#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h5k s HIS 58 N 0.00 2.00 -1.03 0.54 3.76 -1.26 -5.01 115.29 114.29 2h5k s HIS 58 Ca 0.00 -1.38 0.17 0.00 -0.15 0.00 0.00 55.06 53.69 2h5k s HIS 58 Cb 0.00 -1.43 0.72 0.00 1.11 0.00 0.00 32.58 32.98 2h5k s HIS 58 CO 0.00 -0.69 1.53 -0.35 -0.85 0.00 0.00 174.74 174.38 2h5k n PRO 59 N 4.79 0.02 -0.00 8.40 -0.04 -1.26 -3.20 135.00 143.70 2h5k n PRO 59 Ca -0.12 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 2h5k n PRO 59 Cb 0.46 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.48 2h5k n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2h5k n TRP 60 N -1.48 0.01 -3.60 0.54 4.27 -1.26 -4.93 117.44 110.99 2h5k n TRP 60 Ca 0.04 -0.01 -0.36 0.00 -3.89 0.00 0.00 57.50 53.28 2h5k n TRP 60 Cb 0.19 -0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.06 2h5k n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2h5k s PHE 61 N -1.08 3.41 -0.16 -2.67 5.36 -1.19 -0.57 117.98 121.07 2h5k s PHE 61 Ca 0.15 0.45 0.16 0.00 -0.96 0.00 0.00 56.93 56.73 2h5k s PHE 61 Cb 0.11 -2.30 0.36 0.00 -0.34 0.00 0.00 43.02 40.85 2h5k s PHE 61 CO 0.16 0.19 1.21 1.19 -1.46 0.00 0.00 175.22 176.51 2h5k n PHE 62 N 3.80 0.13 0.00 10.12 3.01 0.14 -4.91 117.46 129.75 2h5k n PHE 62 Ca -0.13 -1.16 0.00 0.00 1.01 0.00 0.00 57.45 57.16 2h5k n PHE 62 Cb 0.52 -0.21 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 2h5k n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h5k n GLY 63 N -1.26 3.63 2.95 1.37 0.00 -1.25 -3.78 105.19 106.84 2h5k n GLY 63 Ca 0.18 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2h5k n GLY 63 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h5k n LYS 64 N 14.00 2.88 -4.54 1.61 4.81 -1.26 0.24 118.16 135.90 2h5k n LYS 64 Ca 0.00 -4.53 -0.34 0.00 -0.87 0.00 0.00 58.31 52.57 2h5k n LYS 64 Cb 0.00 -2.39 -0.11 0.00 0.02 0.00 0.00 35.03 32.55 2h5k n LYS 64 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 2h5k s ILE 65 N -1.84 3.84 0.43 3.15 -4.36 -1.25 -4.96 121.20 116.22 2h5k s ILE 65 Ca 0.31 -0.42 -0.22 0.00 -0.26 0.00 0.00 60.65 60.06 2h5k s ILE 65 Cb -0.01 -2.60 -0.12 0.00 1.25 0.00 0.00 42.46 40.99 2h5k s ILE 65 CO -0.07 0.58 0.59 -2.65 0.24 0.00 0.00 174.94 173.63 2h5k n PRO 66 N 2.45 0.64 -0.27 0.37 -0.02 -1.26 -4.72 135.00 132.19 2h5k n PRO 66 Ca -0.18 0.23 0.04 0.00 -2.02 0.00 0.00 63.50 61.57 2h5k n PRO 66 Cb 0.53 -1.57 0.26 0.00 -0.02 0.00 0.00 33.50 32.70 2h5k n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2h5k h ARG 67 N 0.81 0.94 -0.09 -0.52 2.43 -1.97 -0.39 114.38 115.60 2h5k h ARG 67 Ca -0.41 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2h5k h ARG 67 Cb 1.39 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2h5k h ARG 67 CO 0.52 0.62 0.02 0.00 -1.51 0.00 0.00 179.97 179.62 2h5k h ALA 68 N 1.53 0.11 -0.74 2.80 0.00 -2.00 -2.44 119.26 118.53 2h5k h ALA 68 Ca 0.36 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.21 2h5k h ALA 68 Cb 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 2h5k h ALA 68 CO -0.12 -0.26 0.41 -0.22 0.00 0.00 0.00 179.25 179.06 2h5k h LYS 69 N -0.07 0.71 0.13 0.00 1.63 -1.62 -1.29 116.57 116.07 2h5k h LYS 69 Ca 0.03 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 2h5k h LYS 69 Cb 0.25 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 2h5k h LYS 69 CO 0.00 0.47 -0.28 0.00 -3.45 0.00 0.00 179.45 176.19 2h5k h ALA 70 N 1.39 -0.48 -0.39 5.00 0.00 -0.98 -0.63 119.26 123.18 2h5k h ALA 70 Ca 0.34 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.28 2h5k h ALA 70 Cb 0.25 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 2h5k h ALA 70 CO -0.21 -0.82 -0.26 0.93 0.00 0.00 0.00 179.25 178.88 2h5k h GLU 71 N -0.50 -0.19 -0.21 0.00 5.08 -0.90 0.26 114.58 118.12 2h5k h GLU 71 Ca 0.03 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2h5k h GLU 71 Cb 0.52 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 2h5k h GLU 71 CO -0.16 -0.13 -0.54 1.49 -1.00 0.00 0.00 179.01 178.68 2h5k h GLU 72 N -0.20 -0.51 0.22 2.33 4.81 -0.70 0.59 114.58 121.12 2h5k h GLU 72 Ca 0.18 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2h5k h GLU 72 Cb 0.49 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2h5k h GLU 72 CO -0.50 -0.34 -0.20 1.98 -0.73 0.00 0.00 179.01 179.21 2h5k h MET 73 N -0.53 -0.40 -0.93 1.92 4.05 -0.40 -3.08 114.93 115.57 2h5k h MET 73 Ca 0.05 0.03 0.21 0.00 -0.28 0.00 0.00 59.70 59.71 2h5k h MET 73 Cb 0.66 0.09 -0.12 0.00 -0.80 0.00 0.00 31.60 31.43 2h5k h MET 73 CO -0.48 -0.27 0.47 -0.07 0.23 0.00 0.00 176.91 176.80 2h5k h LEU 74 N -0.42 0.49 -2.24 3.39 3.38 -0.23 0.35 115.31 120.03 2h5k h LEU 74 Ca -0.03 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2h5k h LEU 74 Cb 0.36 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2h5k h LEU 74 CO -0.02 0.08 0.12 0.77 0.09 0.00 0.00 178.44 179.49 2h5k h SER 75 N 0.51 0.00 -0.19 -0.43 4.64 0.26 -1.39 113.55 116.95 2h5k h SER 75 Ca 0.57 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.73 2h5k h SER 75 Cb 1.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2h5k h SER 75 CO -0.48 0.00 -0.44 0.11 -0.87 0.00 0.00 176.83 175.15 2h5k h LYS 76 N 0.00 0.75 -6.71 4.77 1.57 -0.88 -3.46 116.57 112.62 2h5k h LYS 76 Ca 0.06 -0.42 -0.55 0.00 -1.87 0.00 0.00 60.65 57.87 2h5k h LYS 76 Cb 0.31 0.02 0.19 0.00 0.08 0.00 0.00 32.23 32.84 2h5k h LYS 76 CO -0.00 1.04 -0.42 1.04 -0.57 0.00 0.00 179.45 180.54 2h5k n GLN 77 N -4.02 0.15 -0.02 3.15 1.13 -0.53 -4.96 117.38 112.29 2h5k n GLN 77 Ca -0.03 0.10 0.10 0.00 -1.94 0.00 0.00 57.00 55.23 2h5k n GLN 77 Cb 0.56 -1.86 0.09 0.00 0.11 0.00 0.00 30.24 29.14 2h5k n GLN 77 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2h5k n ARG 78 N -1.06 1.74 -4.58 -1.09 1.85 -1.26 -4.97 116.66 107.28 2h5k n ARG 78 Ca 0.09 -1.70 -0.29 0.00 -1.00 0.00 0.00 57.85 54.95 2h5k n ARG 78 Cb 0.51 -1.38 -0.17 0.00 -1.05 0.00 0.00 32.46 30.38 2h5k n ARG 78 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2h5k s HIS 79 N -1.57 2.13 -0.12 2.89 3.76 -1.26 -5.08 115.29 116.05 2h5k s HIS 79 Ca 0.24 -1.00 -0.33 0.00 -0.15 0.00 0.00 55.06 53.82 2h5k s HIS 79 Cb 0.16 -1.51 -0.10 0.00 1.11 0.00 0.00 32.58 32.25 2h5k s HIS 79 CO 0.24 -0.49 2.00 -0.25 -0.85 0.00 0.00 174.74 175.39 2h5k n ASP 80 N 4.08 3.39 0.00 1.40 8.00 -1.26 -1.65 116.55 130.51 2h5k n ASP 80 Ca -0.19 0.76 0.00 0.00 0.71 0.00 0.00 54.79 56.06 2h5k n ASP 80 Cb 0.51 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.20 2h5k n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h5k n GLY 81 N 4.93 1.63 3.64 0.44 0.00 -0.70 -5.02 105.19 110.11 2h5k n GLY 81 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2h5k n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h5k n ALA 82 N 0.00 0.53 -3.82 4.61 0.00 -0.66 -4.71 120.51 116.47 2h5k n ALA 82 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.70 2h5k n ALA 82 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 2h5k n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2h5k s PHE 83 N -1.15 -0.16 0.11 0.00 -0.71 -1.26 -0.35 117.98 114.46 2h5k s PHE 83 Ca 0.59 -0.25 -0.19 0.00 -1.04 0.00 0.00 56.93 56.05 2h5k s PHE 83 Cb -0.60 0.69 0.05 0.00 -1.21 0.00 0.00 43.02 41.95 2h5k s PHE 83 CO 0.60 -1.08 0.47 -0.48 -1.34 0.00 0.00 175.22 173.39 2h5k s LEU 84 N -2.94 0.07 -0.01 -1.99 0.05 -0.41 -4.92 118.68 108.53 2h5k s LEU 84 Ca 0.12 -0.13 0.04 0.00 0.05 0.00 0.00 54.13 54.21 2h5k s LEU 84 Cb -0.04 2.08 -0.03 0.00 -2.05 0.00 0.00 46.19 46.15 2h5k s LEU 84 CO 0.05 -0.85 -0.11 -0.63 -0.55 0.00 0.00 176.35 174.26 2h5k s ILE 85 N -3.46 3.30 0.20 1.48 -1.09 0.27 -1.45 121.20 120.45 2h5k s ILE 85 Ca 0.00 -0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 57.54 2h5k s ILE 85 Cb 0.01 -2.38 -0.02 0.00 -1.58 0.00 0.00 42.46 38.49 2h5k s ILE 85 CO -0.10 0.46 0.27 0.00 -1.23 0.00 0.00 174.94 174.33 2h5k s ARG 86 N -1.17 1.27 -0.35 2.79 1.70 -0.51 -0.68 118.95 122.00 2h5k s ARG 86 Ca 0.15 -1.39 -0.24 0.00 -0.47 0.00 0.00 55.73 53.77 2h5k s ARG 86 Cb -0.11 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.63 2h5k s ARG 86 CO 0.04 -0.46 0.83 -1.21 -1.08 0.00 0.00 175.30 173.42 2h5k s GLU 87 N -4.06 3.85 0.15 3.89 2.02 0.14 -0.75 118.70 123.93 2h5k s GLU 87 Ca 0.28 0.49 -0.34 0.00 0.02 0.00 0.00 54.97 55.42 2h5k s GLU 87 Cb 0.04 -3.78 -0.16 0.00 0.10 0.00 0.00 34.13 30.33 2h5k s GLU 87 CO 0.07 -0.83 1.18 0.45 0.02 0.00 0.00 175.26 176.15 2h5k n SER 88 N 6.47 1.27 -0.06 -0.19 2.88 0.11 -4.70 113.62 119.40 2h5k n SER 88 Ca 0.05 1.14 -0.10 0.00 -1.33 0.00 0.00 58.87 58.63 2h5k n SER 88 Cb 0.48 -1.19 -0.09 0.00 -0.75 0.00 0.00 64.21 62.66 2h5k n SER 88 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2h5k h GLU 89 N 3.51 -0.01 0.00 -1.46 4.39 -1.92 -3.26 114.58 115.83 2h5k h GLU 89 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2h5k h GLU 89 Cb 1.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2h5k h GLU 89 CO 0.71 0.68 0.00 -1.13 -1.16 0.00 0.00 179.01 178.10 2h5k n SER 90 N -4.67 0.00 -3.09 1.42 3.41 -1.26 -3.64 113.62 105.78 2h5k n SER 90 Ca -0.07 0.11 -0.20 0.00 -0.26 0.00 0.00 58.87 58.45 2h5k n SER 90 Cb 0.33 -0.24 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 2h5k n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h5k n ALA 91 N -1.24 1.53 -1.31 7.33 0.00 -1.23 -5.09 120.51 120.50 2h5k n ALA 91 Ca 0.04 -2.92 -0.44 0.00 0.00 0.00 0.00 53.44 50.12 2h5k n ALA 91 Cb 0.05 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 2h5k n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2h5k n PRO 92 N 1.51 0.00 0.00 0.00 -0.02 -1.24 -0.89 135.00 134.35 2h5k n PRO 92 Ca 0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2h5k n PRO 92 Cb 0.55 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 2h5k n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h5k n GLY 93 N 6.31 0.87 3.95 -1.23 0.00 -1.26 -5.08 105.19 108.75 2h5k n GLY 93 Ca 0.58 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 2h5k n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2h5k s ASP 94 N -0.89 6.00 0.08 1.61 1.01 -0.07 -4.95 116.67 119.46 2h5k s ASP 94 Ca 0.00 0.28 0.04 0.00 0.71 0.00 0.00 52.55 53.59 2h5k s ASP 94 Cb 0.00 -1.67 -0.04 0.00 1.01 0.00 0.00 42.92 42.23 2h5k s ASP 94 CO 0.00 -0.53 0.01 -0.36 0.21 0.00 0.00 175.17 174.49 2h5k s PHE 95 N -2.43 3.01 0.05 4.23 0.40 -1.26 0.08 117.98 122.06 2h5k s PHE 95 Ca 0.45 -0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.82 2h5k s PHE 95 Cb -0.10 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 2h5k s PHE 95 CO 0.36 0.48 -0.15 -1.12 0.70 0.00 0.00 175.22 175.49 2h5k s SER 96 N -2.25 1.78 -0.16 1.36 0.01 0.07 -1.44 113.70 113.06 2h5k s SER 96 Ca 0.25 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.95 2h5k s SER 96 Cb -0.12 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2h5k s SER 96 CO 0.18 0.01 -0.02 -0.22 0.41 0.00 0.00 173.24 173.60 2h5k s LEU 97 N -1.36 3.36 -0.15 2.44 2.96 0.10 -1.43 118.68 124.60 2h5k s LEU 97 Ca 0.01 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2h5k s LEU 97 Cb -0.09 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 2h5k s LEU 97 CO 0.02 0.17 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.62 2h5k s SER 98 N 0.36 3.59 -0.07 3.68 0.01 -0.53 0.38 113.70 121.13 2h5k s SER 98 Ca -0.03 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2h5k s SER 98 Cb -0.14 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.56 2h5k s SER 98 CO 0.02 0.09 -0.09 -0.69 0.41 0.00 0.00 173.24 172.98 2h5k s VAL 99 N 0.77 0.97 0.13 3.43 1.01 0.01 -1.29 120.40 125.43 2h5k s VAL 99 Ca -0.06 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2h5k s VAL 99 Cb -0.15 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 2h5k s VAL 99 CO 0.00 0.33 1.07 -0.75 0.00 0.00 0.00 175.10 175.76 2h5k s LYS 100 N 0.95 4.59 -0.30 2.72 2.36 0.52 0.07 119.74 130.65 2h5k s LYS 100 Ca -0.10 1.64 -0.11 0.00 -2.55 0.00 0.00 55.97 54.85 2h5k s LYS 100 Cb -0.15 -3.33 0.14 0.00 -1.05 0.00 0.00 37.83 33.45 2h5k s LYS 100 CO 0.00 0.04 0.74 0.12 1.55 0.00 0.00 175.35 177.81 2h5k s PHE 101 N 0.13 -1.17 0.00 4.03 5.36 -0.39 -1.72 117.98 124.21 2h5k s PHE 101 Ca 0.50 1.98 0.00 0.00 -0.96 0.00 0.00 56.93 58.46 2h5k s PHE 101 Cb -0.27 0.68 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 2h5k s PHE 101 CO 0.32 -0.59 0.00 0.41 -1.46 0.00 0.00 175.22 173.90 2h5k n GLY 102 N 5.32 -0.77 0.31 13.12 0.00 -1.26 -3.20 105.19 118.71 2h5k n GLY 102 Ca -0.11 -1.09 0.21 0.00 0.00 0.00 0.00 46.02 45.03 2h5k n GLY 102 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2h5k h ASN 103 N 0.00 0.00 -3.49 1.61 2.35 -2.01 -3.44 115.58 110.60 2h5k h ASN 103 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2h5k h ASN 103 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2h5k h ASN 103 CO 0.00 0.00 -0.01 -0.90 -1.65 0.00 0.00 177.43 174.87 2h5k n ASP 104 N -2.93 1.28 -4.13 5.81 5.68 -1.20 -5.06 116.55 115.99 2h5k n ASP 104 Ca -0.03 -1.08 -0.26 0.00 -0.50 0.00 0.00 54.79 52.92 2h5k n ASP 104 Cb 0.09 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.91 2h5k n ASP 104 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2h5k s VAL 105 N -0.31 1.44 0.18 2.12 1.01 -1.26 -1.26 120.40 122.32 2h5k s VAL 105 Ca 0.01 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2h5k s VAL 105 Cb -0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2h5k s VAL 105 CO 0.01 0.42 0.10 -1.10 0.00 0.00 0.00 175.10 174.53 2h5k s GLN 106 N 0.07 2.77 -0.02 2.72 -0.21 0.11 -4.92 119.66 120.17 2h5k s GLN 106 Ca -0.05 -0.96 0.07 0.00 0.02 0.00 0.00 55.36 54.44 2h5k s GLN 106 Cb -0.12 -2.56 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 2h5k s GLN 106 CO 0.02 0.47 -0.23 -1.01 -2.12 0.00 0.00 175.29 172.43 2h5k s HIS 107 N -1.79 2.06 0.08 0.91 3.76 -1.26 -0.81 115.29 118.25 2h5k s HIS 107 Ca 0.30 -0.44 0.07 0.00 -0.15 0.00 0.00 55.06 54.85 2h5k s HIS 107 Cb -0.10 -1.34 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 2h5k s HIS 107 CO 0.22 -0.07 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.79 2h5k s PHE 108 N -0.44 1.64 -0.23 1.40 0.40 0.16 -4.95 117.98 115.96 2h5k s PHE 108 Ca 0.06 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 2h5k s PHE 108 Cb -0.10 -0.92 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 2h5k s PHE 108 CO -0.00 0.15 0.29 0.15 0.70 0.00 0.00 175.22 176.50 2h5k s LYS 109 N -1.70 4.09 -0.68 0.44 1.02 -1.26 0.01 119.74 121.66 2h5k s LYS 109 Ca 0.05 -0.05 -0.25 0.00 0.02 0.00 0.00 55.97 55.74 2h5k s LYS 109 Cb -0.10 -3.57 0.05 0.00 -0.52 0.00 0.00 37.83 33.70 2h5k s LYS 109 CO 0.03 -0.05 1.10 0.08 -0.92 0.00 0.00 175.35 175.59 2h5k s VAL 110 N 1.39 4.06 0.65 3.17 1.01 -0.52 -4.76 120.40 125.39 2h5k s VAL 110 Ca 0.13 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 2h5k s VAL 110 Cb -0.15 -4.78 -0.02 0.00 0.00 0.00 0.00 36.38 31.44 2h5k s VAL 110 CO 0.07 -1.60 1.04 -0.76 0.00 0.00 0.00 175.10 173.85 2h5k s LEU 111 N 4.80 3.16 -0.01 3.92 1.43 -0.84 -4.47 118.68 126.67 2h5k s LEU 111 Ca 0.29 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.87 2h5k s LEU 111 Cb -0.13 -4.43 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 2h5k s LEU 111 CO 0.13 -1.10 -0.07 -0.13 0.23 0.00 0.00 176.35 175.42 2h5k s ARG 112 N -5.15 0.60 0.47 1.70 0.52 -1.26 -2.10 118.95 113.74 2h5k s ARG 112 Ca 0.56 -0.23 0.09 0.00 -0.52 0.00 0.00 55.73 55.63 2h5k s ARG 112 Cb -0.12 -0.59 0.03 0.00 0.52 0.00 0.00 34.95 34.79 2h5k s ARG 112 CO 0.54 0.12 0.64 0.16 0.02 0.00 0.00 175.30 176.77 2h5k s ASP 113 N -0.00 5.47 0.66 0.23 3.84 -1.04 -4.88 116.67 120.95 2h5k s ASP 113 Ca 0.00 -0.57 0.18 0.00 -0.00 0.00 0.00 52.55 52.17 2h5k s ASP 113 Cb -0.05 -0.35 0.93 0.00 -1.38 0.00 0.00 42.92 42.08 2h5k s ASP 113 CO -0.00 -0.95 1.52 1.23 -0.00 0.00 0.00 175.17 176.97 2h5k h GLY 114 N 0.50 0.00 -1.86 2.12 0.00 -2.02 2.57 103.07 104.38 2h5k h GLY 114 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2h5k h GLY 114 CO 0.44 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.98 2h5k n ALA 115 N -1.77 2.46 -2.34 3.60 0.00 -1.26 -4.96 120.51 116.24 2h5k n ALA 115 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.64 2h5k n ALA 115 Cb 0.69 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 19.29 2h5k n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h5k n GLY 116 N 1.36 0.16 3.95 0.00 0.00 0.86 -5.04 105.19 106.48 2h5k n GLY 116 Ca 0.16 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2h5k n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h5k s LYS 117 N -4.67 3.00 0.04 1.61 -0.14 -1.25 -4.81 119.74 113.52 2h5k s LYS 117 Ca 0.06 -0.43 0.02 0.00 -1.36 0.00 0.00 55.97 54.25 2h5k s LYS 117 Cb -0.02 -2.51 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 2h5k s LYS 117 CO 0.07 -0.38 0.06 0.71 -0.76 0.00 0.00 175.35 175.06 2h5k s TYR 118 N -2.64 3.20 -0.16 3.18 2.02 -1.26 -2.48 117.35 119.20 2h5k s TYR 118 Ca 0.50 0.12 -0.33 0.00 -0.37 0.00 0.00 57.07 56.99 2h5k s TYR 118 Cb -0.10 -1.66 0.14 0.00 -0.40 0.00 0.00 41.96 39.93 2h5k s TYR 118 CO 0.39 0.52 1.13 -0.59 -1.57 0.00 0.00 175.55 175.43 2h5k s PHE 119 N -1.27 -0.19 -0.20 2.71 -0.71 -0.89 -5.00 117.98 112.42 2h5k s PHE 119 Ca 0.25 0.17 -0.06 0.00 -1.04 0.00 0.00 56.93 56.25 2h5k s PHE 119 Cb -0.12 0.51 -0.10 0.00 -1.21 0.00 0.00 43.02 42.10 2h5k s PHE 119 CO 0.17 -0.27 -0.23 1.28 -1.34 0.00 0.00 175.22 174.83 2h5k n LEU 120 N 0.03 2.01 -3.55 -1.99 4.77 -1.26 -1.99 117.00 115.02 2h5k n LEU 120 Ca -0.03 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 2h5k n LEU 120 Cb 0.59 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 2h5k n LEU 120 CO 0.10 0.57 0.41 -1.66 -1.33 0.00 0.00 177.39 175.48 2h5k s TRP 121 N -2.38 -0.65 0.31 -1.77 1.48 -1.26 -4.84 118.94 109.83 2h5k s TRP 121 Ca -0.28 1.19 0.03 0.00 -1.06 0.00 0.00 56.10 55.98 2h5k s TRP 121 Cb 0.09 0.37 -0.06 0.00 -1.16 0.00 0.00 33.47 32.71 2h5k s TRP 121 CO 0.39 -0.56 0.06 0.14 -4.06 0.00 0.00 176.95 172.92 2h5k s VAL 122 N -0.96 1.10 -0.31 -0.66 -7.23 -1.26 -5.13 120.40 105.95 2h5k s VAL 122 Ca -0.09 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 2h5k s VAL 122 Cb -0.01 -2.75 0.04 0.00 0.56 0.00 0.00 36.38 34.22 2h5k s VAL 122 CO 0.08 -0.02 0.05 -0.69 -0.31 0.00 0.00 175.10 174.21 2h5k s VAL 123 N -3.37 3.41 0.16 1.32 1.01 -1.26 -5.07 120.40 116.60 2h5k s VAL 123 Ca 0.36 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2h5k s VAL 123 Cb 0.08 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2h5k s VAL 123 CO 0.15 -0.09 0.01 -0.54 0.00 0.00 0.00 175.10 174.63 2h5k s LYS 124 N 1.35 1.05 0.10 2.72 1.02 -1.26 -5.18 119.74 119.54 2h5k s LYS 124 Ca -0.03 -1.50 0.07 0.00 0.02 0.00 0.00 55.97 54.54 2h5k s LYS 124 Cb -0.19 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.94 2h5k s LYS 124 CO 0.01 -0.16 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.03 2h5k s PHE 125 N -3.75 1.65 -0.83 3.18 0.08 -1.26 -5.02 117.98 112.03 2h5k s PHE 125 Ca 0.23 -0.44 0.27 0.00 0.12 0.00 0.00 56.93 57.11 2h5k s PHE 125 Cb 0.06 -0.90 0.89 0.00 -0.57 0.00 0.00 43.02 42.51 2h5k s PHE 125 CO 0.03 0.19 1.76 0.09 -0.10 0.00 0.00 175.22 177.19 2h5k n ASN 126 N 0.99 0.50 -3.81 1.36 3.02 -1.26 -4.84 115.26 111.22 2h5k n ASN 126 Ca -0.19 0.45 -0.12 0.00 -0.03 0.00 0.00 54.58 54.69 2h5k n ASN 126 Cb 0.54 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2h5k n ASN 126 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2h5k s SER 127 N -3.86 -0.13 0.30 6.41 1.04 -1.26 -5.01 113.70 111.18 2h5k s SER 127 Ca 0.11 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.66 2h5k s SER 127 Cb 0.15 0.33 0.58 0.00 0.10 0.00 0.00 66.02 67.18 2h5k s SER 127 CO 0.59 -0.32 1.87 -0.07 0.98 0.00 0.00 173.24 176.30 2h5k h LEU 128 N 4.55 0.89 -0.10 2.42 3.38 -2.00 -1.53 115.31 122.93 2h5k h LEU 128 Ca -0.29 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2h5k h LEU 128 Cb 1.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2h5k h LEU 128 CO 0.39 0.51 -0.38 -1.13 0.09 0.00 0.00 178.44 177.92 2h5k h ASN 129 N 0.97 -1.19 -0.77 -0.43 -0.00 -1.99 0.43 115.58 112.59 2h5k h ASN 129 Ca 0.45 0.14 0.17 0.00 -0.00 0.00 0.00 56.30 57.05 2h5k h ASN 129 Cb 0.40 0.47 -0.14 0.00 -0.00 0.00 0.00 38.32 39.04 2h5k h ASN 129 CO -0.20 -0.33 -0.10 -0.33 -0.00 0.00 0.00 177.43 176.46 2h5k h GLU 130 N -0.40 0.04 -0.82 6.67 5.08 -1.71 0.73 114.58 124.17 2h5k h GLU 130 Ca 0.02 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 2h5k h GLU 130 Cb 0.47 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 2h5k h GLU 130 CO -0.30 0.03 0.48 1.25 -1.00 0.00 0.00 179.01 179.46 2h5k h LEU 131 N 0.04 0.71 0.49 1.33 6.46 -0.38 -1.65 115.31 122.31 2h5k h LEU 131 Ca 0.40 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 2h5k h LEU 131 Cb 0.66 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2h5k h LEU 131 CO -0.74 0.42 -0.24 0.58 -0.62 0.00 0.00 178.44 177.85 2h5k h VAL 132 N 0.83 0.00 -0.74 1.05 2.07 0.11 -2.29 116.25 117.28 2h5k h VAL 132 Ca 0.38 -0.31 0.17 0.00 0.82 0.00 0.00 66.70 67.76 2h5k h VAL 132 Cb 0.30 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.94 2h5k h VAL 132 CO -0.22 0.00 0.05 0.44 0.02 0.00 0.00 177.57 177.86 2h5k h ASP 133 N -0.97 -0.26 -0.99 0.57 3.32 -1.43 0.54 116.42 117.20 2h5k h ASP 133 Ca -0.07 0.18 0.16 0.00 0.02 0.00 0.00 57.03 57.33 2h5k h ASP 133 Cb 0.51 0.30 -0.10 0.00 0.22 0.00 0.00 39.33 40.26 2h5k h ASP 133 CO 0.11 -0.15 0.60 0.22 -1.72 0.00 0.00 179.24 178.31 2h5k h TYR 134 N 0.14 1.07 -0.09 4.55 3.20 -1.30 -0.18 116.97 124.35 2h5k h TYR 134 Ca 0.41 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.31 2h5k h TYR 134 Cb 0.72 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.66 2h5k h TYR 134 CO -0.38 0.31 0.00 0.72 -1.64 0.00 0.00 178.16 177.17 2h5k n HIS 135 N -4.72 0.27 0.05 -3.82 8.25 0.19 -2.08 115.22 113.35 2h5k n HIS 135 Ca 0.21 -0.10 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 2h5k n HIS 135 Cb 0.48 -0.12 -0.14 0.00 1.12 0.00 0.00 29.99 31.33 2h5k n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h5k h ARG 136 N 0.62 0.30 0.00 -0.41 3.08 -0.79 -0.53 114.38 116.64 2h5k h ARG 136 Ca 0.00 -0.51 -0.12 0.00 0.07 0.00 0.00 59.98 59.43 2h5k h ARG 136 Cb 0.56 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2h5k h ARG 136 CO 0.05 1.18 -1.86 -1.13 -1.07 0.00 0.00 179.97 177.14 2h5k n SER 137 N -3.49 0.26 -4.38 7.04 3.41 -1.11 -4.23 113.62 111.12 2h5k n SER 137 Ca -0.23 0.11 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 2h5k n SER 137 Cb 1.06 1.25 -0.14 0.00 -0.26 0.00 0.00 64.21 66.12 2h5k n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2h5k s THR 138 N -3.16 3.25 0.81 6.66 2.01 -0.88 -5.03 115.64 119.30 2h5k s THR 138 Ca -0.07 -0.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.20 2h5k s THR 138 Cb 0.11 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 70.15 2h5k s THR 138 CO 0.86 0.50 0.08 -0.24 -0.69 0.00 0.00 174.62 175.13 2h5k n SER 139 N 3.80 -2.93 -0.00 3.53 2.88 -1.25 -4.39 113.62 115.26 2h5k n SER 139 Ca -0.18 0.44 0.07 0.00 -1.33 0.00 0.00 58.87 57.87 2h5k n SER 139 Cb 0.52 -1.05 -0.09 0.00 -0.75 0.00 0.00 64.21 62.84 2h5k n SER 139 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2h5k n VAL 140 N -2.58 0.00 -3.81 2.46 0.24 -0.69 -4.87 118.33 109.07 2h5k n VAL 140 Ca 0.06 -0.14 -0.36 0.00 -2.04 0.00 0.00 64.34 61.86 2h5k n VAL 140 Cb 0.52 0.98 -0.13 0.00 -1.47 0.00 0.00 33.84 33.74 2h5k n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h5k s SER 141 N -2.49 4.94 0.00 -1.34 0.15 -1.25 -4.95 113.70 108.76 2h5k s SER 141 Ca 0.06 -0.24 0.15 0.00 0.70 0.00 0.00 55.95 56.61 2h5k s SER 141 Cb 0.12 -1.88 0.81 0.00 -1.71 0.00 0.00 66.02 63.36 2h5k s SER 141 CO 0.64 -0.02 1.34 -1.14 1.20 0.00 0.00 173.24 175.26 2h5k n ARG 142 N 4.83 0.34 0.00 5.44 0.63 -1.26 -2.48 116.66 124.16 2h5k n ARG 142 Ca -0.17 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2h5k n ARG 142 Cb 0.51 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.92 2h5k n ARG 142 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2h5k n ASN 143 N -1.13 0.24 -3.96 6.15 5.03 -1.26 -5.06 115.26 115.26 2h5k n ASN 143 Ca 0.09 -0.58 -0.09 0.00 0.87 0.00 0.00 54.58 54.87 2h5k n ASN 143 Cb 0.08 0.34 -0.11 0.00 -1.02 0.00 0.00 39.78 39.07 2h5k n ASN 143 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2h5k s GLN 144 N -0.34 0.34 -0.61 3.52 -0.21 -1.04 -5.10 119.66 116.23 2h5k s GLN 144 Ca 0.00 -0.59 -0.23 0.00 0.02 0.00 0.00 55.36 54.57 2h5k s GLN 144 Cb 0.00 0.13 0.06 0.00 1.00 0.00 0.00 33.01 34.20 2h5k s GLN 144 CO 0.00 -0.06 0.92 -0.65 -2.12 0.00 0.00 175.29 173.38 2h5k s GLN 145 N -1.49 3.17 -0.07 2.91 -1.52 -1.26 -3.75 119.66 117.65 2h5k s GLN 145 Ca -0.15 -0.69 -0.01 0.00 -1.95 0.00 0.00 55.36 52.56 2h5k s GLN 145 Cb -0.09 -4.17 0.03 0.00 -0.22 0.00 0.00 33.01 28.56 2h5k s GLN 145 CO -0.01 -1.66 -0.02 0.42 -0.25 0.00 0.00 175.29 173.77 2h5k s ILE 146 N 3.87 0.51 -0.07 1.08 1.01 -1.26 -5.02 121.20 121.32 2h5k s ILE 146 Ca 0.24 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2h5k s ILE 146 Cb -0.16 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 2h5k s ILE 146 CO 0.13 0.27 -0.18 -0.36 0.00 0.00 0.00 174.94 174.80 2h5k s PHE 147 N 1.72 2.63 0.24 3.97 0.08 -1.26 -1.71 117.98 123.65 2h5k s PHE 147 Ca 0.02 -0.44 -0.31 0.00 0.12 0.00 0.00 56.93 56.32 2h5k s PHE 147 Cb -0.13 -1.66 -0.11 0.00 -0.57 0.00 0.00 43.02 40.55 2h5k s PHE 147 CO -0.05 -0.03 1.58 -0.51 -0.10 0.00 0.00 175.22 176.11 2h5k s LEU 148 N -0.32 4.36 -0.03 -0.37 1.43 -0.21 -4.96 118.68 118.59 2h5k s LEU 148 Ca 0.02 2.79 0.03 0.00 -1.03 0.00 0.00 54.13 55.94 2h5k s LEU 148 Cb -0.13 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2h5k s LEU 148 CO 0.02 -0.86 -0.10 -0.13 0.23 0.00 0.00 176.35 175.52 2h5k s ARG 149 N 0.24 1.04 0.99 1.70 0.52 -1.26 -4.58 118.95 117.59 2h5k s ARG 149 Ca 0.66 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 55.43 2h5k s ARG 149 Cb -0.46 -0.96 0.19 0.00 0.52 0.00 0.00 34.95 34.24 2h5k s ARG 149 CO 0.40 0.12 1.10 -0.51 0.02 0.00 0.00 175.30 176.43 2h5k s ASP 150 N 0.19 2.38 0.61 0.23 1.11 -1.26 -5.02 116.67 114.91 2h5k s ASP 150 Ca -0.03 1.89 -0.05 0.00 0.18 0.00 0.00 52.55 54.53 2h5k s ASP 150 Cb -0.09 -2.45 0.02 0.00 1.07 0.00 0.00 42.92 41.48 2h5k s ASP 150 CO 0.01 -3.39 0.91 -0.63 1.18 0.00 0.00 175.17 173.25 2h5k s ILE 151 N -2.62 3.25 0.00 0.77 1.09 -1.26 -5.32 121.20 117.11 2h5k s ILE 151 Ca 0.67 -0.13 0.00 0.00 -1.10 0.00 0.00 60.65 60.09 2h5k s ILE 151 Cb -0.23 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.86 2h5k s ILE 151 CO 0.60 -0.31 0.45 -0.62 -0.10 0.00 0.00 174.94 174.96