2e9k n VAL 66 N -4.91 -0.58 0.06 0.00 0.31 -1.26 -0.29 118.33 111.67 2e9k n VAL 66 Ca -0.08 2.10 -0.12 0.00 -0.01 0.00 0.00 64.34 66.23 2e9k n VAL 66 Cb 0.35 -2.61 -0.06 0.00 -0.91 0.00 0.00 33.84 30.61 2e9k n VAL 66 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2e9k h GLU 67 N 0.00 -0.17 -0.62 5.55 5.08 -1.87 -1.49 114.58 121.07 2e9k h GLU 67 Ca 0.16 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 2e9k h GLU 67 Cb 0.37 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 2e9k h GLU 67 CO -0.82 -0.11 -0.45 -0.91 -1.00 0.00 0.00 179.01 175.72 2e9k h ASN 68 N -0.17 -1.54 0.85 1.42 2.35 0.16 0.43 115.58 119.07 2e9k h ASN 68 Ca 0.03 0.25 -0.04 0.00 -0.55 0.00 0.00 56.30 55.99 2e9k h ASN 68 Cb 0.20 0.70 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 2e9k h ASN 68 CO -0.08 -0.33 -0.49 0.78 -1.65 0.00 0.00 177.43 175.66 2e9k h ASN 69 N -0.21 -1.23 -0.98 5.81 2.35 -0.87 -2.63 115.58 117.82 2e9k h ASN 69 Ca 0.18 0.06 0.33 0.00 -0.55 0.00 0.00 56.30 56.33 2e9k h ASN 69 Cb 0.56 0.35 -0.17 0.00 0.05 0.00 0.00 38.32 39.10 2e9k h ASN 69 CO -0.72 -0.77 0.32 1.56 -1.65 0.00 0.00 177.43 176.17 2e9k h GLN 70 N -1.25 0.06 0.65 0.81 1.08 -0.68 0.27 115.11 116.05 2e9k h GLN 70 Ca -0.11 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 2e9k h GLN 70 Cb 0.99 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 2e9k h GLN 70 CO 0.14 0.04 -0.41 1.25 -0.95 0.00 0.00 178.83 178.90 2e9k h LEU 71 N 0.06 -1.04 -0.71 1.46 5.85 -0.58 0.19 115.31 120.54 2e9k h LEU 71 Ca 0.71 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.65 2e9k h LEU 71 Cb 1.69 0.31 -0.11 0.00 0.37 0.00 0.00 40.66 42.92 2e9k h LEU 71 CO -0.79 -0.62 0.14 0.00 -0.34 0.00 0.00 178.44 176.82 2e9k h ALA 72 N -1.29 0.88 -0.23 1.25 0.00 -0.72 0.12 119.26 119.27 2e9k h ALA 72 Ca -0.09 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2e9k h ALA 72 Cb 0.80 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2e9k h ALA 72 CO 0.08 -0.35 0.13 0.74 0.00 0.00 0.00 179.25 179.84 2e9k h PHE 73 N 0.23 0.31 -0.35 0.00 0.04 -1.00 -0.40 116.94 115.78 2e9k h PHE 73 Ca 0.40 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 61.18 2e9k h PHE 73 Cb 0.67 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 2e9k h PHE 73 CO -0.29 0.27 0.20 0.22 -0.60 0.00 0.00 178.31 178.11 2e9k h ASP 74 N 0.26 0.31 -0.40 2.17 1.82 0.82 -1.72 116.42 119.68 2e9k h ASP 74 Ca 0.08 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 2e9k h ASP 74 Cb 0.06 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2e9k h ASP 74 CO -0.01 0.23 0.13 0.58 -1.61 0.00 0.00 179.24 178.55 2e9k h VAL 75 N 0.40 1.20 -0.42 2.25 2.07 -0.65 0.46 116.25 121.56 2e9k h VAL 75 Ca 0.14 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 2e9k h VAL 75 Cb 0.02 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2e9k h VAL 75 CO -0.07 0.26 -0.04 0.00 0.02 0.00 0.00 177.57 177.73 2e9k h ALA 76 N 1.47 1.15 0.00 1.67 0.00 -0.47 0.32 119.26 123.40 2e9k h ALA 76 Ca 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2e9k h ALA 76 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2e9k h ALA 76 CO -0.01 0.54 -0.75 -1.91 0.00 0.00 0.00 179.25 177.13 2e9k n GLU 77 N -4.21 0.12 -0.03 0.00 0.00 -0.70 0.19 120.64 116.00 2e9k n GLU 77 Ca 0.02 0.01 -0.15 0.00 0.00 0.00 0.00 57.16 57.04 2e9k n GLU 77 Cb 0.31 -1.55 -0.14 0.00 0.00 0.00 0.00 31.44 30.05 2e9k n GLU 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2e9k n ARG 78 N -1.72 0.69 -0.09 5.31 0.63 0.16 -3.38 116.66 118.26 2e9k n ARG 78 Ca 0.04 0.23 -0.17 0.00 -0.92 0.00 0.00 57.85 57.03 2e9k n ARG 78 Cb 0.38 -1.70 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2e9k n GLU 79 N -3.20 0.48 0.09 -0.14 -0.58 0.11 -4.66 120.64 112.74 2e9k n GLU 79 Ca -0.28 0.20 0.03 0.00 -0.42 0.00 0.00 57.16 56.69 2e9k n GLU 79 Cb 1.06 -1.32 -0.02 0.00 -0.57 0.00 0.00 31.44 30.58 2e9k n GLU 79 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2e9k h PHE 80 N -0.86 0.00 -1.39 -0.32 0.04 -1.44 -3.48 116.94 109.49 2e9k h PHE 80 Ca -0.30 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.33 2e9k h PHE 80 Cb 1.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.35 2e9k h PHE 80 CO -0.22 0.44 -0.19 0.41 -0.60 0.00 0.00 178.31 178.15 2e9k n GLY 81 N 1.29 0.18 3.64 -1.45 0.00 0.51 -4.90 105.19 104.46 2e9k n GLY 81 Ca -0.04 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2e9k n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2e9k s ILE 82 N -2.54 5.24 -0.08 -0.61 1.01 0.53 -4.80 121.20 119.96 2e9k s ILE 82 Ca 0.05 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 2e9k s ILE 82 Cb -0.02 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2e9k s ILE 82 CO 0.06 0.24 1.51 -2.16 0.00 0.00 0.00 174.94 174.59 2e9k s PRO 83 N 1.53 4.21 0.15 2.79 0.04 -1.26 -3.47 135.00 138.99 2e9k s PRO 83 Ca 0.14 2.01 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 2e9k s PRO 83 Cb -0.15 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.45 2e9k s PRO 83 CO 0.08 -0.77 1.33 -1.25 0.04 0.00 0.00 177.00 176.44 2e9k s PRO 84 N 3.63 4.36 0.29 0.56 0.04 -1.26 -4.93 135.00 137.70 2e9k s PRO 84 Ca 0.67 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.76 2e9k s PRO 84 Cb -0.30 -3.23 0.46 0.00 0.04 0.00 0.00 34.50 31.47 2e9k s PRO 84 CO 0.25 -0.33 1.80 -0.39 0.04 0.00 0.00 177.00 178.37 2e9k h VAL 85 N 4.02 1.23 -4.02 -0.36 -1.51 -1.96 -3.44 116.25 110.21 2e9k h VAL 85 Ca -0.43 -0.97 -0.18 0.00 -1.23 0.00 0.00 66.70 63.89 2e9k h VAL 85 Cb 1.21 1.00 -0.16 0.00 -2.13 0.00 0.00 31.29 31.21 2e9k h VAL 85 CO 0.81 0.33 -0.69 0.28 -1.23 0.00 0.00 177.57 177.07 2e9k s THR 86 N -4.88 0.43 0.02 7.19 -1.32 -1.26 -5.15 115.64 110.68 2e9k s THR 86 Ca -0.08 -1.70 -0.10 0.00 -1.21 0.00 0.00 61.69 58.60 2e9k s THR 86 Cb 0.15 -1.38 -0.05 0.00 -1.51 0.00 0.00 72.50 69.71 2e9k s THR 86 CO 0.79 -0.84 0.34 0.42 -2.21 0.00 0.00 174.62 173.12 2e9k s THR 87 N -3.31 5.18 0.23 5.08 -4.23 -1.26 -4.89 115.64 112.44 2e9k s THR 87 Ca 0.05 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.03 2e9k s THR 87 Cb 0.03 -3.61 0.31 0.00 1.34 0.00 0.00 72.50 70.57 2e9k s THR 87 CO -0.06 0.42 1.17 0.61 -0.54 0.00 0.00 174.62 176.22 2e9k n GLY 88 N 1.32 -0.98 0.29 3.99 0.00 -1.26 -0.19 105.19 108.36 2e9k n GLY 88 Ca -0.12 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.52 2e9k n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e9k h LYS 89 N 0.00 -0.64 -0.85 1.61 1.57 -1.94 -2.08 116.57 114.24 2e9k h LYS 89 Ca 0.46 0.04 0.17 0.00 -1.87 0.00 0.00 60.65 59.46 2e9k h LYS 89 Cb 0.98 0.15 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 2e9k h LYS 89 CO -0.69 -0.43 0.56 0.93 -0.57 0.00 0.00 179.45 179.24 2e9k h GLU 90 N -0.67 0.47 0.44 3.15 5.08 -1.20 -0.49 114.58 121.37 2e9k h GLU 90 Ca -0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2e9k h GLU 90 Cb 0.54 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2e9k h GLU 90 CO 0.06 0.31 -0.43 1.98 -1.00 0.00 0.00 179.01 179.93 2e9k h MET 91 N 0.48 -0.85 -0.55 2.33 4.05 -0.25 0.18 114.93 120.32 2e9k h MET 91 Ca 0.43 0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.84 2e9k h MET 91 Cb 0.94 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 2e9k h MET 91 CO -0.16 -0.57 0.08 0.00 0.23 0.00 0.00 176.91 176.49 2e9k h ALA 92 N -0.58 1.12 0.98 0.39 0.00 -0.74 -3.20 119.26 117.22 2e9k h ALA 92 Ca -0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2e9k h ALA 92 Cb 0.78 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2e9k h ALA 92 CO -0.06 0.58 -0.47 1.03 0.00 0.00 0.00 179.25 180.33 2e9k h SER 93 N 0.83 -1.12 -1.28 0.00 0.87 -0.78 -3.41 113.55 108.66 2e9k h SER 93 Ca 0.17 0.04 -0.67 0.00 -1.23 0.00 0.00 61.79 60.10 2e9k h SER 93 Cb 0.38 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2e9k h SER 93 CO 0.01 -0.80 1.30 0.00 -0.53 0.00 0.00 176.83 176.81 2e9k n ALA 94 N -2.66 0.87 0.31 6.23 0.00 0.61 -4.86 120.51 121.01 2e9k n ALA 94 Ca -0.17 0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 2e9k n ALA 94 Cb 0.52 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.39 2e9k n ALA 94 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2e9k h GLN 95 N 11.24 -0.86 -4.18 0.00 1.08 -1.86 -3.38 115.11 117.16 2e9k h GLN 95 Ca -0.33 0.06 -0.64 0.00 -1.45 0.00 0.00 58.65 56.29 2e9k h GLN 95 Cb 1.31 0.20 -0.40 0.00 -0.05 0.00 0.00 27.48 28.54 2e9k h GLN 95 CO 1.00 -0.57 -0.71 -2.00 -0.95 0.00 0.00 178.83 175.59 2e9k s GLU 96 N -5.99 1.40 0.91 1.46 2.12 -1.26 -5.01 118.70 112.33 2e9k s GLU 96 Ca -0.18 -1.85 -0.12 0.00 0.36 0.00 0.00 54.97 53.19 2e9k s GLU 96 Cb 0.05 -2.95 0.14 0.00 0.26 0.00 0.00 34.13 31.63 2e9k s GLU 96 CO 0.62 -0.99 1.09 -1.25 -0.54 0.00 0.00 175.26 174.20 2e9k s PRO 97 N 0.82 1.13 0.34 4.30 0.04 -1.26 -5.00 135.00 135.36 2e9k s PRO 97 Ca 0.12 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 61.67 2e9k s PRO 97 Cb -0.20 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2e9k s PRO 97 CO -0.09 -2.32 1.06 0.34 0.04 0.00 0.00 177.00 176.03 2e9k s ASP 98 N -3.42 7.02 -0.01 6.66 -1.08 -1.26 -4.95 116.67 119.63 2e9k s ASP 98 Ca 0.64 2.13 -0.10 0.00 -0.52 0.00 0.00 52.55 54.70 2e9k s ASP 98 Cb -0.18 -2.60 -0.31 0.00 -1.46 0.00 0.00 42.92 38.36 2e9k s ASP 98 CO 0.57 -0.31 0.83 0.07 0.52 0.00 0.00 175.17 176.84 2e9k h LYS 99 N 3.14 0.39 -0.08 4.34 2.10 -1.95 -3.06 116.57 121.46 2e9k h LYS 99 Ca -0.47 -0.66 -0.00 0.00 -2.00 0.00 0.00 60.65 57.51 2e9k h LYS 99 Cb 1.21 0.25 -0.00 0.00 -0.90 0.00 0.00 32.23 32.79 2e9k h LYS 99 CO 0.65 1.29 0.04 1.25 -2.00 0.00 0.00 179.45 180.68 2e9k h LEU 100 N 0.11 0.09 -0.68 7.07 7.12 -1.97 0.84 115.31 127.89 2e9k h LEU 100 Ca -0.29 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 57.61 2e9k h LEU 100 Cb 2.09 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 42.17 2e9k h LEU 100 CO 0.20 0.15 0.30 0.28 -0.13 0.00 0.00 178.44 179.24 2e9k h SER 101 N 0.04 0.91 -0.18 1.25 0.02 -1.99 0.20 113.55 113.80 2e9k h SER 101 Ca 0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2e9k h SER 101 Cb 0.07 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2e9k h SER 101 CO -0.00 0.81 0.06 0.24 -1.14 0.00 0.00 176.83 176.80 2e9k h MET 102 N 0.96 0.28 0.69 3.45 2.86 -1.40 -0.82 114.93 120.95 2e9k h MET 102 Ca 0.23 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2e9k h MET 102 Cb 0.16 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.79 2e9k h MET 102 CO -0.02 0.38 -0.33 0.28 1.06 0.00 0.00 176.91 178.27 2e9k h VAL 103 N 0.12 0.21 -0.99 -2.22 2.07 -0.67 0.25 116.25 115.02 2e9k h VAL 103 Ca 0.06 -0.21 0.18 0.00 0.82 0.00 0.00 66.70 67.56 2e9k h VAL 103 Cb 0.21 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 2e9k h VAL 103 CO -0.00 0.02 0.61 0.00 0.02 0.00 0.00 177.57 178.22 2e9k h MET 104 N -1.10 0.73 0.03 1.57 3.00 -1.00 0.23 114.93 118.39 2e9k h MET 104 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 59.70 59.56 2e9k h MET 104 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 31.60 32.18 2e9k h MET 104 CO 0.16 0.48 -0.01 -0.92 0.00 0.00 0.00 176.91 176.62 2e9k h TYR 105 N 0.75 -0.03 -0.62 -0.10 3.20 -1.01 -3.27 116.97 115.89 2e9k h TYR 105 Ca 0.56 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.48 2e9k h TYR 105 Cb 0.89 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.12 2e9k h TYR 105 CO -0.00 0.50 0.34 -0.07 -1.64 0.00 0.00 178.16 177.28 2e9k h LEU 106 N -0.59 0.50 -0.97 2.82 3.38 0.32 -2.38 115.31 118.39 2e9k h LEU 106 Ca -0.00 0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.25 2e9k h LEU 106 Cb 0.55 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 41.05 2e9k h LEU 106 CO 0.01 0.33 0.02 -1.28 0.09 0.00 0.00 178.44 177.61 2e9k h SER 107 N 0.64 -0.47 -0.76 -0.43 0.87 -0.62 0.26 113.55 113.04 2e9k h SER 107 Ca 0.27 0.27 0.13 0.00 -1.23 0.00 0.00 61.79 61.24 2e9k h SER 107 Cb 0.15 0.48 -0.14 0.00 -0.44 0.00 0.00 62.40 62.45 2e9k h SER 107 CO -0.17 -0.34 -0.32 0.11 -0.53 0.00 0.00 176.83 175.59 2e9k h LYS 108 N 0.02 -0.07 0.14 2.24 1.57 -1.51 0.96 116.57 119.91 2e9k h LYS 108 Ca 0.58 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.36 2e9k h LYS 108 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2e9k h LYS 108 CO -0.90 -0.05 -0.07 0.74 -0.57 0.00 0.00 179.45 178.60 2e9k h PHE 109 N -0.08 -0.17 -0.62 -1.35 0.04 -0.65 -0.29 116.94 113.82 2e9k h PHE 109 Ca 0.30 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 61.16 2e9k h PHE 109 Cb 0.58 0.06 -0.11 0.00 2.20 0.00 0.00 35.95 38.68 2e9k h PHE 109 CO -0.70 0.16 -0.47 -0.92 -0.60 0.00 0.00 178.31 175.77 2e9k h TYR 110 N -0.52 -1.41 -0.10 -0.55 3.20 -0.46 0.11 116.97 117.24 2e9k h TYR 110 Ca -0.02 0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2e9k h TYR 110 Cb 0.41 0.70 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2e9k h TYR 110 CO 0.03 -0.43 0.02 0.93 -1.64 0.00 0.00 178.16 177.08 2e9k h GLU 111 N -0.22 0.17 -0.76 1.82 5.08 -0.90 0.23 114.58 119.99 2e9k h GLU 111 Ca 0.17 -0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.65 2e9k h GLU 111 Cb 0.56 -0.02 -0.14 0.00 0.50 0.00 0.00 28.75 29.65 2e9k h GLU 111 CO -0.72 0.35 -0.06 1.25 -1.00 0.00 0.00 179.01 178.83 2e9k h LEU 112 N -0.05 -0.47 0.04 1.33 5.85 0.03 -1.28 115.31 120.77 2e9k h LEU 112 Ca 0.03 0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 2e9k h LEU 112 Cb 0.26 0.39 0.01 0.00 0.37 0.00 0.00 40.66 41.69 2e9k h LEU 112 CO 0.00 -0.21 -0.56 -0.26 -0.34 0.00 0.00 178.44 177.07 2e9k h PHE 113 N 0.06 0.49 -0.96 1.25 0.04 -0.72 -3.31 116.94 113.79 2e9k h PHE 113 Ca 0.40 -0.29 0.26 0.00 2.80 0.00 0.00 57.97 61.13 2e9k h PHE 113 Cb 0.68 -0.05 -0.18 0.00 2.20 0.00 0.00 35.95 38.61 2e9k h PHE 113 CO -0.48 1.14 0.03 -0.09 -0.60 0.00 0.00 178.31 178.31 2e9k h ARG 114 N -0.30 0.03 0.00 1.51 9.65 0.53 -3.44 114.38 122.36 2e9k h ARG 114 Ca -0.08 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2e9k h ARG 114 Cb 1.32 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 2e9k h ARG 114 CO 0.11 0.02 0.00 0.41 2.80 0.00 0.00 179.97 183.31 2e9k n GLY 115 N -1.49 2.06 3.79 2.80 0.00 -0.60 -5.08 105.19 106.68 2e9k n GLY 115 Ca 0.22 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2e9k n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e9k s THR 116 N 0.00 4.48 1.08 2.61 -4.23 -1.26 -4.96 115.64 113.36 2e9k s THR 116 Ca 0.00 1.50 -0.15 0.00 -1.18 0.00 0.00 61.69 61.86 2e9k s THR 116 Cb 0.00 -4.01 0.23 0.00 1.34 0.00 0.00 72.50 70.06 2e9k s THR 116 CO 0.00 0.41 1.10 -2.16 -0.54 0.00 0.00 174.62 173.43 2e9k s PRO 117 N -1.44 -0.27 -0.17 3.99 0.04 -1.26 -5.01 135.00 130.88 2e9k s PRO 117 Ca 0.37 0.27 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 2e9k s PRO 117 Cb -0.20 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2e9k s PRO 117 CO 0.23 -3.15 0.58 -0.51 0.04 0.00 0.00 177.00 174.20 2e9k s LEU 118 N -6.66 4.19 0.25 -3.56 1.43 -1.26 -5.05 118.68 108.02 2e9k s LEU 118 Ca 0.68 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 54.30 2e9k s LEU 118 Cb -0.15 -2.83 -0.09 0.00 0.03 0.00 0.00 46.19 43.15 2e9k s LEU 118 CO 0.57 -0.18 1.10 -0.60 0.23 0.00 0.00 176.35 177.47 2e9k s ARG 119 N 1.49 4.62 -0.42 1.70 3.52 -1.26 -4.96 118.95 123.64 2e9k s ARG 119 Ca 0.28 1.79 -0.28 0.00 -0.13 0.00 0.00 55.73 57.39 2e9k s ARG 119 Cb -0.16 -3.21 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 2e9k s ARG 119 CO 0.11 0.17 1.75 -1.25 -0.81 0.00 0.00 175.30 175.26 2e9k s PRO 120 N -1.11 3.18 0.00 5.12 0.04 -1.26 -5.35 135.00 135.62 2e9k s PRO 120 Ca 0.46 1.11 0.11 0.00 0.04 0.00 0.00 61.00 62.72 2e9k s PRO 120 Cb -0.31 -4.22 0.09 0.00 0.04 0.00 0.00 34.50 30.09 2e9k s PRO 120 CO 0.39 -2.05 0.84 0.28 0.04 0.00 0.00 177.00 176.51