#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 1.76 0.09 1.61 1.04 -1.26 -5.15 113.70 111.79 2e9k s SER 2 Ca 0.00 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.80 2e9k s SER 2 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2e9k s SER 2 CO 0.00 -0.09 0.12 -0.55 0.98 0.00 0.00 173.24 173.71 2e9k s SER 3 N -1.88 5.73 0.00 7.02 0.15 -1.26 -5.03 113.70 118.43 2e9k s SER 3 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2e9k s SER 3 Cb -0.09 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 2e9k s SER 3 CO 0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2e9k n GLY 4 N 0.26 2.09 3.64 9.45 0.00 -1.26 -5.18 105.19 114.18 2e9k n GLY 4 Ca -0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.65 -0.15 1.61 0.15 -1.26 -5.16 113.70 108.24 2e9k s SER 5 Ca 0.00 1.15 -0.02 0.00 0.70 0.00 0.00 55.95 57.78 2e9k s SER 5 Cb 0.00 1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 65.50 2e9k s SER 5 CO 0.00 -0.19 -0.08 -0.55 1.20 0.00 0.00 173.24 173.62 2e9k s SER 6 N 0.83 4.45 0.21 5.45 0.15 -1.26 -5.03 113.70 118.50 2e9k s SER 6 Ca -0.03 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.39 2e9k s SER 6 Cb -0.05 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 2e9k s SER 6 CO -0.09 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2e9k n GLY 7 N 3.58 -1.14 3.59 9.45 0.00 -1.26 -5.02 105.19 114.39 2e9k n GLY 7 Ca -0.18 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 2e9k n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2e9k s ASP 8 N -4.77 -0.15 -0.04 1.61 -1.08 -1.26 -5.15 116.67 105.83 2e9k s ASP 8 Ca 0.00 -0.02 -0.22 0.00 -0.52 0.00 0.00 52.55 51.79 2e9k s ASP 8 Cb 0.00 0.17 -0.05 0.00 -1.46 0.00 0.00 42.92 41.58 2e9k s ASP 8 CO 0.00 -0.28 0.64 -0.63 0.52 0.00 0.00 175.17 175.42 2e9k s ILE 9 N -2.49 4.98 -0.02 4.11 1.09 -1.26 -5.00 121.20 122.62 2e9k s ILE 9 Ca 0.10 1.32 -0.21 0.00 -1.10 0.00 0.00 60.65 60.76 2e9k s ILE 9 Cb -0.00 -3.98 -0.13 0.00 -1.06 0.00 0.00 42.46 37.29 2e9k s ILE 9 CO -0.05 0.33 0.93 0.03 -0.10 0.00 0.00 174.94 176.08 2e9k h ARG 10 N 6.23 -0.50 0.00 2.79 3.08 -2.03 -3.11 114.38 120.85 2e9k h ARG 10 Ca -0.43 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2e9k h ARG 10 Cb 1.20 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2e9k h ARG 10 CO 0.73 -0.20 0.00 -0.35 -1.07 0.00 0.00 179.97 179.08 2e9k n PRO 11 N -5.14 0.49 -0.04 0.04 -0.04 -1.26 -3.46 135.00 125.59 2e9k n PRO 11 Ca -0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.35 2e9k n PRO 11 Cb 0.27 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.00 0.00 -0.28 3.54 0.87 -1.96 -3.28 113.55 112.44 2e9k h SER 12 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 2e9k h SER 12 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2e9k h SER 12 CO 0.00 0.45 0.43 0.11 -0.53 0.00 0.00 176.83 177.29 2e9k h LYS 13 N -0.65 0.00 0.30 2.24 1.57 -1.65 -1.45 116.57 116.94 2e9k h LYS 13 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2e9k h LYS 13 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2e9k h LYS 13 CO 0.00 0.00 -0.14 1.25 -0.57 0.00 0.00 179.45 179.99 2e9k h LEU 14 N 0.00 -0.34 -0.84 2.94 5.85 -1.72 -2.66 115.31 118.54 2e9k h LEU 14 Ca 0.13 -0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.76 2e9k h LEU 14 Cb 0.99 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.03 2e9k h LEU 14 CO -0.00 0.11 0.48 0.25 -0.34 0.00 0.00 178.44 178.94 2e9k h LEU 15 N -0.90 0.68 0.58 2.25 5.85 -1.34 -2.08 115.31 120.35 2e9k h LEU 15 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2e9k h LEU 15 Cb 0.51 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2e9k h LEU 15 CO 0.07 0.37 -0.41 0.74 -0.34 0.00 0.00 178.44 178.87 2e9k h THR 16 N 0.79 0.00 -0.80 1.05 2.02 -1.49 0.27 112.91 114.75 2e9k h THR 16 Ca 0.42 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.79 2e9k h THR 16 Cb 0.41 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.70 2e9k h THR 16 CO -0.26 0.00 0.19 -0.25 0.37 0.00 0.00 175.52 175.56 2e9k h TRP 17 N -0.95 0.27 -0.55 3.16 7.01 -1.22 0.18 115.95 123.86 2e9k h TRP 17 Ca -0.08 0.05 -0.07 0.00 2.11 0.00 0.00 58.89 60.90 2e9k h TRP 17 Cb 0.78 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 2e9k h TRP 17 CO -0.12 -0.15 0.07 0.00 -2.79 0.00 0.00 178.44 175.45 2e9k h GLN 19 N 0.80 0.78 0.13 0.00 4.20 0.24 -1.66 115.11 119.59 2e9k h GLN 19 Ca 0.16 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2e9k h GLN 19 Cb 0.44 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2e9k h GLN 19 CO 0.01 0.52 -0.13 1.96 -0.67 0.00 0.00 178.83 180.53 2e9k h GLN 20 N 0.80 -0.27 -0.40 1.46 1.08 -0.85 0.48 115.11 117.41 2e9k h GLN 20 Ca 0.21 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.49 2e9k h GLN 20 Cb -0.08 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 2e9k h GLN 20 CO -0.05 -0.18 0.09 1.96 -0.95 0.00 0.00 178.83 179.71 2e9k h GLN 21 N -0.28 0.22 -0.00 1.46 1.08 -1.29 -1.41 115.11 114.89 2e9k h GLN 21 Ca 0.01 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 2e9k h GLN 21 Cb 0.27 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2e9k h GLN 21 CO -0.04 0.14 -0.43 1.79 -0.95 0.00 0.00 178.83 179.35 2e9k h THR 22 N 0.23 1.31 -1.56 -0.54 1.35 -1.05 -3.45 112.91 109.19 2e9k h THR 22 Ca 0.19 -1.48 -0.66 0.00 -0.55 0.00 0.00 66.41 63.90 2e9k h THR 22 Cb 0.22 1.80 0.10 0.00 -1.73 0.00 0.00 68.15 68.53 2e9k h THR 22 CO -0.24 0.42 -0.15 1.21 -0.25 0.00 0.00 175.52 176.51 2e9k n GLU 23 N -4.03 0.56 0.00 4.72 4.07 0.17 -1.47 120.64 124.67 2e9k n GLU 23 Ca -0.02 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2e9k n GLU 23 Cb 0.46 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.40 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 1.74 2.98 3.27 8.31 0.00 -1.26 -5.01 105.19 115.22 2e9k n GLY 24 Ca 0.15 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.54 -4.23 1.61 4.02 -0.54 -5.01 117.16 111.47 2e9k n TYR 25 Ca 0.00 0.07 -0.30 0.00 -0.01 0.00 0.00 57.90 57.66 2e9k n TYR 25 Cb 0.00 -1.55 -0.09 0.00 -0.02 0.00 0.00 39.34 37.68 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 -3.56 2.29 -1.24 -0.72 1.11 -1.26 -4.56 119.66 111.72 2e9k s GLN 26 Ca 0.56 -0.94 -0.03 0.00 0.01 0.00 0.00 55.36 54.96 2e9k s GLN 26 Cb -0.12 -2.39 0.02 0.00 -1.01 0.00 0.00 33.01 29.51 2e9k s GLN 26 CO 0.64 0.53 0.21 0.72 0.01 0.00 0.00 175.29 177.40 2e9k n HIS 27 N 0.77 -1.56 -3.83 0.91 8.25 -1.26 -4.93 115.22 113.57 2e9k n HIS 27 Ca -0.13 0.20 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 2e9k n HIS 27 Cb 0.52 -3.14 -0.15 0.00 1.12 0.00 0.00 29.99 28.34 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 1.28 -0.36 1.59 1.01 -1.26 -5.07 120.40 114.79 2e9k s VAL 28 Ca 0.15 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 2e9k s VAL 28 Cb -0.07 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.47 2e9k s VAL 28 CO 0.18 -0.58 0.11 0.21 0.00 0.00 0.00 175.10 175.02 2e9k s ASN 29 N 1.42 5.12 -0.38 3.32 2.47 -1.26 -4.93 114.94 120.70 2e9k s ASN 29 Ca 0.08 -1.61 -0.12 0.00 0.42 0.00 0.00 52.86 51.63 2e9k s ASN 29 Cb -0.18 -1.79 0.02 0.00 -1.45 0.00 0.00 41.25 37.86 2e9k s ASN 29 CO -0.18 -0.40 0.24 -0.69 -3.72 0.00 0.00 177.10 172.35 2e9k s VAL 30 N 1.22 4.86 0.00 -5.21 1.01 -1.26 -4.85 120.40 116.17 2e9k s VAL 30 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2e9k s VAL 30 Cb -0.21 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.47 2e9k s VAL 30 CO -0.02 -0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.19 2e9k n THR 31 N 5.06 0.00 -4.55 3.92 -2.24 -1.26 -4.93 114.28 110.28 2e9k n THR 31 Ca -0.12 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 2e9k n THR 31 Cb 0.47 -0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 -1.70 2.36 -0.60 3.42 9.92 -1.26 -5.06 116.55 123.63 2e9k n ASP 32 Ca 0.00 -2.88 0.06 0.00 -0.53 0.00 0.00 54.79 51.45 2e9k n ASP 32 Cb 0.39 0.54 0.20 0.00 -0.64 0.00 0.00 41.12 41.61 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2e9k n LEU 33 N 0.00 2.61 0.06 0.64 4.77 -1.26 -4.34 117.00 119.48 2e9k n LEU 33 Ca -0.12 -3.77 0.00 0.00 -0.03 0.00 0.00 56.01 52.09 2e9k n LEU 33 Cb 0.54 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2e9k n LEU 33 CO 0.29 1.32 0.00 0.35 -1.33 0.00 0.00 177.39 178.02 2e9k n THR 34 N -1.07 0.88 0.01 -5.08 -2.24 -1.26 -4.67 114.28 100.85 2e9k n THR 34 Ca 0.18 0.29 -0.06 0.00 -2.27 0.00 0.00 64.05 62.19 2e9k n THR 34 Cb 0.70 -1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 2e9k n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2e9k h THR 35 N 0.00 0.99 0.00 4.28 1.03 -1.86 -3.32 112.91 114.02 2e9k h THR 35 Ca 0.00 -2.74 0.00 0.00 -0.01 0.00 0.00 66.41 63.66 2e9k h THR 35 Cb 0.00 2.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 2e9k h THR 35 CO 0.00 0.56 0.26 0.28 -0.01 0.00 0.00 175.52 176.61 2e9k h SER 36 N 0.00 0.00 0.00 0.00 0.02 -1.90 0.30 113.55 111.97 2e9k h SER 36 Ca -0.19 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 2e9k h SER 36 Cb 1.87 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 64.30 2e9k h SER 36 CO 0.08 0.00 -0.62 0.79 -1.14 0.00 0.00 176.83 175.94 2e9k n TRP 37 N -2.39 0.00 0.08 3.45 7.02 -1.25 -4.03 117.44 120.32 2e9k n TRP 37 Ca -0.01 -1.16 -0.14 0.00 -1.02 0.00 0.00 57.50 55.17 2e9k n TRP 37 Cb 0.29 -0.21 -0.14 0.00 -2.42 0.00 0.00 31.31 28.83 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 0.92 0.19 0.00 -0.99 0.11 -0.52 -3.33 114.38 110.76 2e9k h ARG 38 Ca -0.06 -0.32 -0.11 0.00 0.10 0.00 0.00 59.98 59.58 2e9k h ARG 38 Cb 1.26 0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.44 2e9k h ARG 38 CO 0.03 1.10 -1.54 0.45 0.10 0.00 0.00 179.97 180.11 2e9k n SER 39 N -3.44 0.57 0.00 0.08 2.88 -1.26 -3.89 113.62 108.56 2e9k n SER 39 Ca -0.09 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2e9k n SER 39 Cb 1.01 0.73 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 2e9k n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e9k n GLY 40 N 1.35 2.79 0.32 0.46 0.00 -1.25 -3.09 105.19 105.77 2e9k n GLY 40 Ca -0.09 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.47 -0.06 0.99 4.77 -1.26 -1.12 117.00 119.85 2e9k n LEU 41 Ca 0.00 1.46 -0.02 0.00 -0.03 0.00 0.00 56.01 57.43 2e9k n LEU 41 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2e9k n LEU 41 CO 0.00 -1.34 0.47 0.00 -1.33 0.00 0.00 177.39 175.19 2e9k n ALA 42 N -3.60 -0.10 -0.05 -1.18 0.00 -1.26 -0.39 120.51 113.94 2e9k n ALA 42 Ca 0.10 0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 2e9k n ALA 42 Cb 0.36 0.38 -0.02 0.00 0.00 0.00 0.00 19.45 20.18 2e9k n ALA 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2e9k h LEU 43 N 0.00 0.00 -1.72 0.00 5.85 -1.41 -1.00 115.31 117.02 2e9k h LEU 43 Ca 0.02 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.00 2e9k h LEU 43 Cb 0.06 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2e9k h LEU 43 CO -0.14 0.03 0.75 0.00 -0.34 0.00 0.00 178.44 178.75 2e9k h ALA 45 N 1.20 0.10 -0.07 0.00 0.00 0.68 -2.09 119.26 119.08 2e9k h ALA 45 Ca 0.35 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2e9k h ALA 45 Cb 1.85 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2e9k h ALA 45 CO -0.00 0.54 0.01 0.82 0.00 0.00 0.00 179.25 180.62 2e9k h ILE 46 N 0.18 1.21 0.22 0.00 2.04 -0.06 -0.57 117.51 120.53 2e9k h ILE 46 Ca -0.11 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 2e9k h ILE 46 Cb 1.54 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2e9k h ILE 46 CO 0.17 0.18 -0.11 0.40 0.00 0.00 0.00 178.15 178.79 2e9k h ILE 47 N -0.12 0.83 -0.29 -0.67 2.04 -1.43 -2.76 117.51 115.12 2e9k h ILE 47 Ca 0.02 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.62 2e9k h ILE 47 Cb 0.27 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2e9k h ILE 47 CO 0.00 0.07 0.20 -0.74 0.00 0.00 0.00 178.15 177.69 2e9k h HIS 48 N -0.46 0.14 -0.08 1.37 2.76 -1.41 -2.07 115.15 115.39 2e9k h HIS 48 Ca -0.03 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2e9k h HIS 48 Cb 0.35 -0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 2e9k h HIS 48 CO -0.02 0.07 -0.43 -0.09 -1.30 0.00 0.00 177.93 176.17 2e9k h ARG 49 N 0.14 -0.47 0.13 5.26 1.12 -0.78 0.19 114.38 119.96 2e9k h ARG 49 Ca 0.13 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 2e9k h ARG 49 Cb 0.35 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 2e9k h ARG 49 CO -0.02 -0.31 -0.06 0.74 -3.11 0.00 0.00 179.97 177.21 2e9k h PHE 50 N -0.49 -0.16 -3.21 2.20 -1.00 -1.56 -3.39 116.94 109.33 2e9k h PHE 50 Ca 0.02 -0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.17 2e9k h PHE 50 Cb 0.55 0.05 -0.41 0.00 3.61 0.00 0.00 35.95 39.76 2e9k h PHE 50 CO -0.54 0.25 -0.67 1.03 -1.61 0.00 0.00 178.31 176.77 2e9k s ARG 51 N -4.32 1.72 0.00 1.51 3.00 -0.80 -4.94 118.95 115.12 2e9k s ARG 51 Ca -0.15 -2.41 0.16 0.00 0.00 0.00 0.00 55.73 53.33 2e9k s ARG 51 Cb 0.02 -2.93 0.92 0.00 0.00 0.00 0.00 34.95 32.96 2e9k s ARG 51 CO 0.60 -1.14 1.35 -0.35 0.00 0.00 0.00 175.30 175.76 2e9k n PRO 52 N 3.23 0.47 0.02 3.54 -0.04 0.66 -2.37 135.00 140.51 2e9k n PRO 52 Ca 0.07 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 2e9k n PRO 52 Cb 0.33 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.00 -0.20 0.54 4.57 -1.92 -3.35 114.58 114.23 2e9k h GLU 53 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.98 2e9k h GLU 53 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2e9k h GLU 53 CO 0.00 0.60 -0.66 -0.07 -1.18 0.00 0.00 179.01 177.70 2e9k h LEU 54 N 0.00 0.85 -8.02 1.64 3.38 -1.84 -3.44 115.31 107.88 2e9k h LEU 54 Ca -0.17 -0.51 -0.52 0.00 0.09 0.00 0.00 57.88 56.77 2e9k h LEU 54 Cb 1.83 -0.25 -0.33 0.00 0.09 0.00 0.00 40.66 42.01 2e9k h LEU 54 CO 0.09 1.29 -0.82 -0.63 0.09 0.00 0.00 178.44 178.46 2e9k s ILE 55 N -3.90 1.17 -1.01 1.22 1.01 -1.25 -5.01 121.20 113.42 2e9k s ILE 55 Ca -0.09 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 2e9k s ILE 55 Cb 0.10 -1.05 0.26 0.00 0.01 0.00 0.00 42.46 41.77 2e9k s ILE 55 CO 0.88 0.36 0.98 0.21 0.00 0.00 0.00 174.94 177.38 2e9k s ASN 56 N 0.54 7.03 0.44 3.58 3.84 -1.26 -4.70 114.94 124.41 2e9k s ASN 56 Ca -0.12 -3.37 0.11 0.00 0.21 0.00 0.00 52.86 49.69 2e9k s ASN 56 Cb -0.15 -2.18 1.01 0.00 -0.55 0.00 0.00 41.25 39.38 2e9k s ASN 56 CO 0.03 -0.35 2.06 0.15 -2.79 0.00 0.00 177.10 176.21 2e9k h PHE 57 N 6.89 0.36 0.00 0.43 3.04 -1.89 -0.07 116.94 125.70 2e9k h PHE 57 Ca 0.16 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.11 2e9k h PHE 57 Cb 0.91 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.30 2e9k h PHE 57 CO 0.82 0.21 0.07 0.22 -2.02 0.00 0.00 178.31 177.62 2e9k h ASP 58 N 0.38 0.00 0.00 0.41 3.58 -1.98 -1.89 116.42 116.92 2e9k h ASP 58 Ca 0.15 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.27 2e9k h ASP 58 Cb 0.11 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.10 2e9k h ASP 58 CO -0.03 0.00 -2.22 -1.20 -2.88 0.00 0.00 179.24 172.91 2e9k n SER 59 N -2.98 1.15 -4.67 2.28 7.64 -0.11 -4.96 113.62 111.97 2e9k n SER 59 Ca -0.03 -0.04 -0.53 0.00 1.01 0.00 0.00 58.87 59.29 2e9k n SER 59 Cb 0.14 0.56 -0.06 0.00 -1.01 0.00 0.00 64.21 63.83 2e9k n SER 59 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2e9k n LEU 60 N -2.79 2.84 -4.49 -3.43 4.77 -0.71 -4.94 117.00 108.24 2e9k n LEU 60 Ca -0.32 0.96 -0.36 0.00 -0.03 0.00 0.00 56.01 56.26 2e9k n LEU 60 Cb 1.03 -1.25 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 2e9k n LEU 60 CO 0.33 -0.29 -0.28 0.21 -1.33 0.00 0.00 177.39 176.03 2e9k s ASN 61 N 4.21 5.23 0.20 -1.43 3.04 -1.26 -4.98 114.94 119.95 2e9k s ASN 61 Ca 0.97 -0.14 -0.11 0.00 0.04 0.00 0.00 52.86 53.63 2e9k s ASN 61 Cb -0.88 -1.93 0.26 0.00 -1.54 0.00 0.00 41.25 37.16 2e9k s ASN 61 CO 0.58 0.02 1.24 1.21 -3.04 0.00 0.00 177.10 177.11 2e9k n GLU 62 N 4.54 -0.14 -0.36 0.43 2.13 -1.26 0.24 120.64 126.21 2e9k n GLU 62 Ca -0.16 1.23 0.06 0.00 0.66 0.00 0.00 57.16 58.96 2e9k n GLU 62 Cb 0.52 -1.83 0.23 0.00 0.27 0.00 0.00 31.44 30.62 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 0.94 0.00 4.31 3.58 -2.00 -2.38 116.42 120.86 2e9k h ASP 63 Ca 0.32 0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.69 2e9k h ASP 63 Cb 0.52 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 2e9k h ASP 63 CO -0.80 0.51 -0.19 0.47 -2.88 0.00 0.00 179.24 176.34 2e9k n ASP 64 N -4.61 4.52 0.19 2.28 8.00 0.65 -4.55 116.55 123.03 2e9k n ASP 64 Ca 0.18 -2.31 -0.16 0.00 0.71 0.00 0.00 54.79 53.22 2e9k n ASP 64 Cb 0.33 -1.15 -0.08 0.00 -0.02 0.00 0.00 41.12 40.20 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 2.89 -0.86 -0.97 2.24 0.00 -1.49 0.12 119.26 121.19 2e9k h ALA 65 Ca 0.12 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2e9k h ALA 65 Cb 1.19 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 19.50 2e9k h ALA 65 CO 0.20 -1.04 -0.43 0.28 0.00 0.00 0.00 179.25 178.26 2e9k n VAL 66 N -5.49 -0.55 -0.11 0.00 0.31 -1.26 -0.14 118.33 111.09 2e9k n VAL 66 Ca -0.09 2.30 -0.10 0.00 -0.01 0.00 0.00 64.34 66.43 2e9k n VAL 66 Cb 0.40 -2.98 -0.02 0.00 -0.91 0.00 0.00 33.84 30.33 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 0.55 -0.50 5.55 5.08 -1.86 -1.57 114.58 121.83 2e9k h GLU 67 Ca 0.29 -0.13 0.10 0.00 -1.00 0.00 0.00 59.36 58.62 2e9k h GLU 67 Cb 0.53 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 2e9k h GLU 67 CO -0.95 0.60 -0.13 -0.91 -1.00 0.00 0.00 179.01 176.62 2e9k h ASN 68 N 0.40 -0.48 0.49 1.42 2.35 0.22 0.18 115.58 120.15 2e9k h ASN 68 Ca 0.11 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 2e9k h ASN 68 Cb 0.30 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2e9k h ASN 68 CO 0.00 -0.17 -0.24 0.78 -1.65 0.00 0.00 177.43 176.15 2e9k h ASN 69 N -0.01 -0.56 -1.06 5.81 2.35 -0.70 -2.99 115.58 118.42 2e9k h ASN 69 Ca 0.24 -0.07 0.29 0.00 -0.55 0.00 0.00 56.30 56.21 2e9k h ASN 69 Cb 0.37 0.14 -0.12 0.00 0.05 0.00 0.00 38.32 38.77 2e9k h ASN 69 CO -0.52 -0.20 0.65 -0.61 -1.65 0.00 0.00 177.43 175.10 2e9k h GLN 70 N -0.96 0.39 0.64 0.81 5.75 -0.94 -0.55 115.11 120.24 2e9k h GLN 70 Ca -0.07 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2e9k h GLN 70 Cb 0.60 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.06 2e9k h GLN 70 CO 0.11 0.26 -0.36 1.25 -2.65 0.00 0.00 178.83 177.44 2e9k h LEU 71 N 0.40 -0.89 -1.02 -2.39 5.85 -0.55 0.90 115.31 117.61 2e9k h LEU 71 Ca 0.66 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.56 2e9k h LEU 71 Cb 1.59 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 42.78 2e9k h LEU 71 CO -0.41 -0.57 0.63 0.00 -0.34 0.00 0.00 178.44 177.74 2e9k h ALA 72 N -1.43 1.57 0.79 1.25 0.00 -1.16 0.22 119.26 120.50 2e9k h ALA 72 Ca -0.09 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2e9k h ALA 72 Cb 0.73 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2e9k h ALA 72 CO 0.11 0.15 -0.38 0.74 0.00 0.00 0.00 179.25 179.86 2e9k h PHE 73 N 0.93 -0.99 -0.96 0.00 0.04 -0.93 -0.04 116.94 114.99 2e9k h PHE 73 Ca 0.52 -0.02 0.15 0.00 2.80 0.00 0.00 57.97 61.42 2e9k h PHE 73 Cb 0.61 0.33 -0.08 0.00 2.20 0.00 0.00 35.95 39.00 2e9k h PHE 73 CO -0.00 -0.61 0.61 0.22 -0.60 0.00 0.00 178.31 177.92 2e9k h ASP 74 N -1.13 0.75 0.30 2.17 3.58 -0.51 0.26 116.42 121.84 2e9k h ASP 74 Ca -0.11 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2e9k h ASP 74 Cb 0.82 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2e9k h ASP 74 CO 0.18 0.35 -0.14 0.58 -2.88 0.00 0.00 179.24 177.33 2e9k h VAL 75 N 0.78 0.74 0.00 2.25 2.07 -0.81 0.15 116.25 121.43 2e9k h VAL 75 Ca 0.50 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.71 2e9k h VAL 75 Cb 0.73 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2e9k h VAL 75 CO -0.26 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.39 2e9k h ALA 76 N 0.09 1.00 0.00 1.67 0.00 -0.31 -0.16 119.26 121.55 2e9k h ALA 76 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2e9k h ALA 76 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2e9k h ALA 76 CO 0.07 0.00 -0.95 -1.91 0.00 0.00 0.00 179.25 176.45 2e9k n GLU 77 N -3.03 0.26 -0.07 0.00 2.13 0.02 -0.12 120.64 119.83 2e9k n GLU 77 Ca -0.01 0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.70 2e9k n GLU 77 Cb 0.16 -1.59 -0.15 0.00 0.27 0.00 0.00 31.44 30.13 2e9k n GLU 77 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2e9k n ARG 78 N -1.93 0.67 -0.11 5.31 3.00 0.49 -3.34 116.66 120.76 2e9k n ARG 78 Ca 0.02 0.13 -0.18 0.00 -0.00 0.00 0.00 57.85 57.82 2e9k n ARG 78 Cb 0.43 -1.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.20 2e9k n ARG 78 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2e9k n GLU 79 N -2.94 0.52 0.14 -0.14 -0.58 -0.21 -4.61 120.64 112.82 2e9k n GLU 79 Ca -0.28 0.22 0.07 0.00 -0.42 0.00 0.00 57.16 56.75 2e9k n GLU 79 Cb 1.10 -1.40 0.04 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.93 0.00 -0.15 -0.32 0.04 -1.59 -3.48 116.94 110.51 2e9k h PHE 80 Ca -0.32 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.38 2e9k h PHE 80 Cb 1.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 2e9k h PHE 80 CO -0.25 0.22 -0.06 0.41 -0.60 0.00 0.00 178.31 178.04 2e9k n GLY 81 N 1.20 0.61 3.59 -1.45 0.00 0.83 -4.93 105.19 105.05 2e9k n GLY 81 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.96 4.75 0.34 -0.61 1.01 -0.40 -4.83 121.20 119.50 2e9k s ILE 82 Ca 0.00 0.93 -0.28 0.00 0.00 0.00 0.00 60.65 61.30 2e9k s ILE 82 Cb 0.00 -4.19 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 2e9k s ILE 82 CO 0.00 -0.39 1.22 -2.16 0.00 0.00 0.00 174.94 173.61 2e9k s PRO 83 N 3.05 4.35 0.62 2.79 0.04 -1.26 -3.65 135.00 140.94 2e9k s PRO 83 Ca 0.31 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.20 2e9k s PRO 83 Cb -0.13 -3.00 -0.02 0.00 0.04 0.00 0.00 34.50 31.39 2e9k s PRO 83 CO 0.16 -0.12 1.12 -1.25 0.04 0.00 0.00 177.00 176.94 2e9k s PRO 84 N -1.84 2.97 -0.00 0.56 0.04 -1.26 -4.98 135.00 130.49 2e9k s PRO 84 Ca 0.50 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.91 2e9k s PRO 84 Cb -0.35 -1.97 -0.31 0.00 0.04 0.00 0.00 34.50 31.91 2e9k s PRO 84 CO 0.46 -1.13 0.84 -0.39 0.04 0.00 0.00 177.00 176.83 2e9k h VAL 85 N 0.39 1.13 -2.69 -0.36 -1.51 -1.95 -3.47 116.25 107.79 2e9k h VAL 85 Ca -0.48 -2.68 -0.49 0.00 -1.23 0.00 0.00 66.70 61.82 2e9k h VAL 85 Cb 1.25 2.84 -0.14 0.00 -2.13 0.00 0.00 31.29 33.12 2e9k h VAL 85 CO 0.55 0.84 -0.67 0.28 -1.23 0.00 0.00 177.57 177.34 2e9k s THR 86 N -2.60 1.57 -0.05 7.19 -1.32 -1.26 -5.13 115.64 114.03 2e9k s THR 86 Ca -0.11 -2.10 -0.19 0.00 -1.21 0.00 0.00 61.69 58.08 2e9k s THR 86 Cb 0.06 -2.49 -0.05 0.00 -1.51 0.00 0.00 72.50 68.51 2e9k s THR 86 CO 0.88 -0.27 0.53 0.42 -2.21 0.00 0.00 174.62 173.97 2e9k s THR 87 N -3.06 5.05 0.17 5.08 -4.23 -1.26 -4.90 115.64 112.49 2e9k s THR 87 Ca 0.30 1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 61.77 2e9k s THR 87 Cb 0.04 -3.86 0.19 0.00 1.34 0.00 0.00 72.50 70.21 2e9k s THR 87 CO 0.12 0.39 1.14 0.61 -0.54 0.00 0.00 174.62 176.34 2e9k n GLY 88 N 2.74 -1.49 0.39 3.99 0.00 -1.26 0.20 105.19 109.75 2e9k n GLY 88 Ca -0.08 0.82 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.44 -0.32 1.61 1.57 -1.93 -2.00 116.57 115.06 2e9k h LYS 89 Ca 0.26 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2e9k h LYS 89 Cb 0.45 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2e9k h LYS 89 CO -0.73 -0.29 0.16 0.93 -0.57 0.00 0.00 179.45 178.94 2e9k h GLU 90 N -0.46 0.32 -0.98 3.15 4.39 -0.64 -1.96 114.58 118.41 2e9k h GLU 90 Ca 0.09 -0.02 0.33 0.00 0.34 0.00 0.00 59.36 60.10 2e9k h GLU 90 Cb 0.61 -0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.02 2e9k h GLU 90 CO -0.41 0.21 0.39 1.98 -1.16 0.00 0.00 179.01 180.02 2e9k h MET 91 N 0.33 0.12 0.07 2.33 4.05 0.00 0.85 114.93 122.67 2e9k h MET 91 Ca 0.13 -0.01 -0.24 0.00 -0.28 0.00 0.00 59.70 59.30 2e9k h MET 91 Cb 0.04 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2e9k h MET 91 CO -0.09 0.08 -1.09 0.00 0.23 0.00 0.00 176.91 176.04 2e9k h ALA 92 N 1.92 0.25 0.37 0.39 0.00 -0.99 -3.37 119.26 117.83 2e9k h ALA 92 Ca 0.71 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2e9k h ALA 92 Cb 1.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2e9k h ALA 92 CO -0.74 0.96 -0.18 0.77 0.00 0.00 0.00 179.25 180.07 2e9k h SER 93 N 0.10 -0.42 -2.20 0.00 0.02 0.14 -3.40 113.55 107.79 2e9k h SER 93 Ca -0.09 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.30 2e9k h SER 93 Cb 1.79 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.44 2e9k h SER 93 CO 0.18 -0.30 1.37 0.00 -1.14 0.00 0.00 176.83 176.94 2e9k s ALA 94 N -4.07 3.05 0.17 3.77 0.00 -0.29 -4.86 121.76 119.53 2e9k s ALA 94 Ca -0.07 0.92 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 2e9k s ALA 94 Cb 0.01 -3.98 0.06 0.00 0.00 0.00 0.00 23.12 19.20 2e9k s ALA 94 CO 0.21 -2.33 1.66 -0.56 0.00 0.00 0.00 175.76 174.74 2e9k h GLN 95 N 13.21 0.98 -3.68 0.00 3.07 -1.86 -3.39 115.11 123.44 2e9k h GLN 95 Ca -0.43 -0.27 -0.61 0.00 0.09 0.00 0.00 58.65 57.43 2e9k h GLN 95 Cb 1.23 -0.11 -0.40 0.00 0.08 0.00 0.00 27.48 28.28 2e9k h GLN 95 CO 0.96 0.93 -0.73 -2.00 0.09 0.00 0.00 178.83 178.08 2e9k s GLU 96 N -5.18 1.15 0.91 0.06 -6.30 -1.26 -4.64 118.70 103.44 2e9k s GLU 96 Ca -0.12 -1.63 -0.12 0.00 -2.50 0.00 0.00 54.97 50.60 2e9k s GLU 96 Cb 0.13 -2.49 0.14 0.00 0.00 0.00 0.00 34.13 31.91 2e9k s GLU 96 CO 0.83 -1.03 1.09 -1.25 0.02 0.00 0.00 175.26 174.92 2e9k s PRO 97 N 0.96 1.15 -0.29 4.30 0.04 -1.26 -4.93 135.00 134.98 2e9k s PRO 97 Ca 0.13 0.78 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 2e9k s PRO 97 Cb -0.20 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2e9k s PRO 97 CO -0.12 -2.31 1.73 -0.51 0.04 0.00 0.00 177.00 175.83 2e9k s ASP 98 N -3.43 6.08 0.62 6.66 1.01 -1.26 -4.83 116.67 121.52 2e9k s ASP 98 Ca 0.64 1.42 0.23 0.00 0.71 0.00 0.00 52.55 55.55 2e9k s ASP 98 Cb -0.18 -2.53 1.08 0.00 1.01 0.00 0.00 42.92 42.30 2e9k s ASP 98 CO 0.57 -1.54 1.56 0.50 0.21 0.00 0.00 175.17 176.47 2e9k h LYS 99 N 12.06 0.00 0.18 8.23 3.64 -1.92 -1.33 116.57 137.43 2e9k h LYS 99 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 2e9k h LYS 99 Cb 1.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2e9k h LYS 99 CO 1.02 0.00 -0.08 1.25 -2.27 0.00 0.00 179.45 179.37 2e9k h LEU 100 N 0.00 -0.20 -1.25 5.20 5.85 -1.93 -1.68 115.31 121.30 2e9k h LEU 100 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2e9k h LEU 100 Cb 1.76 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.84 2e9k h LEU 100 CO -0.00 -0.02 0.30 -1.28 -0.34 0.00 0.00 178.44 177.10 2e9k h SER 101 N -0.49 0.00 0.00 1.25 0.87 -1.67 0.24 113.55 113.76 2e9k h SER 101 Ca -0.02 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 2e9k h SER 101 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2e9k h SER 101 CO 0.04 0.00 -0.46 0.24 -0.53 0.00 0.00 176.83 176.12 2e9k h MET 102 N 0.00 0.00 -0.49 2.24 2.86 -1.38 -3.22 114.93 114.94 2e9k h MET 102 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2e9k h MET 102 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2e9k h MET 102 CO 0.00 0.68 0.18 0.28 1.06 0.00 0.00 176.91 179.11 2e9k h VAL 103 N -1.00 1.22 -0.25 -2.22 2.07 -0.20 -0.46 116.25 115.41 2e9k h VAL 103 Ca -0.11 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.75 2e9k h VAL 103 Cb 0.85 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2e9k h VAL 103 CO -0.07 0.26 0.17 0.00 0.02 0.00 0.00 177.57 177.95 2e9k h MET 104 N 0.65 0.18 0.00 1.57 3.00 -1.19 -0.66 114.93 118.47 2e9k h MET 104 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.85 2e9k h MET 104 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 31.78 2e9k h MET 104 CO -0.01 0.12 -0.01 -0.92 0.00 0.00 0.00 176.91 176.09 2e9k h TYR 105 N 0.18 0.00 -0.95 -0.10 3.20 -1.45 -3.37 116.97 114.49 2e9k h TYR 105 Ca 0.11 0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.27 2e9k h TYR 105 Cb 0.20 0.00 -0.16 0.00 1.54 0.00 0.00 36.73 38.31 2e9k h TYR 105 CO -0.00 0.00 0.32 -0.07 -1.64 0.00 0.00 178.16 176.77 2e9k h LEU 106 N -0.24 0.06 -1.08 2.82 3.38 -1.11 0.52 115.31 119.66 2e9k h LEU 106 Ca 0.00 0.23 0.34 0.00 0.09 0.00 0.00 57.88 58.54 2e9k h LEU 106 Cb 0.01 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 40.91 2e9k h LEU 106 CO 0.00 -0.25 0.61 0.28 0.09 0.00 0.00 178.44 179.17 2e9k h SER 107 N 0.15 0.45 -0.26 -0.43 0.02 -1.27 0.39 113.55 112.60 2e9k h SER 107 Ca 0.66 0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.81 2e9k h SER 107 Cb 1.47 0.14 -0.03 0.00 0.14 0.00 0.00 62.40 64.12 2e9k h SER 107 CO -0.73 -0.16 0.10 0.11 -1.14 0.00 0.00 176.83 175.01 2e9k h LYS 108 N 0.26 0.21 -0.54 3.45 1.57 -0.09 -0.55 116.57 120.89 2e9k h LYS 108 Ca 0.75 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.46 2e9k h LYS 108 Cb 1.85 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 34.09 2e9k h LYS 108 CO -0.57 0.14 0.11 0.74 -0.57 0.00 0.00 179.45 179.30 2e9k h PHE 109 N 0.22 0.92 0.72 -1.35 0.04 -0.35 0.11 116.94 117.24 2e9k h PHE 109 Ca 0.11 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2e9k h PHE 109 Cb 0.07 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.97 2e9k h PHE 109 CO -0.12 0.81 -0.42 -0.92 -0.60 0.00 0.00 178.31 177.05 2e9k h TYR 110 N 0.76 -1.12 -0.21 -0.55 3.20 -0.86 0.16 116.97 118.35 2e9k h TYR 110 Ca 0.17 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2e9k h TYR 110 Cb 0.36 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.00 2e9k h TYR 110 CO 0.03 -0.64 0.05 0.93 -1.64 0.00 0.00 178.16 176.89 2e9k h GLU 111 N -1.06 0.14 0.32 1.82 5.08 -1.14 0.29 114.58 120.03 2e9k h GLU 111 Ca -0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2e9k h GLU 111 Cb 0.84 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 2e9k h GLU 111 CO 0.11 0.09 -0.44 1.25 -1.00 0.00 0.00 179.01 179.02 2e9k h LEU 112 N 0.14 -1.25 0.06 1.33 5.85 -0.91 -0.87 115.31 119.67 2e9k h LEU 112 Ca 0.09 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2e9k h LEU 112 Cb 0.08 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2e9k h LEU 112 CO -0.11 -0.54 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.04 2e9k h PHE 113 N -0.79 -0.39 -0.38 1.25 0.04 -0.59 -3.08 116.94 113.00 2e9k h PHE 113 Ca -0.04 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.78 2e9k h PHE 113 Cb 0.71 0.16 -0.06 0.00 2.20 0.00 0.00 35.95 38.97 2e9k h PHE 113 CO -0.30 -0.22 -0.38 -0.09 -0.60 0.00 0.00 178.31 176.72 2e9k h ARG 114 N -0.28 -0.19 0.00 1.51 2.43 -0.27 -3.48 114.38 114.10 2e9k h ARG 114 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2e9k h ARG 114 Cb 0.31 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2e9k h ARG 114 CO -0.10 -0.12 0.00 0.41 -1.51 0.00 0.00 179.97 178.64 2e9k n GLY 115 N -1.23 0.81 2.93 2.80 0.00 -0.34 -5.08 105.19 105.08 2e9k n GLY 115 Ca -0.01 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 2e9k n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e9k s THR 116 N 0.00 0.35 1.18 2.61 2.01 -1.26 -4.72 115.64 115.80 2e9k s THR 116 Ca 0.00 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 61.66 2e9k s THR 116 Cb 0.00 -0.32 0.27 0.00 0.01 0.00 0.00 72.50 72.47 2e9k s THR 116 CO 0.00 0.11 1.11 -2.16 -0.69 0.00 0.00 174.62 172.99 2e9k s PRO 117 N 0.08 -1.02 0.15 4.92 0.04 -1.26 -5.04 135.00 132.86 2e9k s PRO 117 Ca -0.00 0.00 -0.07 0.00 0.04 0.00 0.00 61.00 60.97 2e9k s PRO 117 Cb -0.04 -1.61 -0.06 0.00 0.04 0.00 0.00 34.50 32.83 2e9k s PRO 117 CO -0.00 -3.59 0.42 -0.48 0.04 0.00 0.00 177.00 173.38 2e9k s LEU 118 N -6.88 4.26 -0.00 -3.56 0.05 -1.26 -5.11 118.68 106.18 2e9k s LEU 118 Ca 0.70 0.70 -0.02 0.00 0.05 0.00 0.00 54.13 55.56 2e9k s LEU 118 Cb -0.11 -3.34 -0.00 0.00 -2.05 0.00 0.00 46.19 40.69 2e9k s LEU 118 CO 0.56 0.04 0.03 -0.13 -0.55 0.00 0.00 176.35 176.31 2e9k s ARG 119 N -2.57 0.16 0.92 1.48 1.81 -1.26 -5.16 118.95 114.33 2e9k s ARG 119 Ca 0.41 -0.18 -0.12 0.00 -1.72 0.00 0.00 55.73 54.13 2e9k s ARG 119 Cb -0.12 0.06 0.14 0.00 -0.45 0.00 0.00 34.95 34.59 2e9k s ARG 119 CO 0.23 -0.03 1.09 -1.25 -0.68 0.00 0.00 175.30 174.66 2e9k s PRO 120 N -0.53 1.06 0.00 3.54 0.04 -1.26 -5.35 135.00 132.50 2e9k s PRO 120 Ca -0.06 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2e9k s PRO 120 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2e9k s PRO 120 CO -0.00 -2.36 0.33 0.28 0.04 0.00 0.00 177.00 175.29