#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 3.47 -0.01 1.61 0.15 -1.26 -5.11 113.70 112.56 2e9k s SER 2 Ca 0.00 -1.18 -0.30 0.00 0.70 0.00 0.00 55.95 55.17 2e9k s SER 2 Cb 0.00 -0.77 0.11 0.00 -1.71 0.00 0.00 66.02 63.65 2e9k s SER 2 CO 0.00 -0.34 1.21 -0.94 1.20 0.00 0.00 173.24 174.37 2e9k s SER 3 N 1.71 -0.10 -0.24 5.45 1.04 -1.26 -5.14 113.70 115.15 2e9k s SER 3 Ca 0.02 -0.16 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 2e9k s SER 3 Cb -0.17 0.22 0.08 0.00 0.10 0.00 0.00 66.02 66.25 2e9k s SER 3 CO -0.15 -0.41 0.06 -0.83 0.98 0.00 0.00 173.24 172.90 2e9k s GLY 4 N -2.85 0.83 0.06 7.32 0.00 -1.26 -5.13 107.32 106.30 2e9k s GLY 4 Ca 0.13 -1.09 -0.09 0.00 0.00 0.00 0.00 44.72 43.67 2e9k s GLY 4 CO -0.03 1.53 0.37 -0.45 0.00 0.00 0.00 173.10 174.51 2e9k s SER 5 N 1.78 6.60 -0.03 1.64 0.15 -1.26 -5.10 113.70 117.48 2e9k s SER 5 Ca 0.03 0.73 -0.03 0.00 0.70 0.00 0.00 55.95 57.39 2e9k s SER 5 Cb -0.17 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2e9k s SER 5 CO -0.16 0.19 0.08 -0.55 1.20 0.00 0.00 173.24 174.00 2e9k s SER 6 N -1.76 -0.08 0.00 5.45 0.15 -1.26 -5.10 113.70 111.10 2e9k s SER 6 Ca 0.32 0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2e9k s SER 6 Cb -0.14 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2e9k s SER 6 CO 0.18 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2e9k n GLY 7 N 3.14 -0.16 3.65 9.45 0.00 -1.26 -5.16 105.19 114.85 2e9k n GLY 7 Ca -0.14 0.55 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 2e9k n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2e9k s ASP 8 N 2.00 2.29 -0.18 1.61 -4.77 -1.26 -4.95 116.67 111.41 2e9k s ASP 8 Ca 0.00 1.20 -0.29 0.00 -3.30 0.00 0.00 52.55 50.16 2e9k s ASP 8 Cb 0.00 -1.88 -0.01 0.00 -1.09 0.00 0.00 42.92 39.94 2e9k s ASP 8 CO 0.00 -3.34 1.17 -0.63 0.70 0.00 0.00 175.17 173.07 2e9k s ILE 9 N -2.90 4.43 -0.04 2.11 1.01 -1.26 -4.95 121.20 119.61 2e9k s ILE 9 Ca 0.66 1.73 -0.19 0.00 0.00 0.00 0.00 60.65 62.85 2e9k s ILE 9 Cb -0.19 -4.12 -0.13 0.00 0.01 0.00 0.00 42.46 38.03 2e9k s ILE 9 CO 0.59 -0.14 0.81 0.03 0.00 0.00 0.00 174.94 176.23 2e9k h ARG 10 N 7.86 -0.37 -0.24 2.79 3.08 -2.04 -3.18 114.38 122.28 2e9k h ARG 10 Ca -0.24 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2e9k h ARG 10 Cb 1.09 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2e9k h ARG 10 CO 0.96 -0.07 0.00 -0.35 -1.07 0.00 0.00 179.97 179.45 2e9k n PRO 11 N -5.04 0.49 -0.08 0.04 -0.04 -1.26 -3.31 135.00 125.80 2e9k n PRO 11 Ca -0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 2e9k n PRO 11 Cb 0.24 -1.12 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.25 0.00 -0.41 3.54 0.87 -1.96 -3.32 113.55 112.52 2e9k h SER 12 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2e9k h SER 12 Cb 0.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 2e9k h SER 12 CO 0.00 0.98 0.27 0.11 -0.53 0.00 0.00 176.83 177.66 2e9k h LYS 13 N -1.00 0.54 -0.14 2.24 1.57 -1.71 -3.11 116.57 114.97 2e9k h LYS 13 Ca -0.11 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2e9k h LYS 13 Cb 0.74 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 2e9k h LYS 13 CO -0.07 0.36 -0.43 1.25 -0.57 0.00 0.00 179.45 179.99 2e9k h LEU 14 N 0.56 -1.38 -1.00 2.94 5.85 -1.77 -1.68 115.31 118.82 2e9k h LEU 14 Ca 0.15 0.17 0.19 0.00 0.84 0.00 0.00 57.88 59.22 2e9k h LEU 14 Cb -0.06 0.54 -0.18 0.00 0.37 0.00 0.00 40.66 41.33 2e9k h LEU 14 CO -0.03 -0.37 -0.29 -0.11 -0.34 0.00 0.00 178.44 177.29 2e9k n LEU 15 N -4.83 -0.45 -0.24 2.25 7.94 -1.18 -0.54 117.00 119.95 2e9k n LEU 15 Ca -0.05 1.72 -0.10 0.00 -1.11 0.00 0.00 56.01 56.48 2e9k n LEU 15 Cb 0.30 -0.48 -0.06 0.00 0.53 0.00 0.00 43.42 43.70 2e9k n LEU 15 CO 0.06 -1.62 0.53 0.74 -1.11 0.00 0.00 177.39 175.99 2e9k h THR 16 N 0.00 0.04 -0.02 1.96 2.02 -1.26 0.11 112.91 115.75 2e9k h THR 16 Ca 0.44 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.64 2e9k h THR 16 Cb 0.69 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 2e9k h THR 16 CO -1.01 0.00 -0.45 -0.25 0.37 0.00 0.00 175.52 174.18 2e9k h TRP 17 N -0.22 -1.31 -0.60 3.16 7.01 -0.68 -0.05 115.95 123.25 2e9k h TRP 17 Ca 0.16 0.04 0.12 0.00 2.11 0.00 0.00 58.89 61.32 2e9k h TRP 17 Cb 0.55 0.58 -0.12 0.00 -2.10 0.00 0.00 29.16 28.06 2e9k h TRP 17 CO -0.79 -0.47 -0.22 0.00 -2.79 0.00 0.00 178.44 174.17 2e9k h GLN 19 N -0.07 0.45 0.50 0.00 4.20 -0.16 -0.81 115.11 119.22 2e9k h GLN 19 Ca 0.28 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.94 2e9k h GLN 19 Cb 0.50 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2e9k h GLN 19 CO -0.66 0.30 -0.24 1.96 -0.67 0.00 0.00 178.83 179.52 2e9k h GLN 20 N 0.47 -0.65 -0.79 1.46 1.08 0.10 -2.60 115.11 114.18 2e9k h GLN 20 Ca 0.33 0.04 0.18 0.00 -1.45 0.00 0.00 58.65 57.75 2e9k h GLN 20 Cb 0.41 0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 27.87 2e9k h GLN 20 CO -0.31 -0.37 0.26 1.96 -0.95 0.00 0.00 178.83 179.42 2e9k h GLN 21 N -0.83 0.32 -1.23 1.46 1.08 -0.55 0.22 115.11 115.59 2e9k h GLN 21 Ca -0.07 -0.02 -0.42 0.00 -1.45 0.00 0.00 58.65 56.69 2e9k h GLN 21 Cb 0.58 -0.07 -0.20 0.00 -0.05 0.00 0.00 27.48 27.74 2e9k h GLN 21 CO 0.11 0.21 0.55 0.25 -0.95 0.00 0.00 178.83 179.00 2e9k n THR 22 N -5.11 2.91 -3.17 -0.54 -2.24 -0.34 -4.89 114.28 100.90 2e9k n THR 22 Ca 0.17 -1.87 -0.41 0.00 -2.27 0.00 0.00 64.05 59.67 2e9k n THR 22 Cb 0.52 -1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.46 3.89 0.00 -0.78 2.12 0.78 -4.17 118.70 118.07 2e9k s GLU 23 Ca 0.42 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.96 2e9k s GLU 23 Cb 0.34 -3.72 0.00 0.00 0.26 0.00 0.00 34.13 31.00 2e9k s GLU 23 CO 0.02 -0.53 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2e9k n GLY 24 N 4.50 3.21 2.62 -1.50 0.00 -1.26 -5.07 105.19 107.68 2e9k n GLY 24 Ca -0.03 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.09 -3.35 1.61 4.02 -1.26 -4.90 117.16 111.19 2e9k n TYR 25 Ca 0.00 0.42 -0.34 0.00 -0.01 0.00 0.00 57.90 57.96 2e9k n TYR 25 Cb 0.00 -1.38 -0.06 0.00 -0.02 0.00 0.00 39.34 37.88 2e9k n TYR 25 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2e9k s GLN 26 N -0.80 3.94 -1.36 -0.72 0.00 -1.26 -4.03 119.66 115.43 2e9k s GLN 26 Ca 0.46 0.45 -0.02 0.00 -0.00 0.00 0.00 55.36 56.25 2e9k s GLN 26 Cb -0.44 -2.82 0.01 0.00 0.00 0.00 0.00 33.01 29.77 2e9k s GLN 26 CO 0.52 0.41 0.18 0.72 0.00 0.00 0.00 175.29 177.12 2e9k n HIS 27 N 0.45 -1.47 -3.77 9.60 8.25 -1.26 -4.93 115.22 122.09 2e9k n HIS 27 Ca -0.03 0.16 -0.30 0.00 -0.26 0.00 0.00 57.72 57.30 2e9k n HIS 27 Cb 0.52 -3.39 -0.14 0.00 1.12 0.00 0.00 29.99 28.11 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 -2.87 1.49 -0.32 1.59 1.01 -1.26 -5.02 120.40 115.03 2e9k s VAL 28 Ca 0.12 -2.36 -0.07 0.00 0.00 0.00 0.00 61.98 59.67 2e9k s VAL 28 Cb -0.06 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2e9k s VAL 28 CO 0.14 -0.81 0.10 0.21 0.00 0.00 0.00 175.10 174.74 2e9k s ASN 29 N 0.61 5.25 -0.47 3.32 3.84 -1.26 -4.87 114.94 121.36 2e9k s ASN 29 Ca 0.15 -0.96 -0.14 0.00 0.21 0.00 0.00 52.86 52.12 2e9k s ASN 29 Cb -0.23 -1.88 0.08 0.00 -0.55 0.00 0.00 41.25 38.67 2e9k s ASN 29 CO -0.06 -0.27 0.38 -0.69 -2.79 0.00 0.00 177.10 173.67 2e9k s VAL 30 N 1.45 5.06 -0.10 -5.21 1.01 -1.26 -4.73 120.40 116.62 2e9k s VAL 30 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.85 2e9k s VAL 30 Cb -0.19 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 2e9k s VAL 30 CO 0.03 -0.58 -0.08 0.35 0.00 0.00 0.00 175.10 174.81 2e9k n THR 31 N 5.16 0.60 -4.33 3.92 -2.24 -1.26 -4.96 114.28 111.17 2e9k n THR 31 Ca -0.12 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 2e9k n THR 31 Cb 0.43 -0.86 -0.04 0.00 -2.10 0.00 0.00 70.33 67.76 2e9k n THR 31 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2e9k n ASP 32 N -2.75 1.44 -0.55 3.42 -0.08 -1.26 -5.05 116.55 111.72 2e9k n ASP 32 Ca -0.18 -2.30 0.09 0.00 -1.51 0.00 0.00 54.79 50.89 2e9k n ASP 32 Cb 0.71 0.54 0.21 0.00 2.34 0.00 0.00 41.12 44.91 2e9k n ASP 32 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2e9k n LEU 33 N 0.00 3.23 0.00 -2.67 4.77 -1.26 -4.08 117.00 116.99 2e9k n LEU 33 Ca -0.05 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 52.92 2e9k n LEU 33 Cb 0.37 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2e9k n LEU 33 CO 0.19 0.69 -0.23 0.35 -1.33 0.00 0.00 177.39 177.06 2e9k n THR 34 N -0.86 0.00 -0.12 -5.08 -2.24 -1.26 -4.70 114.28 100.02 2e9k n THR 34 Ca 0.19 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.71 2e9k n THR 34 Cb 0.77 -0.40 -0.11 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.38 1.54 0.06 4.28 -2.24 -1.26 -3.76 114.28 111.52 2e9k n THR 35 Ca 0.00 -0.36 0.04 0.00 -2.27 0.00 0.00 64.05 61.46 2e9k n THR 35 Cb 0.23 -1.83 0.20 0.00 -2.10 0.00 0.00 70.33 66.83 2e9k n THR 35 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2e9k n SER 36 N -4.08 0.19 -0.14 3.42 3.41 -1.26 -0.05 113.62 115.11 2e9k n SER 36 Ca -0.47 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 58.78 2e9k n SER 36 Cb 0.87 -0.58 0.13 0.00 -0.26 0.00 0.00 64.21 64.37 2e9k n SER 36 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2e9k n TRP 37 N -1.74 0.09 -0.01 7.33 7.02 -1.26 -4.16 117.44 124.71 2e9k n TRP 37 Ca -0.00 -0.90 -0.17 0.00 -1.02 0.00 0.00 57.50 55.41 2e9k n TRP 37 Cb 0.05 -0.14 -0.10 0.00 -2.42 0.00 0.00 31.31 28.70 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 0.19 0.48 0.12 -0.99 0.11 -0.56 -3.32 114.38 110.42 2e9k h ARG 38 Ca 0.00 -0.45 -0.28 0.00 0.10 0.00 0.00 59.98 59.35 2e9k h ARG 38 Cb 0.95 0.11 0.03 0.00 1.11 0.00 0.00 29.97 32.17 2e9k h ARG 38 CO 0.02 1.09 -1.17 1.03 0.10 0.00 0.00 179.97 181.03 2e9k h SER 39 N 0.04 0.82 0.00 0.08 0.87 -1.84 -3.38 113.55 110.14 2e9k h SER 39 Ca -0.06 -0.84 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 2e9k h SER 39 Cb 1.24 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2e9k h SER 39 CO 0.11 1.57 0.00 0.61 -0.53 0.00 0.00 176.83 178.60 2e9k n GLY 40 N 1.41 2.61 0.33 5.77 0.00 -1.25 -3.56 105.19 110.50 2e9k n GLY 40 Ca -0.14 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.67 -0.07 0.99 4.77 -1.26 -1.14 117.00 119.62 2e9k n LEU 41 Ca 0.00 1.44 -0.02 0.00 -0.03 0.00 0.00 56.01 57.40 2e9k n LEU 41 Cb 0.00 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2e9k n LEU 41 CO 0.00 -1.24 0.35 0.00 -1.33 0.00 0.00 177.39 175.16 2e9k n ALA 42 N -3.49 -0.11 0.04 -1.18 0.00 -1.26 0.24 120.51 114.75 2e9k n ALA 42 Ca 0.06 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 2e9k n ALA 42 Cb 0.28 0.24 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.45 -1.27 0.00 5.85 -1.42 -1.63 115.31 116.40 2e9k h LEU 43 Ca 0.03 0.07 0.31 0.00 0.84 0.00 0.00 57.88 59.12 2e9k h LEU 43 Cb 0.07 0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 2e9k h LEU 43 CO -0.16 -0.21 0.68 0.00 -0.34 0.00 0.00 178.44 178.41 2e9k h ALA 45 N 1.67 0.16 -0.80 0.00 0.00 0.79 0.15 119.26 121.22 2e9k h ALA 45 Ca 0.67 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.65 2e9k h ALA 45 Cb 1.72 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.38 2e9k h ALA 45 CO -0.40 -0.32 0.41 0.82 0.00 0.00 0.00 179.25 179.77 2e9k h ILE 46 N 0.11 0.80 0.27 0.00 2.04 -0.58 0.20 117.51 120.36 2e9k h ILE 46 Ca 0.04 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2e9k h ILE 46 Cb 0.06 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2e9k h ILE 46 CO -0.01 0.12 -0.13 0.40 0.00 0.00 0.00 178.15 178.53 2e9k h ILE 47 N 0.65 0.50 -0.62 -0.67 2.04 -1.21 -3.29 117.51 114.91 2e9k h ILE 47 Ca 0.41 -0.87 0.13 0.00 1.00 0.00 0.00 64.86 65.53 2e9k h ILE 47 Cb 0.50 0.82 -0.10 0.00 -0.74 0.00 0.00 36.82 37.30 2e9k h ILE 47 CO -0.31 0.12 0.02 -0.74 0.00 0.00 0.00 178.15 177.24 2e9k h HIS 48 N -0.96 -0.01 -0.53 1.37 2.76 -0.50 0.30 115.15 117.57 2e9k h HIS 48 Ca -0.04 0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2e9k h HIS 48 Cb 0.48 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.48 2e9k h HIS 48 CO 0.05 -0.15 -0.33 -0.09 -1.30 0.00 0.00 177.93 176.10 2e9k h ARG 49 N 0.13 -0.02 0.06 5.26 1.12 -0.69 0.38 114.38 120.62 2e9k h ARG 49 Ca 0.33 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 59.20 2e9k h ARG 49 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 2e9k h ARG 49 CO -0.52 -0.01 -0.03 0.74 -3.11 0.00 0.00 179.97 177.04 2e9k h PHE 50 N -0.02 -0.07 -3.23 2.20 -1.00 -1.52 -3.40 116.94 109.90 2e9k h PHE 50 Ca 0.09 -0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.24 2e9k h PHE 50 Cb 0.24 0.02 -0.41 0.00 3.61 0.00 0.00 35.95 39.42 2e9k h PHE 50 CO -0.96 0.37 -0.68 1.03 -1.61 0.00 0.00 178.31 176.46 2e9k s ARG 51 N -4.30 1.65 0.45 1.51 1.81 1.00 -4.95 118.95 116.13 2e9k s ARG 51 Ca -0.15 -2.31 0.24 0.00 -1.72 0.00 0.00 55.73 51.78 2e9k s ARG 51 Cb 0.02 -2.89 1.03 0.00 -0.45 0.00 0.00 34.95 32.65 2e9k s ARG 51 CO 0.64 -1.12 1.88 -1.00 -0.68 0.00 0.00 175.30 175.02 2e9k h PRO 52 N 6.67 0.00 -0.06 3.54 0.13 -0.43 -2.90 132.00 138.95 2e9k h PRO 52 Ca -0.05 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 2e9k h PRO 52 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2e9k h PRO 52 CO 0.60 0.22 -0.21 1.05 -0.23 0.00 0.00 178.00 179.43 2e9k h GLU 53 N 0.00 0.09 -0.12 0.86 9.09 -1.92 -2.90 114.58 119.69 2e9k h GLU 53 Ca -0.00 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.27 2e9k h GLU 53 Cb 0.66 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 2e9k h GLU 53 CO 0.03 0.30 -0.38 -0.07 0.05 0.00 0.00 179.01 178.94 2e9k h LEU 54 N 0.09 0.54 -7.97 3.06 3.38 -1.88 -3.44 115.31 109.08 2e9k h LEU 54 Ca 0.02 -0.61 -0.45 0.00 0.09 0.00 0.00 57.88 56.93 2e9k h LEU 54 Cb 0.42 -0.16 -0.32 0.00 0.09 0.00 0.00 40.66 40.70 2e9k h LEU 54 CO 0.03 1.06 -0.79 -0.63 0.09 0.00 0.00 178.44 178.19 2e9k s ILE 55 N -3.81 0.86 -0.73 1.22 1.01 -1.09 -5.04 121.20 113.61 2e9k s ILE 55 Ca -0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 2e9k s ILE 55 Cb 0.05 -0.78 0.19 0.00 0.01 0.00 0.00 42.46 41.94 2e9k s ILE 55 CO 0.80 0.27 0.59 0.21 0.00 0.00 0.00 174.94 176.82 2e9k s ASN 56 N 0.31 5.74 0.20 3.58 2.47 -1.25 -4.54 114.94 121.46 2e9k s ASN 56 Ca -0.06 -3.02 -0.17 0.00 0.42 0.00 0.00 52.86 50.03 2e9k s ASN 56 Cb -0.10 -1.95 0.18 0.00 -1.45 0.00 0.00 41.25 37.93 2e9k s ASN 56 CO 0.01 -0.37 1.60 0.15 -3.72 0.00 0.00 177.10 174.77 2e9k h PHE 57 N 6.97 -0.68 -1.13 0.43 3.04 -1.91 0.24 116.94 123.90 2e9k h PHE 57 Ca 0.05 0.07 0.44 0.00 3.98 0.00 0.00 57.97 62.50 2e9k h PHE 57 Cb 0.94 0.39 -0.16 0.00 2.56 0.00 0.00 35.95 39.68 2e9k h PHE 57 CO 0.79 -0.34 0.66 -3.47 -2.02 0.00 0.00 178.31 173.92 2e9k n ASP 58 N -5.44 0.30 0.06 0.41 2.03 -1.26 0.12 116.55 112.76 2e9k n ASP 58 Ca 0.06 1.55 -0.21 0.00 0.52 0.00 0.00 54.79 56.71 2e9k n ASP 58 Cb 0.35 -0.76 -0.13 0.00 -0.72 0.00 0.00 41.12 39.87 2e9k n ASP 58 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2e9k h SER 59 N 0.00 0.73 -1.69 1.67 0.02 -0.97 -3.45 113.55 109.87 2e9k h SER 59 Ca 0.85 -0.82 -0.70 0.00 -0.84 0.00 0.00 61.79 60.28 2e9k h SER 59 Cb 2.45 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 64.77 2e9k h SER 59 CO -0.65 1.47 0.99 0.18 -1.14 0.00 0.00 176.83 177.68 2e9k n LEU 60 N -3.96 2.74 -4.35 5.07 4.77 0.32 -4.94 117.00 116.66 2e9k n LEU 60 Ca -0.13 1.02 -0.36 0.00 -0.03 0.00 0.00 56.01 56.52 2e9k n LEU 60 Cb 0.87 -1.22 -0.13 0.00 -2.33 0.00 0.00 43.42 40.61 2e9k n LEU 60 CO 0.54 -0.31 -0.34 0.21 -1.33 0.00 0.00 177.39 176.15 2e9k s ASN 61 N 3.87 4.63 0.19 -1.43 3.04 -1.26 -4.97 114.94 119.00 2e9k s ASN 61 Ca 0.97 -0.41 -0.10 0.00 0.04 0.00 0.00 52.86 53.36 2e9k s ASN 61 Cb -0.94 -1.80 0.25 0.00 -1.54 0.00 0.00 41.25 37.21 2e9k s ASN 61 CO 0.61 -0.05 1.17 -1.84 -3.04 0.00 0.00 177.10 173.94 2e9k n GLU 62 N 4.83 -0.13 -0.31 0.43 -0.00 -1.26 0.24 120.64 124.44 2e9k n GLU 62 Ca -0.17 1.16 0.04 0.00 -0.00 0.00 0.00 57.16 58.19 2e9k n GLU 62 Cb 0.50 -1.73 0.18 0.00 -0.00 0.00 0.00 31.44 30.40 2e9k n GLU 62 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 2e9k h ASP 63 N 0.00 0.73 0.00 -1.84 3.58 -1.99 -1.94 116.42 114.96 2e9k h ASP 63 Ca 0.30 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.73 2e9k h ASP 63 Cb 0.49 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 2e9k h ASP 63 CO -0.76 0.42 -0.14 0.47 -2.88 0.00 0.00 179.24 176.35 2e9k n ASP 64 N -4.71 5.24 -0.05 2.28 8.00 0.65 -4.60 116.55 123.37 2e9k n ASP 64 Ca 0.15 -2.42 -0.13 0.00 0.71 0.00 0.00 54.79 53.10 2e9k n ASP 64 Cb 0.28 -1.22 -0.08 0.00 -0.02 0.00 0.00 41.12 40.08 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 1.78 -0.79 -0.87 2.24 0.00 -1.34 -0.52 119.26 119.76 2e9k h ALA 65 Ca 0.07 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 2e9k h ALA 65 Cb 1.18 0.99 -0.12 0.00 0.00 0.00 0.00 17.79 19.84 2e9k h ALA 65 CO 0.09 -0.98 -0.45 0.28 0.00 0.00 0.00 179.25 178.19 2e9k n VAL 66 N -4.98 -0.54 -0.00 0.00 0.31 -1.26 0.04 118.33 111.89 2e9k n VAL 66 Ca -0.04 2.08 -0.10 0.00 -0.01 0.00 0.00 64.34 66.27 2e9k n VAL 66 Cb 0.31 -2.63 -0.04 0.00 -0.91 0.00 0.00 33.84 30.57 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 -0.05 0.22 5.55 5.08 -1.78 0.88 114.58 124.48 2e9k h GLU 67 Ca 0.20 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2e9k h GLU 67 Cb 0.42 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2e9k h GLU 67 CO -0.83 -0.03 -0.50 -0.91 -1.00 0.00 0.00 179.01 175.73 2e9k h ASN 68 N -0.05 -1.47 0.52 1.42 2.35 0.12 0.18 115.58 118.64 2e9k h ASN 68 Ca 0.06 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2e9k h ASN 68 Cb 0.15 0.53 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2e9k h ASN 68 CO -0.15 -0.58 -0.49 0.78 -1.65 0.00 0.00 177.43 175.35 2e9k h ASN 69 N -0.81 -1.33 -0.81 5.81 2.35 -0.41 -2.47 115.58 117.92 2e9k h ASN 69 Ca -0.02 0.10 0.20 0.00 -0.55 0.00 0.00 56.30 56.04 2e9k h ASN 69 Cb 0.78 0.43 -0.13 0.00 0.05 0.00 0.00 38.32 39.45 2e9k h ASN 69 CO -0.22 -0.66 0.13 1.56 -1.65 0.00 0.00 177.43 176.59 2e9k h GLN 70 N -1.00 0.17 0.10 0.81 1.08 -0.70 -1.49 115.11 114.07 2e9k h GLN 70 Ca -0.06 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2e9k h GLN 70 Cb 0.86 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.23 2e9k h GLN 70 CO -0.05 0.11 -0.32 1.25 -0.95 0.00 0.00 178.83 178.88 2e9k h LEU 71 N 0.17 -0.94 -0.59 1.46 5.85 -0.21 0.16 115.31 121.20 2e9k h LEU 71 Ca 0.47 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.41 2e9k h LEU 71 Cb 0.88 0.34 -0.11 0.00 0.37 0.00 0.00 40.66 42.14 2e9k h LEU 71 CO -0.64 -0.34 -0.17 0.00 -0.34 0.00 0.00 178.44 176.95 2e9k h ALA 72 N -0.98 0.35 -0.31 1.25 0.00 -0.94 0.25 119.26 118.87 2e9k h ALA 72 Ca -0.01 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2e9k h ALA 72 Cb 0.46 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2e9k h ALA 72 CO -0.16 -0.46 -0.02 0.74 0.00 0.00 0.00 179.25 179.36 2e9k h PHE 73 N -0.02 -0.05 -0.62 0.00 0.04 -0.89 0.28 116.94 115.68 2e9k h PHE 73 Ca 0.28 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.06 2e9k h PHE 73 Cb 0.46 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 2e9k h PHE 73 CO -0.51 -0.07 0.33 0.22 -0.60 0.00 0.00 178.31 177.68 2e9k h ASP 74 N 0.07 0.79 -0.39 2.17 1.82 0.82 -1.09 116.42 120.61 2e9k h ASP 74 Ca 0.15 -0.11 -0.07 0.00 -0.39 0.00 0.00 57.03 56.61 2e9k h ASP 74 Cb 0.21 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2e9k h ASP 74 CO -0.26 0.67 0.01 0.58 -1.61 0.00 0.00 179.24 178.63 2e9k h VAL 75 N 0.85 1.24 -0.02 2.25 2.07 0.09 0.09 116.25 122.82 2e9k h VAL 75 Ca 0.22 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 2e9k h VAL 75 Cb 0.07 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2e9k h VAL 75 CO -0.03 0.34 -0.53 0.00 0.02 0.00 0.00 177.57 177.37 2e9k h ALA 76 N 1.29 1.08 0.00 1.67 0.00 -0.07 0.45 119.26 123.68 2e9k h ALA 76 Ca 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2e9k h ALA 76 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2e9k h ALA 76 CO 0.02 0.67 -0.50 1.49 0.00 0.00 0.00 179.25 180.93 2e9k h GLU 77 N 0.05 0.00 0.00 0.00 4.22 -0.79 1.54 114.58 119.61 2e9k h GLU 77 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 59.36 59.07 2e9k h GLU 77 Cb 0.95 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 2e9k h GLU 77 CO 0.07 0.00 -2.36 0.54 -2.18 0.00 0.00 179.01 175.08 2e9k n ARG 78 N -2.30 0.68 -0.11 1.92 5.12 -0.02 -3.46 116.66 118.50 2e9k n ARG 78 Ca 0.03 0.06 -0.18 0.00 -1.93 0.00 0.00 57.85 55.84 2e9k n ARG 78 Cb 0.46 -1.54 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 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 -2.94 0.55 0.10 5.56 -0.58 0.16 -4.58 120.64 118.90 2e9k n GLU 79 Ca -0.36 0.31 0.06 0.00 -0.42 0.00 0.00 57.16 56.75 2e9k n GLU 79 Cb 1.10 -1.52 -0.00 0.00 -0.57 0.00 0.00 31.44 30.45 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 -1.00 0.00 -1.16 -0.32 0.04 -1.29 -3.48 116.94 109.72 2e9k h PHE 80 Ca -0.31 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.32 2e9k h PHE 80 Cb 1.20 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.35 2e9k h PHE 80 CO -0.21 0.31 -0.20 0.41 -0.60 0.00 0.00 178.31 178.02 2e9k n GLY 81 N 1.25 0.08 3.58 -1.45 0.00 0.51 -4.92 105.19 104.25 2e9k n GLY 81 Ca -0.02 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2e9k n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2e9k s ILE 82 N -2.42 5.20 0.00 -0.61 1.01 -0.17 -4.86 121.20 119.36 2e9k s ILE 82 Ca 0.01 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 2e9k s ILE 82 Cb -0.01 -3.46 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 2e9k s ILE 82 CO 0.01 0.27 1.45 -2.16 0.00 0.00 0.00 174.94 174.52 2e9k s PRO 83 N 1.64 4.26 0.38 2.79 0.04 -1.26 -3.59 135.00 139.26 2e9k s PRO 83 Ca 0.07 2.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2e9k s PRO 83 Cb -0.16 -3.60 -0.09 0.00 0.04 0.00 0.00 34.50 30.70 2e9k s PRO 83 CO 0.09 -0.61 1.20 -1.25 0.04 0.00 0.00 177.00 176.47 2e9k s PRO 84 N 2.53 4.16 0.11 0.56 0.04 -1.26 -4.96 135.00 136.19 2e9k s PRO 84 Ca 0.66 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.68 2e9k s PRO 84 Cb -0.32 -2.81 -0.21 0.00 0.04 0.00 0.00 34.50 31.19 2e9k s PRO 84 CO 0.27 -0.26 1.26 -0.39 0.04 0.00 0.00 177.00 177.92 2e9k h VAL 85 N 2.54 1.67 -4.04 -0.36 -1.51 -1.95 -3.46 116.25 109.14 2e9k h VAL 85 Ca -0.49 -3.33 -0.17 0.00 -1.23 0.00 0.00 66.70 61.48 2e9k h VAL 85 Cb 1.23 2.85 -0.16 0.00 -2.13 0.00 0.00 31.29 33.09 2e9k h VAL 85 CO 0.63 0.96 -0.69 0.28 -1.23 0.00 0.00 177.57 177.52 2e9k s THR 86 N -2.72 0.41 -0.06 7.19 -1.32 -1.26 -5.15 115.64 112.73 2e9k s THR 86 Ca -0.00 -1.72 -0.11 0.00 -1.21 0.00 0.00 61.69 58.65 2e9k s THR 86 Cb 0.09 -1.39 -0.05 0.00 -1.51 0.00 0.00 72.50 69.64 2e9k s THR 86 CO 0.83 -0.86 0.29 0.42 -2.21 0.00 0.00 174.62 173.09 2e9k s THR 87 N -3.39 5.25 0.24 5.08 -4.23 -1.26 -4.91 115.64 112.43 2e9k s THR 87 Ca 0.05 0.55 -0.03 0.00 -1.18 0.00 0.00 61.69 61.09 2e9k s THR 87 Cb 0.04 -3.57 0.37 0.00 1.34 0.00 0.00 72.50 70.67 2e9k s THR 87 CO -0.06 0.59 1.30 0.61 -0.54 0.00 0.00 174.62 176.51 2e9k n GLY 88 N 1.95 -1.27 0.29 3.99 0.00 -1.26 0.55 105.19 109.44 2e9k n GLY 88 Ca -0.17 0.85 -0.04 0.00 0.00 0.00 0.00 46.02 46.66 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 -0.12 -0.29 1.61 1.79 -1.94 -1.05 116.57 116.57 2e9k h LYS 89 Ca 0.45 0.01 -0.13 0.00 -2.18 0.00 0.00 60.65 58.80 2e9k h LYS 89 Cb 0.81 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2e9k h LYS 89 CO -0.82 -0.08 -0.31 1.49 -1.08 0.00 0.00 179.45 178.65 2e9k h GLU 90 N -0.13 0.72 -1.01 3.15 4.57 -0.29 -0.68 114.58 120.92 2e9k h GLU 90 Ca 0.23 -0.39 0.26 0.00 -1.18 0.00 0.00 59.36 58.28 2e9k h GLU 90 Cb 0.49 0.02 -0.13 0.00 -0.16 0.00 0.00 28.75 28.97 2e9k h GLU 90 CO -0.59 1.01 0.60 1.98 -1.18 0.00 0.00 179.01 180.83 2e9k h MET 91 N 0.47 0.51 0.15 1.92 4.05 0.18 0.55 114.93 122.77 2e9k h MET 91 Ca 0.04 -0.03 -0.35 0.00 -0.28 0.00 0.00 59.70 59.09 2e9k h MET 91 Cb 0.88 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 31.56 2e9k h MET 91 CO 0.08 0.34 -1.78 0.00 0.23 0.00 0.00 176.91 175.77 2e9k h ALA 92 N 1.75 0.28 0.72 0.39 0.00 -1.16 -3.39 119.26 117.84 2e9k h ALA 92 Ca 0.66 -1.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 2e9k h ALA 92 Cb 1.33 0.50 0.01 0.00 0.00 0.00 0.00 17.79 19.62 2e9k h ALA 92 CO -0.49 1.15 -0.34 1.03 0.00 0.00 0.00 179.25 180.60 2e9k h SER 93 N 0.09 -0.81 -1.16 0.00 0.87 0.34 -3.42 113.55 109.45 2e9k h SER 93 Ca -0.35 0.03 -0.68 0.00 -1.23 0.00 0.00 61.79 59.56 2e9k h SER 93 Cb 2.07 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 64.22 2e9k h SER 93 CO 0.15 -0.52 1.32 0.00 -0.53 0.00 0.00 176.83 177.24 2e9k n ALA 94 N -2.57 0.84 -0.27 6.23 0.00 0.18 -4.83 120.51 120.08 2e9k n ALA 94 Ca -0.12 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2e9k n ALA 94 Cb 0.38 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 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 11.23 -0.16 -3.57 0.00 5.75 -1.88 -3.38 115.11 123.10 2e9k h GLN 95 Ca -0.31 0.01 -0.47 0.00 -0.15 0.00 0.00 58.65 57.73 2e9k h GLN 95 Cb 1.32 0.04 -0.39 0.00 1.07 0.00 0.00 27.48 29.52 2e9k h GLN 95 CO 1.01 -0.10 -0.76 -2.00 -2.65 0.00 0.00 178.83 174.32 2e9k s GLU 96 N -5.76 0.58 1.10 1.69 2.12 -1.26 -5.06 118.70 112.10 2e9k s GLU 96 Ca -0.14 -0.14 -0.16 0.00 0.36 0.00 0.00 54.97 54.90 2e9k s GLU 96 Cb 0.13 -1.54 0.24 0.00 0.26 0.00 0.00 34.13 33.22 2e9k s GLU 96 CO 0.66 -0.48 1.10 -1.25 -0.54 0.00 0.00 175.26 174.74 2e9k s PRO 97 N 1.94 -0.43 -0.04 4.30 0.04 -1.26 -4.98 135.00 134.56 2e9k s PRO 97 Ca 0.02 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.98 2e9k s PRO 97 Cb -0.15 -1.66 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2e9k s PRO 97 CO -0.07 -3.25 1.04 -0.51 0.04 0.00 0.00 177.00 174.26 2e9k s ASP 98 N -3.67 7.25 0.15 6.66 1.11 -1.26 -4.95 116.67 121.96 2e9k s ASP 98 Ca 0.68 1.66 -0.17 0.00 0.18 0.00 0.00 52.55 54.91 2e9k s ASP 98 Cb -0.14 -2.56 -0.00 0.00 1.07 0.00 0.00 42.92 41.28 2e9k s ASP 98 CO 0.57 -0.40 1.79 0.50 1.18 0.00 0.00 175.17 178.81 2e9k h LYS 99 N 7.00 0.50 0.37 8.23 3.64 -1.94 -2.32 116.57 132.06 2e9k h LYS 99 Ca -0.36 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2e9k h LYS 99 Cb 1.18 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2e9k h LYS 99 CO 0.81 0.36 -0.19 -0.07 -2.27 0.00 0.00 179.45 178.09 2e9k h LEU 100 N 0.49 -0.46 -0.99 5.20 4.07 -1.96 0.11 115.31 121.77 2e9k h LEU 100 Ca 0.13 0.02 0.33 0.00 0.08 0.00 0.00 57.88 58.45 2e9k h LEU 100 Cb -0.02 0.12 -0.18 0.00 1.08 0.00 0.00 40.66 41.66 2e9k h LEU 100 CO -0.03 -0.31 0.28 -1.28 -1.08 0.00 0.00 178.44 176.01 2e9k h SER 101 N -0.51 -0.08 0.28 -0.43 0.87 -1.98 0.27 113.55 111.97 2e9k h SER 101 Ca -0.05 0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2e9k h SER 101 Cb 0.40 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2e9k h SER 101 CO 0.08 -0.37 -0.13 0.24 -0.53 0.00 0.00 176.83 176.11 2e9k h MET 102 N 0.03 -0.36 -0.52 2.24 2.86 -1.22 -1.83 114.93 116.13 2e9k h MET 102 Ca 0.71 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.47 2e9k h MET 102 Cb 1.67 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 33.33 2e9k h MET 102 CO -0.83 -0.03 0.06 0.28 1.06 0.00 0.00 176.91 177.44 2e9k h VAL 103 N -0.73 0.65 -0.91 -2.22 2.07 0.20 0.19 116.25 115.52 2e9k h VAL 103 Ca -0.04 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 2e9k h VAL 103 Cb 0.49 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2e9k h VAL 103 CO 0.06 0.03 0.56 0.00 0.02 0.00 0.00 177.57 178.25 2e9k h MET 104 N 0.18 1.22 0.54 1.57 -0.00 -0.68 -1.22 114.93 116.55 2e9k h MET 104 Ca 0.26 -0.10 -0.03 0.00 -0.00 0.00 0.00 59.70 59.83 2e9k h MET 104 Cb 0.38 -0.26 0.01 0.00 -0.00 0.00 0.00 31.60 31.73 2e9k h MET 104 CO -0.38 0.85 -0.26 -0.92 -0.00 0.00 0.00 176.91 176.19 2e9k h TYR 105 N 1.24 -0.67 -0.50 -0.10 3.20 -0.29 -3.23 116.97 116.63 2e9k h TYR 105 Ca 0.33 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.28 2e9k h TYR 105 Cb -0.07 0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.33 2e9k h TYR 105 CO 0.00 -0.35 -0.13 -0.07 -1.64 0.00 0.00 178.16 175.97 2e9k h LEU 106 N -1.05 -0.47 -1.32 2.82 3.38 -0.62 0.52 115.31 118.57 2e9k h LEU 106 Ca -0.07 0.15 0.42 0.00 0.09 0.00 0.00 57.88 58.46 2e9k h LEU 106 Cb 0.63 0.31 -0.13 0.00 0.09 0.00 0.00 40.66 41.55 2e9k h LEU 106 CO 0.12 -0.17 0.78 -1.28 0.09 0.00 0.00 178.44 177.99 2e9k h SER 107 N -0.00 0.29 -0.64 -0.43 0.87 -1.25 0.72 113.55 113.10 2e9k h SER 107 Ca 0.24 0.15 0.09 0.00 -1.23 0.00 0.00 61.79 61.04 2e9k h SER 107 Cb 0.37 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.39 2e9k h SER 107 CO -0.51 -0.19 0.28 0.11 -0.53 0.00 0.00 176.83 175.98 2e9k h LYS 108 N 0.11 0.47 0.05 2.24 1.57 -0.91 -2.09 116.57 118.01 2e9k h LYS 108 Ca 0.81 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 59.40 2e9k h LYS 108 Cb 2.41 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 34.63 2e9k h LYS 108 CO -0.47 0.31 -0.65 0.74 -0.57 0.00 0.00 179.45 178.82 2e9k h PHE 109 N 0.49 0.56 -0.63 -1.35 0.04 0.31 -2.45 116.94 113.90 2e9k h PHE 109 Ca 0.32 -0.34 0.07 0.00 2.80 0.00 0.00 57.97 60.82 2e9k h PHE 109 Cb 0.36 -0.05 -0.10 0.00 2.20 0.00 0.00 35.95 38.36 2e9k h PHE 109 CO -0.14 1.19 -0.54 -0.92 -0.60 0.00 0.00 178.31 177.31 2e9k h TYR 110 N -0.23 -1.65 -0.31 -0.55 3.20 -0.88 -0.39 116.97 116.15 2e9k h TYR 110 Ca -0.09 0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2e9k h TYR 110 Cb 1.41 0.80 -0.01 0.00 1.54 0.00 0.00 36.73 40.47 2e9k h TYR 110 CO 0.17 -0.44 -0.16 0.93 -1.64 0.00 0.00 178.16 177.01 2e9k h GLU 111 N -0.24 0.66 -0.88 1.82 5.08 -1.52 0.56 114.58 120.07 2e9k h GLU 111 Ca 0.13 -0.30 0.23 0.00 -1.00 0.00 0.00 59.36 58.42 2e9k h GLU 111 Cb 0.54 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.62 2e9k h GLU 111 CO -0.73 0.89 0.07 1.25 -1.00 0.00 0.00 179.01 179.49 2e9k h LEU 112 N 0.43 -0.31 0.00 1.33 5.85 -0.74 0.61 115.31 122.48 2e9k h LEU 112 Ca 0.07 0.23 -0.24 0.00 0.84 0.00 0.00 57.88 58.78 2e9k h LEU 112 Cb 0.69 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2e9k h LEU 112 CO 0.05 -0.24 -1.43 0.49 -0.34 0.00 0.00 178.44 176.96 2e9k n PHE 113 N -5.37 0.70 0.16 1.25 3.72 -0.27 -4.59 117.46 113.06 2e9k n PHE 113 Ca 0.19 0.30 -0.09 0.00 -0.05 0.00 0.00 57.45 57.81 2e9k n PHE 113 Cb 0.64 -0.99 -0.05 0.00 -0.94 0.00 0.00 39.48 38.15 2e9k n PHE 113 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2e9k h ARG 114 N -1.00 -0.49 -0.22 -1.08 1.12 0.34 -3.46 114.38 109.59 2e9k h ARG 114 Ca -0.36 0.03 0.26 0.00 -1.11 0.00 0.00 59.98 58.80 2e9k h ARG 114 Cb 1.23 0.11 -0.21 0.00 -0.01 0.00 0.00 29.97 31.10 2e9k h ARG 114 CO -0.22 -0.33 0.18 0.20 -3.11 0.00 0.00 179.97 176.70 2e9k s GLY 115 N -1.53 -0.29 0.51 2.80 0.00 0.20 -5.01 107.32 104.01 2e9k s GLY 115 Ca -0.09 2.87 -0.19 0.00 0.00 0.00 0.00 44.72 47.31 2e9k s GLY 115 CO 0.29 3.89 1.04 -0.51 0.00 0.00 0.00 173.10 177.82 2e9k s THR 116 N 2.97 3.80 0.12 0.90 -4.23 -0.63 -4.65 115.64 113.92 2e9k s THR 116 Ca -0.02 1.06 -0.31 0.00 -1.18 0.00 0.00 61.69 61.24 2e9k s THR 116 Cb -0.09 -3.44 -0.08 0.00 1.34 0.00 0.00 72.50 70.23 2e9k s THR 116 CO -0.10 -0.30 1.36 -2.16 -0.54 0.00 0.00 174.62 172.87 2e9k s PRO 117 N -3.41 4.34 -0.67 3.99 0.04 -1.26 -4.94 135.00 133.10 2e9k s PRO 117 Ca 0.66 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.73 2e9k s PRO 117 Cb -0.16 -3.25 0.43 0.00 0.04 0.00 0.00 34.50 31.56 2e9k s PRO 117 CO 0.23 -0.39 1.95 1.28 0.04 0.00 0.00 177.00 180.11 2e9k n LEU 118 N 3.74 7.39 -4.73 -3.56 4.77 -1.26 -4.96 117.00 118.39 2e9k n LEU 118 Ca 0.10 -4.45 -0.35 0.00 -0.03 0.00 0.00 56.01 51.28 2e9k n LEU 118 Cb 0.43 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2e9k n LEU 118 CO 0.58 1.59 -0.19 -0.60 -1.33 0.00 0.00 177.39 177.45 2e9k s ARG 119 N -3.85 4.13 0.51 3.23 6.06 -1.26 -5.08 118.95 122.68 2e9k s ARG 119 Ca 0.61 -0.23 -0.21 0.00 -2.50 0.00 0.00 55.73 53.40 2e9k s ARG 119 Cb 0.49 -3.39 -0.07 0.00 0.06 0.00 0.00 34.95 32.04 2e9k s ARG 119 CO -0.09 0.32 1.14 -1.25 -2.50 0.00 0.00 175.30 172.93 2e9k s PRO 120 N 0.29 3.54 0.00 5.12 0.04 -1.26 -5.30 135.00 137.43 2e9k s PRO 120 Ca 0.08 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2e9k s PRO 120 Cb -0.11 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2e9k s PRO 120 CO -0.02 -0.71 0.00 1.55 0.04 0.00 0.00 177.00 177.86