#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9k s SER 2 N 0.00 1.45 0.46 1.61 0.01 -1.26 -5.16 113.70 110.81 2e9k s SER 2 Ca 0.00 -1.52 -0.04 0.00 1.31 0.00 0.00 55.95 55.70 2e9k s SER 2 Cb 0.00 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 2e9k s SER 2 CO 0.00 -0.85 0.75 -0.94 0.41 0.00 0.00 173.24 172.61 2e9k s SER 3 N -3.36 6.25 0.98 2.44 1.04 -1.26 -5.03 113.70 114.76 2e9k s SER 3 Ca 0.36 0.84 -0.16 0.00 0.48 0.00 0.00 55.95 57.48 2e9k s SER 3 Cb 0.06 -2.20 -0.09 0.00 0.10 0.00 0.00 66.02 63.89 2e9k s SER 3 CO 0.16 -0.54 -0.41 0.61 0.98 0.00 0.00 173.24 174.04 2e9k n GLY 4 N -2.19 -3.78 3.09 7.32 0.00 -1.26 -5.02 105.19 103.35 2e9k n GLY 4 Ca -0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9k s SER 5 N -1.34 0.43 0.17 1.61 0.15 -1.26 -5.12 113.70 108.34 2e9k s SER 5 Ca 0.46 -0.92 -0.33 0.00 0.70 0.00 0.00 55.95 55.86 2e9k s SER 5 Cb -0.19 0.21 -0.16 0.00 -1.71 0.00 0.00 66.02 64.17 2e9k s SER 5 CO 0.78 -0.59 1.08 -1.20 1.20 0.00 0.00 173.24 174.52 2e9k n SER 6 N 0.23 0.97 0.00 5.45 7.64 -1.26 -4.46 113.62 122.19 2e9k n SER 6 Ca -0.15 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.87 2e9k n SER 6 Cb 0.61 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 2e9k n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e9k n GLY 7 N 1.91 -0.83 3.35 0.23 0.00 -1.26 -5.00 105.19 103.58 2e9k n GLY 7 Ca 0.15 0.40 -0.21 0.00 0.00 0.00 0.00 46.02 46.37 2e9k n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2e9k n ASP 8 N 0.00 -5.67 -4.73 1.61 8.00 -1.26 -4.96 116.55 109.54 2e9k n ASP 8 Ca 0.00 -0.48 -0.41 0.00 0.71 0.00 0.00 54.79 54.61 2e9k n ASP 8 Cb 0.00 -4.52 -0.04 0.00 -0.02 0.00 0.00 41.12 36.54 2e9k n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2e9k s ILE 9 N -3.29 4.74 -0.01 0.53 1.09 -1.26 -4.99 121.20 118.02 2e9k s ILE 9 Ca 0.49 1.87 -0.22 0.00 -1.10 0.00 0.00 60.65 61.69 2e9k s ILE 9 Cb -0.22 -4.23 -0.13 0.00 -1.06 0.00 0.00 42.46 36.82 2e9k s ILE 9 CO 0.65 0.27 0.93 0.03 -0.10 0.00 0.00 174.94 176.72 2e9k h ARG 10 N 6.12 -0.60 -0.03 2.79 3.08 -2.05 -3.09 114.38 120.59 2e9k h ARG 10 Ca -0.42 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2e9k h ARG 10 Cb 1.21 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2e9k h ARG 10 CO 0.73 -0.33 0.00 -0.35 -1.07 0.00 0.00 179.97 178.95 2e9k n PRO 11 N -5.21 0.49 -0.05 0.04 -0.04 -1.26 -3.60 135.00 125.37 2e9k n PRO 11 Ca -0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.26 2e9k n PRO 11 Cb 0.29 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 2e9k n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2e9k h SER 12 N 0.03 0.25 0.09 3.54 0.87 -1.95 -1.17 113.55 115.21 2e9k h SER 12 Ca 0.00 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2e9k h SER 12 Cb 0.02 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2e9k h SER 12 CO 0.00 0.30 -0.04 0.11 -0.53 0.00 0.00 176.83 176.67 2e9k h LYS 13 N 0.19 -0.11 -0.02 2.24 6.56 -1.80 -2.51 116.57 121.11 2e9k h LYS 13 Ca 0.07 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.70 2e9k h LYS 13 Cb 0.11 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 31.74 2e9k h LYS 13 CO -0.01 0.13 -0.37 1.25 -2.06 0.00 0.00 179.45 178.39 2e9k h LEU 14 N -0.34 -1.13 -0.46 2.94 5.85 -1.78 -2.24 115.31 118.14 2e9k h LEU 14 Ca -0.01 0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.95 2e9k h LEU 14 Cb 0.29 0.45 -0.10 0.00 0.37 0.00 0.00 40.66 41.68 2e9k h LEU 14 CO 0.02 -0.42 -0.21 0.25 -0.34 0.00 0.00 178.44 177.74 2e9k h LEU 15 N -0.52 -0.72 -0.43 2.25 5.85 -1.23 -2.09 115.31 118.42 2e9k h LEU 15 Ca 0.06 0.17 0.05 0.00 0.84 0.00 0.00 57.88 59.00 2e9k h LEU 15 Cb 0.61 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 2e9k h LEU 15 CO -0.31 -0.24 -0.55 0.74 -0.34 0.00 0.00 178.44 177.75 2e9k h THR 16 N -0.11 0.01 -0.42 1.05 2.02 -0.95 0.18 112.91 114.69 2e9k h THR 16 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.48 2e9k h THR 16 Cb 0.45 0.01 -0.09 0.00 -1.74 0.00 0.00 68.15 66.78 2e9k h THR 16 CO -0.53 0.00 -0.23 -0.25 0.37 0.00 0.00 175.52 174.88 2e9k h TRP 17 N -0.38 -0.61 -0.16 3.16 7.01 -0.97 -1.55 115.95 122.46 2e9k h TRP 17 Ca 0.08 0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.18 2e9k h TRP 17 Cb 0.59 0.33 -0.05 0.00 -2.10 0.00 0.00 29.16 27.93 2e9k h TRP 17 CO -0.73 -0.31 -0.14 0.00 -2.79 0.00 0.00 178.44 174.47 2e9k h GLN 19 N -0.15 0.17 -0.18 0.00 4.20 0.26 -0.38 115.11 119.02 2e9k h GLN 19 Ca 0.10 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2e9k h GLN 19 Cb 0.30 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2e9k h GLN 19 CO -0.25 0.11 0.04 1.96 -0.67 0.00 0.00 178.83 180.02 2e9k h GLN 20 N 0.17 0.11 -0.30 1.46 4.20 -0.67 -2.50 115.11 117.59 2e9k h GLN 20 Ca 0.39 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.14 2e9k h GLN 20 Cb 0.67 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.37 2e9k h GLN 20 CO -0.56 0.07 0.01 1.96 -0.67 0.00 0.00 178.83 179.64 2e9k h GLN 21 N 0.11 0.10 -1.30 1.46 1.08 -0.55 -1.15 115.11 114.85 2e9k h GLN 21 Ca 0.08 -0.01 -0.17 0.00 -1.45 0.00 0.00 58.65 57.11 2e9k h GLN 21 Cb 0.07 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.40 2e9k h GLN 21 CO -0.11 0.06 0.21 0.25 -0.95 0.00 0.00 178.83 178.30 2e9k n THR 22 N -5.15 1.98 -2.92 -0.54 -2.24 -0.44 -4.82 114.28 100.15 2e9k n THR 22 Ca 0.00 -0.82 -0.40 0.00 -2.27 0.00 0.00 64.05 60.56 2e9k n THR 22 Cb 0.15 -1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 67.25 2e9k n THR 22 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2e9k s GLU 23 N -1.01 4.59 0.00 -0.78 2.56 -0.44 -3.89 118.70 119.73 2e9k s GLU 23 Ca 0.17 1.20 0.00 0.00 0.00 0.00 0.00 54.97 56.34 2e9k s GLU 23 Cb 0.14 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.95 2e9k s GLU 23 CO 0.02 0.40 0.00 0.41 -0.56 0.00 0.00 175.26 175.53 2e9k n GLY 24 N 1.99 2.08 2.89 -1.50 0.00 -1.26 -5.00 105.19 104.39 2e9k n GLY 24 Ca -0.03 -0.43 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 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 0.04 -2.93 1.61 4.02 -1.25 -4.88 117.16 113.76 2e9k n TYR 25 Ca 0.00 0.85 -0.37 0.00 -0.01 0.00 0.00 57.90 58.37 2e9k n TYR 25 Cb 0.00 -1.69 -0.06 0.00 -0.02 0.00 0.00 39.34 37.56 2e9k n TYR 25 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2e9k s GLN 26 N -0.44 4.43 -1.85 -0.72 -0.21 -1.26 -3.62 119.66 115.99 2e9k s GLN 26 Ca 0.64 1.11 0.00 0.00 0.02 0.00 0.00 55.36 57.13 2e9k s GLN 26 Cb -0.91 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 30.25 2e9k s GLN 26 CO 0.47 0.34 0.00 0.72 -2.12 0.00 0.00 175.29 174.70 2e9k n HIS 27 N 0.65 -0.60 -3.89 0.91 8.25 -1.26 -4.94 115.22 114.34 2e9k n HIS 27 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 2e9k n HIS 27 Cb 0.50 -3.55 -0.15 0.00 1.12 0.00 0.00 29.99 27.92 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 -2.81 1.61 -0.54 1.59 1.01 -1.24 -5.06 120.40 114.96 2e9k s VAL 28 Ca 0.00 -1.86 0.03 0.00 0.00 0.00 0.00 61.98 60.15 2e9k s VAL 28 Cb 0.00 -2.18 0.14 0.00 0.00 0.00 0.00 36.38 34.34 2e9k s VAL 28 CO 0.00 -0.60 0.29 0.54 0.00 0.00 0.00 175.10 175.33 2e9k s ASN 29 N 1.25 4.48 -0.12 3.32 4.22 -1.26 -4.83 114.94 122.00 2e9k s ASN 29 Ca 0.09 -2.99 -0.30 0.00 -2.14 0.00 0.00 52.86 47.53 2e9k s ASN 29 Cb -0.18 -1.68 -0.02 0.00 1.28 0.00 0.00 41.25 40.65 2e9k s ASN 29 CO -0.16 -0.25 1.16 -0.69 -2.04 0.00 0.00 177.10 175.12 2e9k s VAL 30 N -0.25 4.43 0.00 3.54 1.01 -1.26 -4.83 120.40 123.03 2e9k s VAL 30 Ca 0.17 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2e9k s VAL 30 Cb -0.25 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2e9k s VAL 30 CO -0.01 -0.06 0.00 1.07 0.00 0.00 0.00 175.10 176.10 2e9k n THR 31 N 4.92 0.00 -4.23 3.92 5.66 -1.26 -4.95 114.28 118.33 2e9k n THR 31 Ca 0.11 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.99 2e9k n THR 31 Cb 0.46 -0.38 -0.04 0.00 -1.55 0.00 0.00 70.33 68.82 2e9k n THR 31 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2e9k n ASP 32 N -1.30 0.59 -1.03 1.09 5.68 -1.26 -5.07 116.55 115.25 2e9k n ASP 32 Ca 0.00 -2.18 -0.03 0.00 -0.50 0.00 0.00 54.79 52.08 2e9k n ASP 32 Cb 0.21 0.68 0.15 0.00 -1.14 0.00 0.00 41.12 41.03 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2e9k n LEU 33 N 0.00 3.39 0.07 -2.12 4.77 -1.26 -4.37 117.00 117.48 2e9k n LEU 33 Ca -0.01 -4.16 0.00 0.00 -0.03 0.00 0.00 56.01 51.81 2e9k n LEU 33 Cb 0.33 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2e9k n LEU 33 CO 0.17 1.62 -0.06 0.35 -1.33 0.00 0.00 177.39 178.14 2e9k n THR 34 N -1.00 0.57 0.02 -5.08 -2.24 -1.26 -4.71 114.28 100.58 2e9k n THR 34 Ca 0.27 0.19 -0.22 0.00 -2.27 0.00 0.00 64.05 62.02 2e9k n THR 34 Cb 0.78 -1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 67.73 2e9k n THR 34 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2e9k h THR 35 N 0.00 0.99 -0.81 4.28 1.35 -1.88 -3.25 112.91 113.60 2e9k h THR 35 Ca 0.00 -2.42 0.20 0.00 -0.55 0.00 0.00 66.41 63.64 2e9k h THR 35 Cb 0.13 2.72 -0.05 0.00 -1.73 0.00 0.00 68.15 69.22 2e9k h THR 35 CO 0.00 0.75 0.56 0.28 -0.25 0.00 0.00 175.52 176.86 2e9k h SER 36 N -0.20 0.19 -0.63 5.36 0.02 -1.91 0.18 113.55 116.56 2e9k h SER 36 Ca -0.32 0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.27 2e9k h SER 36 Cb 1.85 -0.02 -0.22 0.00 0.14 0.00 0.00 62.40 64.15 2e9k h SER 36 CO 0.09 0.08 0.08 0.79 -1.14 0.00 0.00 176.83 176.73 2e9k n TRP 37 N -4.40 2.04 0.04 3.45 7.02 -1.25 -3.97 117.44 120.37 2e9k n TRP 37 Ca 0.17 -1.99 -0.21 0.00 -1.02 0.00 0.00 57.50 54.44 2e9k n TRP 37 Cb 0.74 -0.71 -0.14 0.00 -2.42 0.00 0.00 31.31 28.78 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 1.35 0.32 0.15 -0.99 0.11 -0.67 -3.39 114.38 111.27 2e9k h ARG 38 Ca 0.38 -0.55 -0.35 0.00 0.10 0.00 0.00 59.98 59.56 2e9k h ARG 38 Cb 1.71 0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.98 2e9k h ARG 38 CO 0.77 1.23 -1.84 1.03 0.10 0.00 0.00 179.97 181.26 2e9k h SER 39 N 0.09 0.50 0.00 0.08 0.87 -1.81 -3.36 113.55 109.92 2e9k h SER 39 Ca -0.36 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.32 2e9k h SER 39 Cb 2.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.87 2e9k h SER 39 CO 0.14 1.77 0.00 0.61 -0.53 0.00 0.00 176.83 178.82 2e9k n GLY 40 N 1.90 2.38 0.28 5.77 0.00 -1.26 -3.35 105.19 110.90 2e9k n GLY 40 Ca -0.27 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.19 -0.12 0.99 4.77 -1.26 -0.36 117.00 120.84 2e9k n LEU 41 Ca 0.00 1.34 -0.08 0.00 -0.03 0.00 0.00 56.01 57.24 2e9k n LEU 41 Cb 0.00 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2e9k n LEU 41 CO 0.00 -1.32 0.50 0.00 -1.33 0.00 0.00 177.39 175.23 2e9k h ALA 42 N 1.57 -0.55 0.49 -1.18 0.00 -1.94 0.23 119.26 117.88 2e9k h ALA 42 Ca 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2e9k h ALA 42 Cb 0.78 1.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2e9k h ALA 42 CO -0.77 -0.73 -0.23 1.25 0.00 0.00 0.00 179.25 178.76 2e9k h LEU 43 N -0.20 -0.56 -1.52 0.00 5.85 -1.01 -2.61 115.31 115.27 2e9k h LEU 43 Ca 0.05 -0.02 0.42 0.00 0.84 0.00 0.00 57.88 59.17 2e9k h LEU 43 Cb 0.34 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.41 2e9k h LEU 43 CO -0.40 -0.34 0.89 0.00 -0.34 0.00 0.00 178.44 178.25 2e9k h ALA 45 N 1.52 0.11 0.34 0.00 0.00 -0.14 -0.46 119.26 120.63 2e9k h ALA 45 Ca 0.78 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.62 2e9k h ALA 45 Cb 2.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.27 2e9k h ALA 45 CO -0.32 -0.34 -0.27 0.82 0.00 0.00 0.00 179.25 179.14 2e9k h ILE 46 N 0.03 0.43 0.50 0.00 2.04 -0.11 -2.34 117.51 118.05 2e9k h ILE 46 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 2e9k h ILE 46 Cb 0.10 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2e9k h ILE 46 CO -0.00 0.00 -0.43 0.40 0.00 0.00 0.00 178.15 178.11 2e9k h ILE 47 N -0.62 0.00 -0.93 -0.67 2.04 -1.44 -2.72 117.51 113.18 2e9k h ILE 47 Ca -0.03 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.03 2e9k h ILE 47 Cb 0.54 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.44 2e9k h ILE 47 CO -0.01 0.00 -0.20 1.57 0.00 0.00 0.00 178.15 179.50 2e9k n HIS 48 N -5.06 0.36 -0.18 1.37 -0.00 -0.18 -0.08 115.22 111.45 2e9k n HIS 48 Ca -0.11 1.13 -0.09 0.00 0.46 0.00 0.00 57.72 59.11 2e9k n HIS 48 Cb 0.41 -1.06 -0.04 0.00 -0.12 0.00 0.00 29.99 29.18 2e9k n HIS 48 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2e9k h ARG 49 N 0.00 -0.25 0.26 1.57 9.65 -1.09 0.31 114.38 124.82 2e9k h ARG 49 Ca 0.46 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.34 2e9k h ARG 49 Cb 0.73 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 2e9k h ARG 49 CO -0.95 -0.17 -0.12 0.74 2.80 0.00 0.00 179.97 182.27 2e9k h PHE 50 N -0.26 -0.32 -3.12 2.20 -1.00 -0.44 -3.40 116.94 110.60 2e9k h PHE 50 Ca 0.16 -0.01 -0.62 0.00 2.81 0.00 0.00 57.97 60.31 2e9k h PHE 50 Cb 0.57 0.11 -0.40 0.00 3.61 0.00 0.00 35.95 39.83 2e9k h PHE 50 CO -0.68 0.04 -0.70 1.03 -1.61 0.00 0.00 178.31 176.39 2e9k s ARG 51 N -4.22 1.56 0.00 1.51 1.81 0.60 -4.94 118.95 115.27 2e9k s ARG 51 Ca -0.14 -2.27 0.15 0.00 -1.72 0.00 0.00 55.73 51.75 2e9k s ARG 51 Cb 0.02 -2.70 0.72 0.00 -0.45 0.00 0.00 34.95 32.53 2e9k s ARG 51 CO 0.52 -1.15 1.41 -0.35 -0.68 0.00 0.00 175.30 175.05 2e9k n PRO 52 N 3.32 0.17 0.12 3.54 -0.04 0.10 -2.66 135.00 139.55 2e9k n PRO 52 Ca 0.08 0.17 -0.21 0.00 -0.04 0.00 0.00 63.50 63.50 2e9k n PRO 52 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 2e9k n PRO 52 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2e9k h GLU 53 N 0.00 0.42 -0.35 0.54 4.81 -1.92 -3.34 114.58 114.75 2e9k h GLU 53 Ca 0.00 -0.73 -0.10 0.00 -0.13 0.00 0.00 59.36 58.41 2e9k h GLU 53 Cb 0.16 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2e9k h GLU 53 CO 0.00 1.34 -0.15 -0.07 -0.73 0.00 0.00 179.01 179.40 2e9k h LEU 54 N 0.12 0.74 -8.39 1.64 3.38 -1.89 -3.44 115.31 107.46 2e9k h LEU 54 Ca -0.23 -0.40 -0.57 0.00 0.09 0.00 0.00 57.88 56.78 2e9k h LEU 54 Cb 2.09 -0.20 -0.29 0.00 0.09 0.00 0.00 40.66 42.35 2e9k h LEU 54 CO 0.24 0.97 -0.84 -0.63 0.09 0.00 0.00 178.44 178.27 2e9k s ILE 55 N -4.64 1.50 -0.82 1.22 1.01 -1.24 -5.04 121.20 113.19 2e9k s ILE 55 Ca -0.13 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.67 2e9k s ILE 55 Cb 0.09 -1.26 0.20 0.00 0.01 0.00 0.00 42.46 41.51 2e9k s ILE 55 CO 0.82 0.38 0.68 0.59 0.00 0.00 0.00 174.94 177.40 2e9k n ASN 56 N 2.49 3.77 -0.34 3.58 4.13 -1.26 -4.54 115.26 123.08 2e9k n ASN 56 Ca -0.15 -3.17 0.13 0.00 1.68 0.00 0.00 54.58 53.06 2e9k n ASN 56 Cb 0.53 -0.93 0.27 0.00 -1.54 0.00 0.00 39.78 38.11 2e9k n ASN 56 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2e9k h PHE 57 N 5.71 -0.09 -0.92 3.10 3.04 -1.89 1.37 116.94 127.25 2e9k h PHE 57 Ca 0.16 0.07 0.10 0.00 3.98 0.00 0.00 57.97 62.28 2e9k h PHE 57 Cb 0.78 0.20 -0.07 0.00 2.56 0.00 0.00 35.95 39.42 2e9k h PHE 57 CO 0.71 -0.42 0.59 0.22 -2.02 0.00 0.00 178.31 177.39 2e9k h ASP 58 N 0.02 0.85 0.79 0.41 1.82 -1.99 -1.62 116.42 116.69 2e9k h ASP 58 Ca 0.58 0.03 -0.25 0.00 -0.39 0.00 0.00 57.03 56.99 2e9k h ASP 58 Cb 1.15 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2e9k h ASP 58 CO -0.91 0.50 -1.15 -1.28 -1.61 0.00 0.00 179.24 174.78 2e9k h SER 59 N 0.93 0.23 -1.95 2.28 0.87 0.12 -3.45 113.55 112.58 2e9k h SER 59 Ca 0.43 -0.25 -0.62 0.00 -1.23 0.00 0.00 61.79 60.12 2e9k h SER 59 Cb 0.40 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2e9k h SER 59 CO -0.19 1.20 1.14 0.18 -0.53 0.00 0.00 176.83 178.63 2e9k n LEU 60 N -3.44 3.34 -4.51 2.23 4.77 0.12 -4.94 117.00 114.57 2e9k n LEU 60 Ca -0.05 0.90 -0.38 0.00 -0.03 0.00 0.00 56.01 56.45 2e9k n LEU 60 Cb 0.99 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 2e9k n LEU 60 CO 0.51 -0.13 -0.19 0.21 -1.33 0.00 0.00 177.39 176.45 2e9k s ASN 61 N 4.51 5.71 0.28 -1.43 3.04 -1.26 -4.95 114.94 120.84 2e9k s ASN 61 Ca 0.94 -0.27 -0.06 0.00 0.04 0.00 0.00 52.86 53.52 2e9k s ASN 61 Cb -0.69 -2.05 0.51 0.00 -1.54 0.00 0.00 41.25 37.48 2e9k s ASN 61 CO 0.51 -0.12 1.53 -1.84 -3.04 0.00 0.00 177.10 174.14 2e9k n GLU 62 N 5.02 -0.09 -0.24 0.43 0.28 -1.26 0.20 120.64 124.98 2e9k n GLU 62 Ca -0.14 1.51 0.10 0.00 -0.16 0.00 0.00 57.16 58.47 2e9k n GLU 62 Cb 0.51 -2.29 0.36 0.00 1.43 0.00 0.00 31.44 31.45 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2e9k h ASP 63 N 0.00 0.67 -0.08 -1.84 3.58 -2.01 -1.62 116.42 115.13 2e9k h ASP 63 Ca 0.50 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.91 2e9k h ASP 63 Cb 0.82 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 2e9k h ASP 63 CO -0.99 0.38 0.05 0.47 -2.88 0.00 0.00 179.24 176.28 2e9k n ASP 64 N -4.52 5.53 -0.21 2.28 9.92 0.53 -4.53 116.55 125.55 2e9k n ASP 64 Ca 0.15 -2.52 0.02 0.00 -0.53 0.00 0.00 54.79 51.90 2e9k n ASP 64 Cb 0.37 -1.13 0.11 0.00 -0.64 0.00 0.00 41.12 39.83 2e9k n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9k h ALA 65 N 1.17 0.68 -0.42 2.24 0.00 -1.33 0.69 119.26 122.28 2e9k h ALA 65 Ca 0.06 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2e9k h ALA 65 Cb 1.01 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 2e9k h ALA 65 CO 0.13 -0.37 -0.27 0.28 0.00 0.00 0.00 179.25 179.03 2e9k h VAL 66 N 0.17 0.30 -0.18 0.00 2.07 -1.83 0.19 116.25 116.96 2e9k h VAL 66 Ca 0.33 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 2e9k h VAL 66 Cb 0.54 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2e9k h VAL 66 CO -0.49 0.00 0.02 -0.33 0.02 0.00 0.00 177.57 176.79 2e9k h GLU 67 N -0.19 0.31 -0.10 1.57 4.39 -1.67 -2.03 114.58 116.86 2e9k h GLU 67 Ca 0.19 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.85 2e9k h GLU 67 Cb 0.50 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 2e9k h GLU 67 CO -0.53 0.48 -0.34 -0.91 -1.16 0.00 0.00 179.01 176.55 2e9k h ASN 68 N 0.09 -1.04 0.47 1.42 2.35 -0.12 0.17 115.58 118.91 2e9k h ASN 68 Ca 0.06 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2e9k h ASN 68 Cb 0.32 0.44 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 2e9k h ASN 68 CO 0.00 -0.38 -0.31 0.78 -1.65 0.00 0.00 177.43 175.88 2e9k h ASN 69 N -0.43 -0.80 -1.01 5.81 2.35 -0.66 -1.68 115.58 119.16 2e9k h ASN 69 Ca 0.09 0.05 0.32 0.00 -0.55 0.00 0.00 56.30 56.21 2e9k h ASN 69 Cb 0.56 0.24 -0.15 0.00 0.05 0.00 0.00 38.32 39.03 2e9k h ASN 69 CO -0.34 -0.46 0.58 -0.61 -1.65 0.00 0.00 177.43 174.94 2e9k h GLN 70 N -0.74 0.32 0.35 0.81 5.75 -1.25 -1.64 115.11 118.72 2e9k h GLN 70 Ca -0.06 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 2e9k h GLN 70 Cb 0.60 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2e9k h GLN 70 CO 0.05 0.21 -0.17 1.25 -2.65 0.00 0.00 178.83 177.52 2e9k h LEU 71 N 0.33 -0.40 -0.95 -2.39 5.85 -0.28 0.47 115.31 117.94 2e9k h LEU 71 Ca 0.73 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.76 2e9k h LEU 71 Cb 1.68 0.10 -0.17 0.00 0.37 0.00 0.00 40.66 42.64 2e9k h LEU 71 CO -0.59 -0.28 0.21 0.00 -0.34 0.00 0.00 178.44 177.44 2e9k h ALA 72 N -1.77 1.42 0.34 1.25 0.00 -0.44 0.26 119.26 120.33 2e9k h ALA 72 Ca -0.05 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2e9k h ALA 72 Cb 0.36 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2e9k h ALA 72 CO 0.08 -0.61 -0.16 0.74 0.00 0.00 0.00 179.25 179.29 2e9k h PHE 73 N 0.08 -0.42 -0.69 0.00 0.04 -1.23 -0.36 116.94 114.37 2e9k h PHE 73 Ca 0.64 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.50 2e9k h PHE 73 Cb 1.41 0.14 -0.08 0.00 2.20 0.00 0.00 35.95 39.62 2e9k h PHE 73 CO -0.31 -0.13 0.31 -0.44 -0.60 0.00 0.00 178.31 177.14 2e9k h ASP 74 N -0.69 0.37 -0.53 2.17 5.19 0.14 0.31 116.42 123.38 2e9k h ASP 74 Ca -0.05 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 2e9k h ASP 74 Cb 0.48 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 2e9k h ASP 74 CO 0.08 0.20 0.04 0.58 -3.12 0.00 0.00 179.24 177.02 2e9k h VAL 75 N 0.52 1.26 0.00 -1.35 2.07 -0.55 0.24 116.25 118.44 2e9k h VAL 75 Ca 0.35 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2e9k h VAL 75 Cb 0.41 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2e9k h VAL 75 CO -0.30 0.38 -0.20 0.00 0.02 0.00 0.00 177.57 177.47 2e9k h ALA 76 N 1.14 0.96 0.00 1.67 0.00 0.20 0.23 119.26 123.45 2e9k h ALA 76 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2e9k h ALA 76 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2e9k h ALA 76 CO 0.02 0.26 -0.94 -1.91 0.00 0.00 0.00 179.25 176.67 2e9k n GLU 77 N -3.27 0.12 -0.09 0.00 2.13 0.97 -0.97 120.64 119.52 2e9k n GLU 77 Ca 0.01 -0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2e9k n GLU 77 Cb 0.48 -1.53 -0.12 0.00 0.27 0.00 0.00 31.44 30.54 2e9k n GLU 77 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2e9k n ARG 78 N -1.67 1.00 -0.07 5.31 5.12 0.81 -3.26 116.66 123.89 2e9k n ARG 78 Ca 0.03 0.04 -0.22 0.00 -1.93 0.00 0.00 57.85 55.77 2e9k n ARG 78 Cb 0.37 -1.42 -0.12 0.00 -1.16 0.00 0.00 32.46 30.13 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2e9k n GLU 79 N -2.81 0.65 -0.02 5.56 -0.58 0.78 -4.51 120.64 119.71 2e9k n GLU 79 Ca -0.31 0.37 0.05 0.00 -0.42 0.00 0.00 57.16 56.84 2e9k n GLU 79 Cb 0.98 -1.67 -0.14 0.00 -0.57 0.00 0.00 31.44 30.04 2e9k n GLU 79 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2e9k n PHE 80 N -3.93 0.19 -2.11 -0.32 3.01 -1.07 -5.00 117.46 108.24 2e9k n PHE 80 Ca -0.37 0.06 -0.03 0.00 1.01 0.00 0.00 57.45 58.12 2e9k n PHE 80 Cb 0.88 -0.73 -0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2e9k n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2e9k n GLY 81 N 1.39 0.28 3.59 1.37 0.00 -0.28 -4.94 105.19 106.60 2e9k n GLY 81 Ca -0.11 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.23 5.30 0.01 -0.61 1.01 -0.14 -4.88 121.20 119.65 2e9k s ILE 82 Ca 0.01 0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2e9k s ILE 82 Cb -0.00 -3.55 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 2e9k s ILE 82 CO 0.01 0.22 1.44 -2.16 0.00 0.00 0.00 174.94 174.46 2e9k s PRO 83 N 1.78 4.27 0.40 2.79 0.04 -1.26 -3.48 135.00 139.52 2e9k s PRO 83 Ca 0.07 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2e9k s PRO 83 Cb -0.16 -3.59 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 2e9k s PRO 83 CO 0.11 -0.61 1.19 -1.25 0.04 0.00 0.00 177.00 176.48 2e9k s PRO 84 N 2.51 4.06 0.10 0.56 0.04 -1.26 -4.96 135.00 136.05 2e9k s PRO 84 Ca 0.65 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.64 2e9k s PRO 84 Cb -0.32 -2.71 -0.23 0.00 0.04 0.00 0.00 34.50 31.28 2e9k s PRO 84 CO 0.27 -0.33 1.19 -0.39 0.04 0.00 0.00 177.00 177.79 2e9k h VAL 85 N 2.38 1.60 -3.94 -0.36 -1.51 -1.96 -3.46 116.25 109.00 2e9k h VAL 85 Ca -0.49 -3.29 -0.26 0.00 -1.23 0.00 0.00 66.70 61.44 2e9k h VAL 85 Cb 1.24 2.84 -0.20 0.00 -2.13 0.00 0.00 31.29 33.03 2e9k h VAL 85 CO 0.63 0.92 -0.73 0.28 -1.23 0.00 0.00 177.57 177.44 2e9k s THR 86 N -2.69 0.56 -0.11 7.19 -1.32 -1.26 -5.14 115.64 112.87 2e9k s THR 86 Ca -0.01 -1.26 -0.15 0.00 -1.21 0.00 0.00 61.69 59.06 2e9k s THR 86 Cb 0.09 -0.84 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 2e9k s THR 86 CO 0.83 -0.49 0.35 0.42 -2.21 0.00 0.00 174.62 173.52 2e9k s THR 87 N -1.87 5.23 0.22 5.08 -4.23 -1.26 -4.90 115.64 113.90 2e9k s THR 87 Ca -0.05 0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 61.10 2e9k s THR 87 Cb -0.07 -3.68 0.34 0.00 1.34 0.00 0.00 72.50 70.43 2e9k s THR 87 CO -0.01 0.43 1.16 0.61 -0.54 0.00 0.00 174.62 176.28 2e9k n GLY 88 N 2.92 -1.19 0.25 3.99 0.00 -1.26 -0.21 105.19 109.69 2e9k n GLY 88 Ca -0.12 0.78 -0.07 0.00 0.00 0.00 0.00 46.02 46.61 2e9k n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2e9k h LYS 89 N 0.00 -0.18 -0.24 1.61 3.11 -1.93 -0.04 116.57 118.90 2e9k h LYS 89 Ca 0.38 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 58.21 2e9k h LYS 89 Cb 0.65 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.91 2e9k h LYS 89 CO -0.75 -0.12 0.03 1.49 -2.81 0.00 0.00 179.45 177.29 2e9k h GLU 90 N -0.19 0.40 -0.92 1.90 4.22 -1.22 -2.74 114.58 116.03 2e9k h GLU 90 Ca 0.05 -0.11 0.16 0.00 0.08 0.00 0.00 59.36 59.53 2e9k h GLU 90 Cb 0.31 -0.04 -0.16 0.00 0.50 0.00 0.00 28.75 29.36 2e9k h GLU 90 CO -0.35 0.55 -0.33 1.98 -2.18 0.00 0.00 179.01 178.67 2e9k h MET 91 N 0.20 -0.02 -0.57 1.92 4.05 -0.06 0.58 114.93 121.03 2e9k h MET 91 Ca 0.07 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.41 2e9k h MET 91 Cb 0.34 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 2e9k h MET 91 CO 0.01 -0.01 0.01 0.00 0.23 0.00 0.00 176.91 177.14 2e9k h ALA 92 N 1.51 0.95 0.64 0.39 0.00 -0.97 -3.24 119.26 118.52 2e9k h ALA 92 Ca 0.36 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2e9k h ALA 92 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2e9k h ALA 92 CO -0.94 0.64 -0.42 0.77 0.00 0.00 0.00 179.25 179.30 2e9k h SER 93 N 0.90 -1.07 -2.06 0.00 0.02 0.36 -3.41 113.55 108.28 2e9k h SER 93 Ca 0.17 0.06 -0.62 0.00 -0.84 0.00 0.00 61.79 60.56 2e9k h SER 93 Cb 0.51 0.32 0.03 0.00 0.14 0.00 0.00 62.40 63.40 2e9k h SER 93 CO 0.02 -0.63 0.94 0.00 -1.14 0.00 0.00 176.83 176.02 2e9k n ALA 94 N -2.65 0.87 0.03 3.77 0.00 0.15 -4.89 120.51 117.79 2e9k n ALA 94 Ca -0.12 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 2e9k n ALA 94 Cb 0.42 -2.40 -0.09 0.00 0.00 0.00 0.00 19.45 17.38 2e9k n ALA 94 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2e9k h GLN 95 N 7.59 -0.11 -4.28 0.00 4.15 -1.85 -3.42 115.11 117.18 2e9k h GLN 95 Ca -0.47 0.01 -0.62 0.00 0.77 0.00 0.00 58.65 58.33 2e9k h GLN 95 Cb 1.27 0.03 -0.39 0.00 0.21 0.00 0.00 27.48 28.59 2e9k h GLN 95 CO 0.92 0.32 -0.75 -2.00 -1.93 0.00 0.00 178.83 175.39 2e9k s GLU 96 N -4.23 1.35 0.77 1.69 2.12 -1.26 -4.83 118.70 114.31 2e9k s GLU 96 Ca -0.15 -1.36 -0.13 0.00 0.36 0.00 0.00 54.97 53.69 2e9k s GLU 96 Cb 0.02 -2.67 0.19 0.00 0.26 0.00 0.00 34.13 31.93 2e9k s GLU 96 CO 0.62 -0.83 0.68 -0.35 -0.54 0.00 0.00 175.26 174.83 2e9k n PRO 97 N 4.55 -2.36 -2.93 4.30 -0.04 -1.26 -4.96 135.00 132.30 2e9k n PRO 97 Ca -0.03 -1.09 -0.43 0.00 -0.04 0.00 0.00 63.50 61.91 2e9k n PRO 97 Cb 0.43 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.82 2e9k n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2e9k s ASP 98 N -3.34 6.28 0.33 3.54 1.01 -1.26 -4.91 116.67 118.32 2e9k s ASP 98 Ca 0.44 -0.61 0.17 0.00 0.71 0.00 0.00 52.55 53.26 2e9k s ASP 98 Cb -0.04 -2.39 1.16 0.00 1.01 0.00 0.00 42.92 42.66 2e9k s ASP 98 CO 0.34 -1.16 1.43 1.17 0.21 0.00 0.00 175.17 177.15 2e9k n LYS 99 N 7.12 -0.06 0.12 8.23 4.81 -1.26 -0.90 118.16 136.22 2e9k n LYS 99 Ca -0.02 1.26 -0.05 0.00 -0.87 0.00 0.00 58.31 58.64 2e9k n LYS 99 Cb 0.46 -2.24 -0.02 0.00 0.02 0.00 0.00 35.03 33.26 2e9k n LYS 99 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2e9k h LEU 100 N 0.00 -0.26 -0.94 3.14 -0.00 -1.92 -0.21 115.31 115.12 2e9k h LEU 100 Ca 0.75 0.01 0.31 0.00 -0.00 0.00 0.00 57.88 58.95 2e9k h LEU 100 Cb 1.94 0.07 -0.17 0.00 -0.00 0.00 0.00 40.66 42.49 2e9k h LEU 100 CO -0.71 -0.19 0.21 -0.24 -0.00 0.00 0.00 178.44 177.51 2e9k n SER 101 N -2.84 0.06 -0.03 -0.43 2.88 -0.08 0.86 113.62 114.05 2e9k n SER 101 Ca -0.04 1.58 -0.12 0.00 -1.33 0.00 0.00 58.87 58.96 2e9k n SER 101 Cb 0.12 -0.65 -0.07 0.00 -0.75 0.00 0.00 64.21 62.86 2e9k n SER 101 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2e9k h MET 102 N 0.00 0.16 0.08 -1.46 2.86 -1.27 -0.32 114.93 114.98 2e9k h MET 102 Ca 0.66 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.25 2e9k h MET 102 Cb 1.54 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.18 2e9k h MET 102 CO -0.82 0.39 -0.04 0.28 1.06 0.00 0.00 176.91 177.78 2e9k h VAL 103 N -0.09 0.92 -0.89 -2.22 2.07 0.24 0.22 116.25 116.49 2e9k h VAL 103 Ca 0.03 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2e9k h VAL 103 Cb 0.31 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 2e9k h VAL 103 CO 0.00 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.15 2e9k h MET 104 N -0.11 1.19 -0.24 1.57 -0.00 -0.52 -2.33 114.93 114.49 2e9k h MET 104 Ca -0.01 -0.09 -0.07 0.00 -0.00 0.00 0.00 59.70 59.52 2e9k h MET 104 Cb 0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 31.60 31.42 2e9k h MET 104 CO 0.02 0.82 -0.12 -0.92 -0.00 0.00 0.00 176.91 176.70 2e9k h TYR 105 N 1.22 0.59 -0.19 -0.10 3.20 -0.72 -3.23 116.97 117.74 2e9k h TYR 105 Ca 0.32 -0.15 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2e9k h TYR 105 Cb -0.08 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.00 2e9k h TYR 105 CO 0.00 0.78 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.08 2e9k h LEU 106 N 0.23 -0.50 -1.08 2.82 3.38 -0.26 -1.42 115.31 118.48 2e9k h LEU 106 Ca 0.05 0.10 0.43 0.00 0.09 0.00 0.00 57.88 58.55 2e9k h LEU 106 Cb 0.63 0.25 -0.17 0.00 0.09 0.00 0.00 40.66 41.46 2e9k h LEU 106 CO 0.04 -0.20 0.61 -1.54 0.09 0.00 0.00 178.44 177.44 2e9k n SER 107 N -5.31 0.32 -0.30 -0.43 3.41 -0.90 0.40 113.62 110.81 2e9k n SER 107 Ca -0.02 1.59 0.09 0.00 -0.26 0.00 0.00 58.87 60.28 2e9k n SER 107 Cb 0.23 -0.78 0.21 0.00 -0.26 0.00 0.00 64.21 63.61 2e9k n SER 107 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2e9k h LYS 108 N 0.00 0.07 0.00 4.33 1.79 -1.35 0.18 116.57 121.59 2e9k h LYS 108 Ca 0.85 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 59.23 2e9k h LYS 108 Cb 2.37 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.99 2e9k h LYS 108 CO -0.70 0.05 -0.51 0.74 -1.08 0.00 0.00 179.45 177.95 2e9k h PHE 109 N 0.07 0.00 -0.99 -1.35 0.04 -0.20 -3.23 116.94 111.28 2e9k h PHE 109 Ca 0.50 0.00 0.15 0.00 2.80 0.00 0.00 57.97 61.41 2e9k h PHE 109 Cb 0.93 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.93 2e9k h PHE 109 CO -0.46 1.11 -0.41 0.98 -0.60 0.00 0.00 178.31 178.93 2e9k n TYR 110 N -4.55 -0.03 0.47 -0.55 9.36 -0.82 -0.24 117.16 120.80 2e9k n TYR 110 Ca -0.18 1.22 -0.20 0.00 3.32 0.00 0.00 57.90 62.06 2e9k n TYR 110 Cb 0.53 -0.83 -0.10 0.00 -0.63 0.00 0.00 39.34 38.31 2e9k n TYR 110 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2e9k h GLU 111 N 0.00 -1.13 -0.43 2.98 5.08 -1.15 0.33 114.58 120.27 2e9k h GLU 111 Ca 0.32 0.08 0.05 0.00 -1.00 0.00 0.00 59.36 58.81 2e9k h GLU 111 Cb 0.57 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 2e9k h GLU 111 CO -0.98 -0.75 -0.50 1.25 -1.00 0.00 0.00 179.01 177.03 2e9k h LEU 112 N -1.18 -1.69 0.12 1.33 5.85 -1.16 -2.07 115.31 116.52 2e9k h LEU 112 Ca -0.12 0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2e9k h LEU 112 Cb 0.90 0.70 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2e9k h LEU 112 CO 0.20 -0.34 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.56 2e9k h PHE 113 N -0.31 -0.34 -2.19 1.25 0.04 -0.62 -3.38 116.94 111.38 2e9k h PHE 113 Ca 0.07 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.32 2e9k h PHE 113 Cb 0.51 0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 2e9k h PHE 113 CO -0.75 -0.20 1.36 0.50 -0.60 0.00 0.00 178.31 178.61 2e9k s ARG 114 N -6.14 2.83 -1.08 1.51 3.52 0.12 -4.90 118.95 114.80 2e9k s ARG 114 Ca -0.15 1.00 -0.05 0.00 -0.13 0.00 0.00 55.73 56.40 2e9k s ARG 114 Cb 0.07 -4.34 0.30 0.00 -1.56 0.00 0.00 34.95 29.42 2e9k s ARG 114 CO 0.66 -2.47 1.38 0.41 -0.81 0.00 0.00 175.30 174.46 2e9k n GLY 115 N 5.63 4.95 2.96 8.12 0.00 -1.26 -4.71 105.19 120.88 2e9k n GLY 115 Ca 0.23 -2.65 -0.15 0.00 0.00 0.00 0.00 46.02 43.45 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2e9k s THR 116 N -2.46 0.37 -0.29 2.61 -1.32 -1.26 -5.11 115.64 108.18 2e9k s THR 116 Ca 0.31 -0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 60.23 2e9k s THR 116 Cb 0.02 -0.33 -0.02 0.00 -1.51 0.00 0.00 72.50 70.66 2e9k s THR 116 CO 0.06 0.06 1.66 -2.16 -2.21 0.00 0.00 174.62 172.03 2e9k s PRO 117 N -0.23 3.58 0.60 7.08 0.04 -1.26 -4.99 135.00 139.82 2e9k s PRO 117 Ca 0.01 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.35 2e9k s PRO 117 Cb -0.02 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2e9k s PRO 117 CO -0.00 -1.55 1.08 -0.48 0.04 0.00 0.00 177.00 176.09 2e9k s LEU 118 N 5.89 3.52 -0.05 -3.56 0.05 -1.26 -5.04 118.68 118.23 2e9k s LEU 118 Ca 0.73 1.93 -0.11 0.00 0.05 0.00 0.00 54.13 56.74 2e9k s LEU 118 Cb -0.22 -4.55 -0.05 0.00 -2.05 0.00 0.00 46.19 39.32 2e9k s LEU 118 CO 0.31 -1.29 0.28 0.00 -0.55 0.00 0.00 176.35 175.10 2e9k s ARG 119 N -3.91 3.69 0.17 1.48 1.70 -1.26 -5.06 118.95 115.76 2e9k s ARG 119 Ca 0.66 0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 55.76 2e9k s ARG 119 Cb -0.19 -3.20 -0.08 0.00 -0.57 0.00 0.00 34.95 30.91 2e9k s ARG 119 CO 0.36 0.73 1.32 -1.25 -1.08 0.00 0.00 175.30 175.37 2e9k s PRO 120 N -1.09 4.38 0.00 3.89 0.04 -1.26 -5.34 135.00 135.62 2e9k s PRO 120 Ca 0.20 2.04 0.31 0.00 0.04 0.00 0.00 61.00 63.59 2e9k s PRO 120 Cb -0.14 -3.21 1.72 0.00 0.04 0.00 0.00 34.50 32.90 2e9k s PRO 120 CO 0.09 -0.29 2.12 0.28 0.04 0.00 0.00 177.00 179.25