#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 6.04 -0.37 1.61 1.04 -1.26 -5.07 113.70 115.68 2e9k s SER 2 Ca 0.00 0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.54 2e9k s SER 2 Cb 0.00 -1.94 0.01 0.00 0.10 0.00 0.00 66.02 64.18 2e9k s SER 2 CO 0.00 0.34 0.67 -0.44 0.98 0.00 0.00 173.24 174.78 2e9k s SER 3 N -0.61 6.43 0.07 7.02 0.01 -1.26 -5.05 113.70 120.32 2e9k s SER 3 Ca 0.12 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.50 2e9k s SER 3 Cb -0.12 -2.34 0.01 0.00 0.21 0.00 0.00 66.02 63.78 2e9k s SER 3 CO 0.02 -0.65 0.08 0.61 0.41 0.00 0.00 173.24 173.71 2e9k n GLY 4 N 4.71 1.89 3.85 3.44 0.00 -1.26 -5.10 105.19 112.71 2e9k n GLY 4 Ca -0.00 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 2e9k n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9k s SER 5 N -1.37 6.79 -0.27 1.61 0.01 -1.26 -5.07 113.70 114.14 2e9k s SER 5 Ca 0.06 1.16 -0.00 0.00 1.31 0.00 0.00 55.95 58.48 2e9k s SER 5 Cb -0.00 -2.32 0.16 0.00 0.21 0.00 0.00 66.02 64.06 2e9k s SER 5 CO 0.04 -0.06 0.44 -0.94 0.41 0.00 0.00 173.24 173.13 2e9k s SER 6 N -2.07 -0.14 0.00 2.44 1.04 -1.26 -5.12 113.70 108.58 2e9k s SER 6 Ca 0.47 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2e9k s SER 6 Cb -0.13 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2e9k s SER 6 CO 0.19 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2e9k n GLY 7 N 5.38 4.21 3.52 7.32 0.00 -1.26 -5.14 105.19 119.22 2e9k n GLY 7 Ca -0.01 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2e9k n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e9k s ASP 8 N 0.00 1.11 0.34 1.61 1.01 -1.26 -5.01 116.67 114.47 2e9k s ASP 8 Ca 0.00 1.28 -0.11 0.00 0.71 0.00 0.00 52.55 54.43 2e9k s ASP 8 Cb 0.00 -1.98 -0.07 0.00 1.01 0.00 0.00 42.92 41.87 2e9k s ASP 8 CO 0.00 -4.09 0.71 -0.63 0.21 0.00 0.00 175.17 171.37 2e9k s ILE 9 N -2.61 4.79 -0.04 0.77 -1.09 -1.26 -5.04 121.20 116.73 2e9k s ILE 9 Ca 0.68 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.74 2e9k s ILE 9 Cb -0.21 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 36.98 2e9k s ILE 9 CO 0.62 -0.34 -0.02 0.03 -1.23 0.00 0.00 174.94 174.00 2e9k h ARG 10 N 1.78 0.00 -0.26 2.79 3.08 -2.03 -3.37 114.38 116.38 2e9k h ARG 10 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2e9k h ARG 10 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2e9k h ARG 10 CO 0.65 0.00 0.00 -0.35 -1.07 0.00 0.00 179.97 179.20 2e9k n PRO 11 N -2.90 0.49 -0.08 0.04 -0.04 -1.26 -3.34 135.00 127.91 2e9k n PRO 11 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 2e9k n PRO 11 Cb 0.04 -1.13 -0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.27 0.00 -0.83 3.54 0.87 -1.99 -3.20 113.55 112.21 2e9k h SER 12 Ca 0.00 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 2e9k h SER 12 Cb 0.13 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 2e9k h SER 12 CO 0.00 0.91 0.54 0.11 -0.53 0.00 0.00 176.83 177.86 2e9k h LYS 13 N -1.00 1.04 0.79 2.24 1.79 -1.74 -2.39 116.57 117.30 2e9k h LYS 13 Ca -0.08 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 2e9k h LYS 13 Cb 0.67 -0.24 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2e9k h LYS 13 CO -0.05 0.69 -0.38 1.25 -1.08 0.00 0.00 179.45 179.88 2e9k h LEU 14 N 1.07 -0.90 -0.77 2.94 5.85 -1.76 -3.02 115.31 118.73 2e9k h LEU 14 Ca 0.32 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.23 2e9k h LEU 14 Cb -0.05 0.23 -0.14 0.00 0.37 0.00 0.00 40.66 41.07 2e9k h LEU 14 CO -0.09 -0.61 -0.04 0.25 -0.34 0.00 0.00 178.44 177.61 2e9k h LEU 15 N -1.12 -0.43 -0.39 2.25 5.85 -1.52 -1.41 115.31 118.53 2e9k h LEU 15 Ca -0.11 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.87 2e9k h LEU 15 Cb 0.82 0.38 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 2e9k h LEU 15 CO 0.18 -0.21 -0.56 0.74 -0.34 0.00 0.00 178.44 178.26 2e9k h THR 16 N 0.07 0.00 -0.57 1.05 2.02 -1.31 0.27 112.91 114.44 2e9k h THR 16 Ca 0.41 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.70 2e9k h THR 16 Cb 0.72 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.01 2e9k h THR 16 CO -0.70 0.00 -0.26 -0.25 0.37 0.00 0.00 175.52 174.67 2e9k h TRP 17 N -0.41 -0.69 -0.63 3.16 7.01 -1.17 0.67 115.95 123.90 2e9k h TRP 17 Ca 0.07 0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.17 2e9k h TRP 17 Cb 0.60 0.39 -0.04 0.00 -2.10 0.00 0.00 29.16 28.00 2e9k h TRP 17 CO -0.72 -0.34 0.37 0.00 -2.79 0.00 0.00 178.44 174.96 2e9k h GLN 19 N 0.72 0.88 -0.11 0.00 4.20 0.16 -0.32 115.11 120.64 2e9k h GLN 19 Ca 0.26 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2e9k h GLN 19 Cb 0.07 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 2e9k h GLN 19 CO -0.13 0.58 -0.05 1.96 -0.67 0.00 0.00 178.83 180.53 2e9k h GLN 20 N 0.90 0.23 -0.06 1.46 4.20 -0.16 0.10 115.11 121.78 2e9k h GLN 20 Ca 0.31 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 2e9k h GLN 20 Cb 0.09 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2e9k h GLN 20 CO -0.09 0.57 0.04 1.96 -0.67 0.00 0.00 178.83 180.64 2e9k h GLN 21 N -0.11 0.09 -0.61 1.46 1.08 -0.90 -2.92 115.11 113.20 2e9k h GLN 21 Ca 0.03 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 2e9k h GLN 21 Cb 0.50 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2e9k h GLN 21 CO 0.02 0.09 0.06 1.79 -0.95 0.00 0.00 178.83 179.84 2e9k h THR 22 N 0.06 1.26 -0.79 -0.54 1.35 -1.10 -3.45 112.91 109.70 2e9k h THR 22 Ca 0.02 -1.07 -0.62 0.00 -0.55 0.00 0.00 66.41 64.19 2e9k h THR 22 Cb 0.03 0.75 0.04 0.00 -1.73 0.00 0.00 68.15 67.24 2e9k h THR 22 CO -0.00 0.39 0.06 1.21 -0.25 0.00 0.00 175.52 176.93 2e9k n GLU 23 N -4.24 0.00 0.00 4.72 2.13 0.35 -1.43 120.64 122.17 2e9k n GLU 23 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2e9k n GLU 23 Cb 0.31 -1.18 0.00 0.00 0.27 0.00 0.00 31.44 30.84 2e9k n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2e9k n GLY 24 N 1.25 3.14 3.25 8.31 0.00 -1.26 -5.00 105.19 114.88 2e9k n GLY 24 Ca 0.16 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.69 -4.14 1.61 4.01 -0.51 -5.01 117.16 111.42 2e9k n TYR 25 Ca 0.00 0.02 -0.27 0.00 -0.16 0.00 0.00 57.90 57.49 2e9k n TYR 25 Cb 0.00 -1.53 -0.07 0.00 -0.31 0.00 0.00 39.34 37.43 2e9k n TYR 25 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2e9k s GLN 26 N -3.65 2.63 -0.70 -0.72 -0.21 -1.26 -4.49 119.66 111.26 2e9k s GLN 26 Ca 0.55 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.98 2e9k s GLN 26 Cb -0.12 -2.51 0.00 0.00 1.00 0.00 0.00 33.01 31.38 2e9k s GLN 26 CO 0.61 0.48 0.00 0.72 -2.12 0.00 0.00 175.29 174.98 2e9k n HIS 27 N -0.07 -1.25 -3.88 0.91 8.25 -1.26 -4.87 115.22 113.04 2e9k n HIS 27 Ca -0.09 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.07 2e9k n HIS 27 Cb 0.54 -2.00 -0.14 0.00 1.12 0.00 0.00 29.99 29.51 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 -2.09 1.88 -0.39 1.59 1.01 -1.26 -5.07 120.40 116.08 2e9k s VAL 28 Ca 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 61.98 59.52 2e9k s VAL 28 Cb 0.00 -2.36 0.09 0.00 0.00 0.00 0.00 36.38 34.11 2e9k s VAL 28 CO 0.00 -0.72 0.18 0.54 0.00 0.00 0.00 175.10 175.09 2e9k s ASN 29 N 0.66 5.27 -0.42 3.32 4.22 -1.26 -4.86 114.94 121.86 2e9k s ASN 29 Ca 0.13 -1.77 -0.22 0.00 -2.14 0.00 0.00 52.86 48.86 2e9k s ASN 29 Cb -0.21 -1.84 0.02 0.00 1.28 0.00 0.00 41.25 40.50 2e9k s ASN 29 CO -0.08 -0.49 0.70 -0.69 -2.04 0.00 0.00 177.10 174.50 2e9k s VAL 30 N 1.22 4.77 0.00 3.54 1.01 -1.26 -4.83 120.40 124.85 2e9k s VAL 30 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2e9k s VAL 30 Cb -0.22 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2e9k s VAL 30 CO -0.02 -0.58 0.00 0.35 0.00 0.00 0.00 175.10 174.85 2e9k n THR 31 N 5.90 0.00 -4.61 3.92 -2.24 -1.26 -4.94 114.28 111.06 2e9k n THR 31 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2e9k n THR 31 Cb 0.48 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.27 2.22 -0.50 3.42 8.00 -1.26 -5.06 116.55 121.11 2e9k n ASP 32 Ca 0.00 -3.16 0.06 0.00 0.71 0.00 0.00 54.79 52.41 2e9k n ASP 32 Cb 0.50 0.71 0.19 0.00 -0.02 0.00 0.00 41.12 42.49 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 2.81 0.00 0.64 4.77 -1.26 -4.14 117.00 119.81 2e9k n LEU 33 Ca -0.13 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 2e9k n LEU 33 Cb 0.62 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2e9k n LEU 33 CO 0.33 1.11 -0.24 0.35 -1.33 0.00 0.00 177.39 177.61 2e9k n THR 34 N -1.20 0.00 -0.12 -5.08 -2.24 -1.26 -4.71 114.28 99.67 2e9k n THR 34 Ca 0.20 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.81 2e9k n THR 34 Cb 0.72 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.89 1.48 -0.05 4.28 -2.24 -1.26 -4.08 114.28 110.52 2e9k n THR 35 Ca 0.00 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2e9k n THR 35 Cb 0.24 -1.24 0.54 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.28 -0.72 3.42 0.02 -1.90 -0.24 113.55 114.41 2e9k h SER 36 Ca -0.57 0.01 -0.42 0.00 -0.84 0.00 0.00 61.79 59.97 2e9k h SER 36 Cb 1.97 -0.05 -0.24 0.00 0.14 0.00 0.00 62.40 64.22 2e9k h SER 36 CO -0.06 0.17 0.27 0.79 -1.14 0.00 0.00 176.83 176.85 2e9k n TRP 37 N -4.46 2.30 0.05 3.45 7.02 -1.26 -3.99 117.44 120.55 2e9k n TRP 37 Ca 0.09 -2.01 -0.19 0.00 -1.02 0.00 0.00 57.50 54.37 2e9k n TRP 37 Cb 0.40 -0.81 -0.14 0.00 -2.42 0.00 0.00 31.31 28.34 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 1.29 0.28 0.12 -0.99 0.11 -1.18 -3.38 114.38 110.63 2e9k h ARG 38 Ca 0.45 -0.48 -0.35 0.00 0.10 0.00 0.00 59.98 59.70 2e9k h ARG 38 Cb 1.91 0.18 -0.02 0.00 1.11 0.00 0.00 29.97 33.15 2e9k h ARG 38 CO 0.88 1.15 -1.87 1.03 0.10 0.00 0.00 179.97 181.27 2e9k h SER 39 N 0.08 0.39 0.00 0.08 0.87 -1.79 -3.25 113.55 109.93 2e9k h SER 39 Ca -0.31 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 2e9k h SER 39 Cb 2.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 2e9k h SER 39 CO 0.15 1.81 0.00 0.61 -0.53 0.00 0.00 176.83 178.87 2e9k n GLY 40 N 1.91 2.85 0.29 5.77 0.00 -1.26 -3.45 105.19 111.30 2e9k n GLY 40 Ca -0.31 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.43 -0.23 0.99 4.77 -1.26 -0.12 117.00 120.72 2e9k n LEU 41 Ca 0.00 1.33 -0.11 0.00 -0.03 0.00 0.00 56.01 57.19 2e9k n LEU 41 Cb 0.00 -0.33 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 2e9k n LEU 41 CO 0.00 -1.22 0.49 0.00 -1.33 0.00 0.00 177.39 175.33 2e9k h ALA 42 N 1.19 -0.64 0.82 -1.18 0.00 -1.95 0.47 119.26 117.98 2e9k h ALA 42 Ca 0.30 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2e9k h ALA 42 Cb 0.49 1.19 0.01 0.00 0.00 0.00 0.00 17.79 19.47 2e9k h ALA 42 CO -0.77 -0.93 -0.39 1.25 0.00 0.00 0.00 179.25 178.41 2e9k h LEU 43 N -0.21 -0.93 -1.41 0.00 5.85 -0.83 -2.88 115.31 114.89 2e9k h LEU 43 Ca 0.10 0.03 0.43 0.00 0.84 0.00 0.00 57.88 59.27 2e9k h LEU 43 Cb 0.47 0.24 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 2e9k h LEU 43 CO -0.66 -0.58 0.84 0.00 -0.34 0.00 0.00 178.44 177.71 2e9k h ALA 45 N 1.60 1.03 0.53 0.00 0.00 0.16 0.19 119.26 122.77 2e9k h ALA 45 Ca 0.81 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.56 2e9k h ALA 45 Cb 2.52 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 20.00 2e9k h ALA 45 CO -0.41 0.55 -0.26 0.82 0.00 0.00 0.00 179.25 179.95 2e9k h ILE 46 N 1.11 0.47 0.53 0.00 2.04 0.12 -2.01 117.51 119.77 2e9k h ILE 46 Ca 0.28 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 2e9k h ILE 46 Cb 0.05 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2e9k h ILE 46 CO -0.04 0.01 -0.26 0.40 0.00 0.00 0.00 178.15 178.26 2e9k h ILE 47 N -0.74 0.40 -1.28 -0.67 2.04 -1.42 -2.87 117.51 112.97 2e9k h ILE 47 Ca -0.07 -0.30 0.40 0.00 1.00 0.00 0.00 64.86 65.89 2e9k h ILE 47 Cb 0.56 0.51 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 2e9k h ILE 47 CO 0.12 0.04 0.83 -0.74 0.00 0.00 0.00 178.15 178.41 2e9k h HIS 48 N -0.92 0.52 0.48 1.37 2.76 -0.66 0.52 115.15 119.22 2e9k h HIS 48 Ca -0.07 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 2e9k h HIS 48 Cb 0.62 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2e9k h HIS 48 CO -0.00 -0.15 -0.23 -0.09 -1.30 0.00 0.00 177.93 176.16 2e9k h ARG 49 N 0.14 -0.62 0.46 5.26 9.65 -1.14 -1.54 114.38 126.59 2e9k h ARG 49 Ca 0.77 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 59.67 2e9k h ARG 49 Cb 2.40 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 31.13 2e9k h ARG 49 CO -0.37 -0.42 -0.22 0.74 2.80 0.00 0.00 179.97 182.50 2e9k h PHE 50 N -0.76 -0.57 -3.16 2.20 -1.00 -1.04 -3.38 116.94 109.23 2e9k h PHE 50 Ca -0.07 -0.01 -0.62 0.00 2.81 0.00 0.00 57.97 60.08 2e9k h PHE 50 Cb 0.50 0.19 -0.41 0.00 3.61 0.00 0.00 35.95 39.84 2e9k h PHE 50 CO 0.08 -0.30 -0.69 1.03 -1.61 0.00 0.00 178.31 176.82 2e9k s ARG 51 N -5.61 1.63 0.47 1.51 1.81 0.17 -4.94 118.95 114.00 2e9k s ARG 51 Ca -0.16 -2.33 0.26 0.00 -1.72 0.00 0.00 55.73 51.78 2e9k s ARG 51 Cb 0.03 -2.80 1.10 0.00 -0.45 0.00 0.00 34.95 32.83 2e9k s ARG 51 CO 0.60 -1.15 1.90 -1.00 -0.68 0.00 0.00 175.30 174.97 2e9k h PRO 52 N 6.56 0.00 -0.26 3.54 0.13 -1.41 -2.95 132.00 137.61 2e9k h PRO 52 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 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 0.58 0.18 0.11 1.49 -0.23 0.00 0.00 178.00 180.13 2e9k h GLU 53 N 0.00 0.36 0.01 0.86 4.57 -1.92 -2.87 114.58 115.58 2e9k h GLU 53 Ca -0.00 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2e9k h GLU 53 Cb 0.63 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2e9k h GLU 53 CO 0.02 0.30 -0.21 -0.07 -1.18 0.00 0.00 179.01 177.87 2e9k h LEU 54 N 0.37 0.18 -8.07 1.64 3.38 -1.90 -3.44 115.31 107.46 2e9k h LEU 54 Ca 0.09 -0.81 -0.61 0.00 0.09 0.00 0.00 57.88 56.64 2e9k h LEU 54 Cb 0.07 -0.05 -0.34 0.00 0.09 0.00 0.00 40.66 40.43 2e9k h LEU 54 CO -0.01 0.97 -0.85 -0.63 0.09 0.00 0.00 178.44 178.01 2e9k s ILE 55 N -2.98 1.68 -0.72 1.22 1.01 -1.08 -5.06 121.20 115.26 2e9k s ILE 55 Ca -0.16 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.70 2e9k s ILE 55 Cb 0.00 -1.51 0.18 0.00 0.01 0.00 0.00 42.46 41.14 2e9k s ILE 55 CO 0.73 0.48 0.56 0.54 0.00 0.00 0.00 174.94 177.25 2e9k s ASN 56 N 0.92 5.53 0.31 3.58 4.22 -1.24 -4.45 114.94 123.80 2e9k s ASN 56 Ca -0.07 -3.12 0.11 0.00 -2.14 0.00 0.00 52.86 47.65 2e9k s ASN 56 Cb -0.15 -1.89 0.97 0.00 1.28 0.00 0.00 41.25 41.46 2e9k s ASN 56 CO -0.01 -0.32 1.40 0.33 -2.04 0.00 0.00 177.10 176.45 2e9k n PHE 57 N 3.15 0.83 -0.27 1.54 7.35 -1.26 0.26 117.46 129.06 2e9k n PHE 57 Ca 0.12 1.06 0.16 0.00 -0.76 0.00 0.00 57.45 58.04 2e9k n PHE 57 Cb 0.38 -1.33 0.31 0.00 0.35 0.00 0.00 39.48 39.19 2e9k n PHE 57 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2e9k n ASP 58 N -5.14 0.03 0.06 -2.13 9.92 -1.26 0.10 116.55 118.12 2e9k n ASP 58 Ca 0.28 1.35 -0.20 0.00 -0.53 0.00 0.00 54.79 55.68 2e9k n ASP 58 Cb 0.94 -0.54 -0.14 0.00 -0.64 0.00 0.00 41.12 40.74 2e9k n ASP 58 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2e9k h SER 59 N 0.00 0.57 -0.94 -2.24 0.87 -0.63 -3.44 113.55 107.74 2e9k h SER 59 Ca 0.55 -0.90 -0.51 0.00 -1.23 0.00 0.00 61.79 59.70 2e9k h SER 59 Cb 1.25 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2e9k h SER 59 CO -0.71 1.41 1.64 0.18 -0.53 0.00 0.00 176.83 178.83 2e9k n LEU 60 N -4.07 1.56 -4.84 2.23 4.77 0.29 -4.91 117.00 112.04 2e9k n LEU 60 Ca -0.13 -0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.36 2e9k n LEU 60 Cb 0.84 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 2e9k n LEU 60 CO 0.51 -1.13 0.05 0.21 -1.33 0.00 0.00 177.39 175.70 2e9k s ASN 61 N 10.24 6.72 0.17 -1.43 2.47 -1.26 -4.93 114.94 126.91 2e9k s ASN 61 Ca 1.14 0.86 -0.25 0.00 0.42 0.00 0.00 52.86 55.02 2e9k s ASN 61 Cb -0.68 -2.22 0.02 0.00 -1.45 0.00 0.00 41.25 36.93 2e9k s ASN 61 CO 0.38 0.32 1.44 -0.62 -3.72 0.00 0.00 177.10 174.90 2e9k n GLU 62 N 1.98 -0.35 0.27 0.43 1.02 -1.26 0.24 120.64 122.96 2e9k n GLU 62 Ca -0.15 1.42 0.13 0.00 -0.02 0.00 0.00 57.16 58.54 2e9k n GLU 62 Cb 0.53 -2.09 0.75 0.00 -0.02 0.00 0.00 31.44 30.61 2e9k n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2e9k h ASP 63 N 0.00 0.00 0.00 1.62 5.19 -2.00 -3.06 116.42 118.17 2e9k h ASP 63 Ca 0.20 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.53 2e9k h ASP 63 Cb 0.44 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.91 2e9k h ASP 63 CO -0.89 0.10 -0.16 0.47 -3.12 0.00 0.00 179.24 175.64 2e9k n ASP 64 N -3.66 5.01 0.32 6.45 9.92 0.66 -4.47 116.55 130.78 2e9k n ASP 64 Ca -0.02 -2.38 -0.16 0.00 -0.53 0.00 0.00 54.79 51.70 2e9k n ASP 64 Cb 0.22 -1.20 -0.08 0.00 -0.64 0.00 0.00 41.12 39.41 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 2.12 -0.80 -0.71 2.24 0.00 -1.58 0.08 119.26 120.61 2e9k h ALA 65 Ca 0.09 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 54.96 2e9k h ALA 65 Cb 1.18 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 2e9k h ALA 65 CO 0.12 -0.88 0.04 0.28 0.00 0.00 0.00 179.25 178.81 2e9k h VAL 66 N -0.93 0.42 -0.21 0.00 2.07 -1.79 0.27 116.25 116.09 2e9k h VAL 66 Ca -0.08 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 2e9k h VAL 66 Cb 0.65 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2e9k h VAL 66 CO 0.13 0.03 0.04 -0.33 0.02 0.00 0.00 177.57 177.46 2e9k h GLU 67 N 0.14 0.35 0.69 1.57 4.39 -1.89 -1.99 114.58 117.84 2e9k h GLU 67 Ca 0.39 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.97 2e9k h GLU 67 Cb 0.66 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2e9k h GLU 67 CO -0.59 0.49 -0.45 -0.91 -1.16 0.00 0.00 179.01 176.39 2e9k h ASN 68 N 0.15 -1.14 -0.03 1.42 2.35 0.53 -1.70 115.58 117.16 2e9k h ASN 68 Ca 0.06 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2e9k h ASN 68 Cb 0.31 0.34 -0.06 0.00 0.05 0.00 0.00 38.32 38.96 2e9k h ASN 68 CO 0.00 -0.68 -0.52 0.78 -1.65 0.00 0.00 177.43 175.36 2e9k h ASN 69 N -1.08 -1.61 -0.87 5.81 2.35 -0.57 -1.06 115.58 118.55 2e9k h ASN 69 Ca -0.09 0.19 0.23 0.00 -0.55 0.00 0.00 56.30 56.08 2e9k h ASN 69 Cb 0.88 0.62 -0.14 0.00 0.05 0.00 0.00 38.32 39.72 2e9k h ASN 69 CO 0.08 -0.51 0.21 -0.61 -1.65 0.00 0.00 177.43 174.95 2e9k h GLN 70 N -0.64 0.19 0.19 0.81 -0.00 -1.32 -1.53 115.11 112.81 2e9k h GLN 70 Ca 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2e9k h GLN 70 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.14 2e9k h GLN 70 CO -0.37 0.12 -0.11 1.25 0.00 0.00 0.00 178.83 179.72 2e9k h LEU 71 N 0.19 -0.27 -1.29 -2.39 5.85 -0.26 0.99 115.31 118.14 2e9k h LEU 71 Ca 0.54 0.01 0.45 0.00 0.84 0.00 0.00 57.88 59.73 2e9k h LEU 71 Cb 1.09 0.08 -0.15 0.00 0.37 0.00 0.00 40.66 42.04 2e9k h LEU 71 CO -0.66 -0.17 0.79 0.00 -0.34 0.00 0.00 178.44 178.05 2e9k h ALA 72 N -1.78 2.63 0.17 1.25 0.00 -0.73 0.31 119.26 121.11 2e9k h ALA 72 Ca -0.03 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2e9k h ALA 72 Cb 0.22 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2e9k h ALA 72 CO 0.03 -1.35 -0.08 0.74 0.00 0.00 0.00 179.25 178.60 2e9k h PHE 73 N 0.02 -0.21 -0.70 0.00 0.04 -0.97 -2.48 116.94 112.63 2e9k h PHE 73 Ca 0.86 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.77 2e9k h PHE 73 Cb 2.63 0.07 -0.10 0.00 2.20 0.00 0.00 35.95 40.75 2e9k h PHE 73 CO -0.01 0.22 0.22 -0.44 -0.60 0.00 0.00 178.31 177.71 2e9k h ASP 74 N -0.82 0.13 -0.24 2.17 5.19 0.21 1.00 116.42 124.07 2e9k h ASP 74 Ca -0.02 0.12 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 2e9k h ASP 74 Cb 0.53 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2e9k h ASP 74 CO 0.04 0.04 -0.01 0.58 -3.12 0.00 0.00 179.24 176.77 2e9k h VAL 75 N 0.35 1.20 -0.25 -1.35 2.07 -1.11 0.10 116.25 117.26 2e9k h VAL 75 Ca 0.39 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2e9k h VAL 75 Cb 0.60 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2e9k h VAL 75 CO -0.43 0.28 -0.15 0.00 0.02 0.00 0.00 177.57 177.29 2e9k h ALA 76 N 1.47 1.28 0.00 1.67 0.00 -0.35 0.30 119.26 123.63 2e9k h ALA 76 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2e9k h ALA 76 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2e9k h ALA 76 CO 0.01 0.48 -0.62 -1.91 0.00 0.00 0.00 179.25 177.21 2e9k n GLU 77 N -4.20 0.13 -0.05 0.00 0.00 -0.66 0.18 120.64 116.04 2e9k n GLU 77 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 57.16 57.03 2e9k n GLU 77 Cb 0.32 -1.57 -0.14 0.00 0.00 0.00 0.00 31.44 30.06 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 -1.76 0.69 -0.11 5.31 0.63 -0.02 -3.43 116.66 117.98 2e9k n ARG 78 Ca 0.04 0.20 -0.18 0.00 -0.92 0.00 0.00 57.85 56.99 2e9k n ARG 78 Cb 0.38 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 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 -3.19 0.52 0.12 -0.14 -0.58 0.10 -4.62 120.64 112.85 2e9k n GLU 79 Ca -0.32 0.22 0.05 0.00 -0.42 0.00 0.00 57.16 56.69 2e9k n GLU 79 Cb 1.05 -1.40 0.02 0.00 -0.57 0.00 0.00 31.44 30.54 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 -0.94 0.00 -2.59 -0.32 0.04 -1.41 -3.48 116.94 108.25 2e9k h PHE 80 Ca -0.33 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.22 2e9k h PHE 80 Cb 1.26 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.44 2e9k h PHE 80 CO -0.25 0.33 -0.33 0.41 -0.60 0.00 0.00 178.31 177.88 2e9k n GLY 81 N 1.24 0.01 3.61 -1.45 0.00 0.47 -4.91 105.19 104.17 2e9k n GLY 81 Ca -0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.86 4.93 0.18 -0.61 1.01 -0.19 -4.84 121.20 118.82 2e9k s ILE 82 Ca 0.15 0.03 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 2e9k s ILE 82 Cb -0.07 -3.27 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 2e9k s ILE 82 CO 0.19 0.39 1.31 -2.16 0.00 0.00 0.00 174.94 174.67 2e9k s PRO 83 N 0.89 4.38 0.69 2.79 0.04 -1.26 -3.62 135.00 138.91 2e9k s PRO 83 Ca 0.05 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 2e9k s PRO 83 Cb -0.13 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.21 2e9k s PRO 83 CO 0.03 -0.27 1.11 -1.25 0.04 0.00 0.00 177.00 176.65 2e9k s PRO 84 N 0.08 2.66 -0.19 0.56 0.04 -1.26 -4.99 135.00 131.90 2e9k s PRO 84 Ca 0.58 1.34 0.12 0.00 0.04 0.00 0.00 61.00 63.08 2e9k s PRO 84 Cb -0.36 -1.94 -0.23 0.00 0.04 0.00 0.00 34.50 32.01 2e9k s PRO 84 CO 0.37 -1.35 0.07 1.33 0.04 0.00 0.00 177.00 177.46 2e9k n VAL 85 N -2.68 1.46 -4.20 -0.36 0.24 -1.26 -5.01 118.33 106.51 2e9k n VAL 85 Ca 0.10 -0.77 -0.12 0.00 -2.04 0.00 0.00 64.34 61.51 2e9k n VAL 85 Cb 0.52 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 31.98 2e9k n VAL 85 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2e9k s THR 86 N -2.51 0.69 -0.03 3.34 -1.32 -1.26 -5.15 115.64 109.40 2e9k s THR 86 Ca -0.16 -1.96 -0.16 0.00 -1.21 0.00 0.00 61.69 58.19 2e9k s THR 86 Cb 0.07 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 69.12 2e9k s THR 86 CO 0.77 -0.69 0.45 0.42 -2.21 0.00 0.00 174.62 173.36 2e9k s THR 87 N -3.64 5.04 0.27 5.08 -4.23 -1.26 -4.92 115.64 111.99 2e9k s THR 87 Ca 0.18 0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 61.58 2e9k s THR 87 Cb 0.06 -3.77 0.40 0.00 1.34 0.00 0.00 72.50 70.53 2e9k s THR 87 CO -0.01 0.49 1.43 0.61 -0.54 0.00 0.00 174.62 176.61 2e9k n GLY 88 N 2.30 -1.40 0.45 3.99 0.00 -1.26 -0.29 105.19 108.98 2e9k n GLY 88 Ca -0.11 0.94 -0.16 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.73 -0.72 1.61 1.57 -1.94 -2.21 116.57 114.16 2e9k h LYS 89 Ca 0.50 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.35 2e9k h LYS 89 Cb 0.91 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 2e9k h LYS 89 CO -0.90 -0.49 0.46 0.93 -0.57 0.00 0.00 179.45 178.88 2e9k h GLU 90 N -0.76 0.88 -0.84 3.15 5.08 -1.13 0.84 114.58 121.80 2e9k h GLU 90 Ca -0.00 -0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 2e9k h GLU 90 Cb 0.74 -0.20 -0.13 0.00 0.50 0.00 0.00 28.75 29.66 2e9k h GLU 90 CO -0.21 0.58 0.23 1.98 -1.00 0.00 0.00 179.01 180.59 2e9k h MET 91 N 0.91 0.24 0.17 2.33 4.05 -0.14 0.50 114.93 122.99 2e9k h MET 91 Ca 0.28 -0.01 -0.32 0.00 -0.28 0.00 0.00 59.70 59.36 2e9k h MET 91 Cb -0.03 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 30.73 2e9k h MET 91 CO -0.09 0.16 -1.52 0.00 0.23 0.00 0.00 176.91 175.69 2e9k h ALA 92 N 1.73 0.10 0.69 0.39 0.00 -0.90 -3.38 119.26 117.88 2e9k h ALA 92 Ca 0.51 -1.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 2e9k h ALA 92 Cb 0.98 0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2e9k h ALA 92 CO -0.61 0.96 -0.33 1.03 0.00 0.00 0.00 179.25 180.31 2e9k h SER 93 N 0.10 -0.78 -1.38 0.00 0.87 0.74 -3.41 113.55 109.68 2e9k h SER 93 Ca -0.25 0.03 -0.68 0.00 -1.23 0.00 0.00 61.79 59.66 2e9k h SER 93 Cb 2.07 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 64.23 2e9k h SER 93 CO 0.20 -0.54 1.24 0.00 -0.53 0.00 0.00 176.83 177.21 2e9k n ALA 94 N -2.49 0.75 -0.14 6.23 0.00 0.16 -4.84 120.51 120.18 2e9k n ALA 94 Ca -0.11 0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2e9k n ALA 94 Cb 0.36 -2.46 -0.00 0.00 0.00 0.00 0.00 19.45 17.35 2e9k n ALA 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2e9k h GLN 95 N 10.58 0.60 -3.61 0.00 3.07 -1.88 -3.38 115.11 120.48 2e9k h GLN 95 Ca -0.36 -0.08 -0.61 0.00 0.09 0.00 0.00 58.65 57.69 2e9k h GLN 95 Cb 1.31 -0.11 -0.40 0.00 0.08 0.00 0.00 27.48 28.36 2e9k h GLN 95 CO 0.99 0.51 -0.73 -2.00 0.09 0.00 0.00 178.83 177.69 2e9k s GLU 96 N -5.74 1.12 1.18 0.06 2.12 -1.26 -4.90 118.70 111.27 2e9k s GLU 96 Ca -0.13 -1.61 -0.18 0.00 0.36 0.00 0.00 54.97 53.40 2e9k s GLU 96 Cb 0.11 -2.43 0.27 0.00 0.26 0.00 0.00 34.13 32.34 2e9k s GLU 96 CO 0.75 -1.04 1.11 -1.25 -0.54 0.00 0.00 175.26 174.29 2e9k s PRO 97 N 0.98 -1.01 -0.52 4.30 0.04 -1.26 -4.94 135.00 132.59 2e9k s PRO 97 Ca 0.13 0.01 -0.28 0.00 0.04 0.00 0.00 61.00 60.89 2e9k s PRO 97 Cb -0.20 -1.61 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2e9k s PRO 97 CO -0.12 -3.58 1.29 -0.51 0.04 0.00 0.00 177.00 174.11 2e9k s ASP 98 N -3.84 6.37 0.16 6.66 1.11 -1.26 -4.91 116.67 120.97 2e9k s ASP 98 Ca 0.70 0.39 -0.23 0.00 0.18 0.00 0.00 52.55 53.59 2e9k s ASP 98 Cb -0.11 -2.55 0.05 0.00 1.07 0.00 0.00 42.92 41.39 2e9k s ASP 98 CO 0.56 -1.49 1.60 0.50 1.18 0.00 0.00 175.17 177.52 2e9k h LYS 99 N 10.16 -0.25 0.17 8.23 3.11 -1.92 -0.83 116.57 135.25 2e9k h LYS 99 Ca -0.26 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.62 2e9k h LYS 99 Cb 1.08 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.32 2e9k h LYS 99 CO 1.15 -0.17 -0.44 -0.07 -2.81 0.00 0.00 179.45 177.11 2e9k h LEU 100 N -0.26 -1.30 -1.62 5.20 -0.00 -1.95 0.13 115.31 115.52 2e9k h LEU 100 Ca 0.17 0.14 0.30 0.00 -0.00 0.00 0.00 57.88 58.48 2e9k h LEU 100 Cb 0.54 0.48 -0.07 0.00 -0.00 0.00 0.00 40.66 41.60 2e9k h LEU 100 CO -0.53 -0.52 0.73 0.28 -0.00 0.00 0.00 178.44 178.41 2e9k h SER 101 N -0.71 0.26 -0.01 -0.43 0.02 -1.83 0.25 113.55 111.11 2e9k h SER 101 Ca 0.01 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2e9k h SER 101 Cb 0.71 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2e9k h SER 101 CO -0.23 0.04 -0.06 0.24 -1.14 0.00 0.00 176.83 175.69 2e9k h MET 102 N 0.22 0.05 -1.00 3.45 2.86 0.29 -1.46 114.93 119.34 2e9k h MET 102 Ca 0.58 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 58.18 2e9k h MET 102 Cb 1.80 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 33.42 2e9k h MET 102 CO -0.18 0.77 0.66 0.28 1.06 0.00 0.00 176.91 179.50 2e9k h VAL 103 N -0.65 1.26 -0.19 -2.22 2.07 0.11 0.49 116.25 117.12 2e9k h VAL 103 Ca -0.01 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 2e9k h VAL 103 Cb 0.78 -0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2e9k h VAL 103 CO 0.01 0.25 -0.28 0.00 0.02 0.00 0.00 177.57 177.57 2e9k h MET 104 N 1.36 0.52 -0.47 1.57 -0.00 -0.68 -2.20 114.93 115.03 2e9k h MET 104 Ca 0.37 -0.31 -0.01 0.00 -0.00 0.00 0.00 59.70 59.74 2e9k h MET 104 Cb -0.16 0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.45 2e9k h MET 104 CO -0.08 0.91 0.24 -0.92 -0.00 0.00 0.00 176.91 177.06 2e9k h TYR 105 N 0.18 0.67 -0.37 -0.10 3.20 -0.95 -2.94 116.97 116.66 2e9k h TYR 105 Ca 0.02 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2e9k h TYR 105 Cb 0.86 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2e9k h TYR 105 CO 0.09 0.52 0.19 -0.07 -1.64 0.00 0.00 178.16 177.25 2e9k h LEU 106 N 0.62 0.47 -1.00 2.82 3.38 -0.93 -2.79 115.31 117.89 2e9k h LEU 106 Ca 0.16 -0.11 0.37 0.00 0.09 0.00 0.00 57.88 58.39 2e9k h LEU 106 Cb 0.09 -0.12 -0.18 0.00 0.09 0.00 0.00 40.66 40.54 2e9k h LEU 106 CO -0.02 0.45 0.36 -0.24 0.09 0.00 0.00 178.44 179.07 2e9k n SER 107 N -4.74 0.19 -0.16 -0.43 2.88 -0.83 0.75 113.62 111.28 2e9k n SER 107 Ca -0.00 1.67 -0.02 0.00 -1.33 0.00 0.00 58.87 59.18 2e9k n SER 107 Cb 0.10 -0.74 0.05 0.00 -0.75 0.00 0.00 64.21 62.86 2e9k n SER 107 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2e9k h LYS 108 N 0.00 0.07 -0.14 -1.46 1.57 -1.53 0.12 116.57 115.20 2e9k h LYS 108 Ca 0.76 -0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.43 2e9k h LYS 108 Cb 1.90 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.19 2e9k h LYS 108 CO -0.83 0.05 -0.35 0.74 -0.57 0.00 0.00 179.45 178.48 2e9k h PHE 109 N 0.07 0.63 0.11 -1.35 0.04 0.19 -2.13 116.94 114.50 2e9k h PHE 109 Ca 0.25 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.80 2e9k h PHE 109 Cb 0.38 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.37 2e9k h PHE 109 CO -0.35 0.98 -0.42 -0.92 -0.60 0.00 0.00 178.31 177.00 2e9k h TYR 110 N 0.11 -1.18 0.64 -0.55 3.20 -0.50 0.22 116.97 118.90 2e9k h TYR 110 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2e9k h TYR 110 Cb 0.96 0.50 0.01 0.00 1.54 0.00 0.00 36.73 39.74 2e9k h TYR 110 CO 0.10 -0.52 -0.31 0.93 -1.64 0.00 0.00 178.16 176.73 2e9k h GLU 111 N -0.64 -0.83 -0.53 1.82 5.08 -0.87 0.25 114.58 118.85 2e9k h GLU 111 Ca 0.02 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2e9k h GLU 111 Cb 0.68 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 30.01 2e9k h GLU 111 CO -0.25 -0.55 -0.31 1.25 -1.00 0.00 0.00 179.01 178.15 2e9k h LEU 112 N -0.88 -1.07 0.12 1.33 5.85 -1.24 0.28 115.31 119.70 2e9k h LEU 112 Ca -0.09 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2e9k h LEU 112 Cb 0.67 0.53 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2e9k h LEU 112 CO 0.14 -0.30 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.63 2e9k h PHE 113 N -0.17 -0.15 0.07 1.25 0.04 -0.49 -3.25 116.94 114.23 2e9k h PHE 113 Ca 0.22 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.00 2e9k h PHE 113 Cb 0.54 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.70 2e9k h PHE 113 CO -0.59 0.03 -0.41 -0.09 -0.60 0.00 0.00 178.31 176.65 2e9k h ARG 114 N -0.31 -0.54 0.00 1.51 2.43 0.39 -3.49 114.38 114.37 2e9k h ARG 114 Ca -0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2e9k h ARG 114 Cb 0.25 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2e9k h ARG 114 CO 0.03 -0.36 0.00 0.41 -1.51 0.00 0.00 179.97 178.54 2e9k n GLY 115 N -1.36 -0.44 3.87 2.80 0.00 0.90 -5.08 105.19 105.87 2e9k n GLY 115 Ca -0.06 0.58 -0.37 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 5.34 0.94 2.61 -1.32 -1.26 -4.38 115.64 117.57 2e9k s THR 116 Ca 0.00 0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 60.73 2e9k s THR 116 Cb 0.00 -3.52 0.16 0.00 -1.51 0.00 0.00 72.50 67.63 2e9k s THR 116 CO 0.00 0.56 1.09 -2.16 -2.21 0.00 0.00 174.62 171.90 2e9k s PRO 117 N -1.18 0.86 0.24 7.08 0.04 -1.26 -4.99 135.00 135.80 2e9k s PRO 117 Ca 0.20 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.80 2e9k s PRO 117 Cb -0.14 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 2e9k s PRO 117 CO 0.09 -2.47 0.60 -0.51 0.04 0.00 0.00 177.00 174.74 2e9k s LEU 118 N -6.33 4.16 0.54 -3.56 1.43 -1.26 -5.04 118.68 108.62 2e9k s LEU 118 Ca 0.64 1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 54.57 2e9k s LEU 118 Cb -0.18 -3.74 -0.06 0.00 0.03 0.00 0.00 46.19 42.24 2e9k s LEU 118 CO 0.57 -0.09 1.13 -2.11 0.23 0.00 0.00 176.35 176.08 2e9k n ARG 119 N -0.08 1.30 -2.05 1.70 1.85 -1.26 -4.86 116.66 113.25 2e9k n ARG 119 Ca 0.01 0.48 -0.40 0.00 -1.00 0.00 0.00 57.85 56.94 2e9k n ARG 119 Cb 0.52 -2.30 -0.03 0.00 -1.05 0.00 0.00 32.46 29.61 2e9k n ARG 119 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2e9k s PRO 120 N -2.65 2.93 0.00 2.89 0.04 -1.26 -5.35 135.00 131.61 2e9k s PRO 120 Ca 0.71 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.66 2e9k s PRO 120 Cb -0.45 -4.30 0.04 0.00 0.04 0.00 0.00 34.50 29.83 2e9k s PRO 120 CO 0.50 -2.35 0.53 1.33 0.04 0.00 0.00 177.00 177.05