#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1s n PHE 52 N 0.00 0.00 0.00 1.43 -0.00 -1.26 -4.74 117.46 112.89 1r1s n PHE 52 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1r1s n PHE 52 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1r1s n PHE 52 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.76 178.27 1r1s n ILE 53 N 0.00 0.00 0.00 -2.13 3.06 -1.26 -2.09 119.36 116.94 1r1s n ILE 53 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1r1s n ILE 53 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1r1s n ILE 53 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1r1s n ASP 54 N -0.02 0.00 -4.57 9.51 -0.08 -1.26 -2.31 116.55 117.81 1r1s n ASP 54 Ca 0.00 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.04 1r1s n ASP 54 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1r1s n ASP 54 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1r1s s ILE 55 N -0.08 3.38 -2.48 5.18 2.07 -1.26 -5.00 121.20 123.00 1r1s s ILE 55 Ca 0.00 -0.52 0.26 0.00 -1.41 0.00 0.00 60.65 58.98 1r1s s ILE 55 Cb 0.00 -4.14 0.33 0.00 0.13 0.00 0.00 42.46 38.78 1r1s s ILE 55 CO 0.00 -0.74 1.49 -0.62 -1.91 0.00 0.00 174.94 173.16 1r1s n GLU 56 N 8.51 1.69 -3.01 3.50 -0.58 -0.89 -4.99 120.64 124.87 1r1s n GLU 56 Ca 0.43 -1.20 -0.39 0.00 -0.42 0.00 0.00 57.16 55.58 1r1s n GLU 56 Cb 0.46 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.80 1r1s n GLU 56 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1r1s s PHE 57 N -2.14 3.89 -1.35 -0.32 5.36 -0.98 -0.07 117.98 122.37 1r1s s PHE 57 Ca 0.30 1.59 0.19 0.00 -0.96 0.00 0.00 56.93 58.06 1r1s s PHE 57 Cb 0.20 -2.74 0.72 0.00 -0.34 0.00 0.00 43.02 40.85 1r1s s PHE 57 CO 0.38 0.51 1.62 -0.35 -1.46 0.00 0.00 175.22 175.92 1r1s n PRO 58 N 1.66 3.52 0.09 10.12 -0.04 -1.26 -4.81 135.00 144.28 1r1s n PRO 58 Ca -0.06 -2.84 0.08 0.00 -0.04 0.00 0.00 63.50 60.64 1r1s n PRO 58 Cb 0.49 -1.83 0.54 0.00 -0.04 0.00 0.00 33.50 32.66 1r1s n PRO 58 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1r1s h GLU 59 N 4.20 0.27 0.00 0.54 3.07 -0.88 -2.91 114.58 118.87 1r1s h GLU 59 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1r1s h GLU 59 Cb 1.36 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1r1s h GLU 59 CO 0.18 0.18 0.00 0.11 -1.40 0.00 0.00 179.01 178.08 1r1s h TRP 60 N 0.28 0.00 -1.98 4.33 5.08 -1.61 -3.42 115.95 118.63 1r1s h TRP 60 Ca 0.11 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.50 1r1s h TRP 60 Cb 0.12 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.17 1r1s h TRP 60 CO -0.00 0.00 -0.63 -0.59 -1.28 0.00 0.00 178.44 175.94 1r1s s PHE 61 N -3.95 2.54 -0.88 0.12 -0.12 -1.10 -4.62 117.98 109.98 1r1s s PHE 61 Ca -0.03 -0.40 -0.12 0.00 -0.05 0.00 0.00 56.93 56.33 1r1s s PHE 61 Cb 0.11 -1.41 0.23 0.00 -0.63 0.00 0.00 43.02 41.32 1r1s s PHE 61 CO 0.45 0.51 0.82 -1.58 -0.05 0.00 0.00 175.22 175.37 1r1s s HIS 62 N -2.50 3.85 -0.42 3.49 5.65 -0.91 -4.97 115.29 119.49 1r1s s HIS 62 Ca 0.34 -2.21 -0.42 0.00 0.25 0.00 0.00 55.06 53.02 1r1s s HIS 62 Cb -0.01 -3.77 -0.18 0.00 -1.18 0.00 0.00 32.58 27.44 1r1s s HIS 62 CO 0.19 -0.97 1.40 0.39 -0.65 0.00 0.00 174.74 175.11 1r1s n GLU 63 N 3.63 0.00 -0.71 2.88 1.02 -1.26 -2.62 120.64 123.58 1r1s n GLU 63 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1r1s n GLU 63 Cb 0.45 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1r1s n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1r1s n GLY 64 N 3.45 0.63 3.78 0.62 0.00 -1.26 -5.01 105.19 107.40 1r1s n GLY 64 Ca 0.27 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1r1s n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r1s s LEU 65 N 0.00 4.34 0.52 0.99 2.96 -1.08 -5.04 118.68 121.37 1r1s s LEU 65 Ca 0.00 0.68 0.01 0.00 -0.22 0.00 0.00 54.13 54.60 1r1s s LEU 65 Cb 0.00 -2.43 0.02 0.00 0.50 0.00 0.00 46.19 44.28 1r1s s LEU 65 CO 0.00 0.20 0.74 -0.94 -1.32 0.00 0.00 176.35 175.03 1r1s s SER 66 N -0.20 5.43 0.16 3.68 1.04 -1.26 -4.79 113.70 117.76 1r1s s SER 66 Ca 0.20 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.50 1r1s s SER 66 Cb -0.14 -1.02 0.06 0.00 0.10 0.00 0.00 66.02 65.02 1r1s s SER 66 CO 0.08 -1.01 1.76 -0.09 0.98 0.00 0.00 173.24 174.96 1r1s h ARG 67 N 0.19 0.33 -0.06 4.02 2.43 -1.96 -0.91 114.38 118.41 1r1s h ARG 67 Ca -0.43 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.52 1r1s h ARG 67 Cb 1.28 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1r1s h ARG 67 CO 0.53 0.22 -0.79 0.45 -1.51 0.00 0.00 179.97 178.87 1r1s h HIS 68 N 0.34 0.61 -0.74 2.20 3.86 -1.99 -1.06 115.15 118.36 1r1s h HIS 68 Ca 0.17 -0.28 0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1r1s h HIS 68 Cb 0.11 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1r1s h HIS 68 CO -0.12 1.06 0.47 1.96 0.86 0.00 0.00 177.93 182.16 1r1s h GLN 69 N 0.29 0.90 -0.90 2.45 4.20 -1.88 -1.66 115.11 118.50 1r1s h GLN 69 Ca -0.04 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.76 1r1s h GLN 69 Cb 1.38 -0.20 -0.09 0.00 0.30 0.00 0.00 27.48 28.87 1r1s h GLN 69 CO 0.14 0.59 0.51 0.00 -0.67 0.00 0.00 178.83 179.40 1r1s h ALA 70 N 1.31 1.38 -0.51 3.87 0.00 -0.93 -0.42 119.26 123.97 1r1s h ALA 70 Ca 0.29 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1r1s h ALA 70 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1r1s h ALA 70 CO -0.10 -0.00 0.16 0.93 0.00 0.00 0.00 179.25 180.24 1r1s h GLU 71 N 0.74 0.79 -0.59 0.00 5.08 -1.03 -1.66 114.58 117.91 1r1s h GLU 71 Ca 0.48 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1r1s h GLU 71 Cb 0.63 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1r1s h GLU 71 CO -0.33 0.73 0.29 -0.97 -1.00 0.00 0.00 179.01 177.72 1r1s h ASN 72 N 0.69 0.74 -0.02 1.42 -0.73 -0.69 -0.40 115.58 116.58 1r1s h ASN 72 Ca 0.16 -0.07 -0.19 0.00 1.87 0.00 0.00 56.30 58.07 1r1s h ASN 72 Cb 0.27 -0.19 0.01 0.00 0.27 0.00 0.00 38.32 38.68 1r1s h ASN 72 CO -0.01 0.63 -0.74 -0.07 -0.37 0.00 0.00 177.43 176.87 1r1s h LEU 73 N 0.83 0.68 0.00 0.34 4.07 -0.86 -3.16 115.31 117.20 1r1s h LEU 73 Ca 0.21 -0.73 0.00 0.00 0.08 0.00 0.00 57.88 57.43 1r1s h LEU 73 Cb 0.08 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.61 1r1s h LEU 73 CO -0.03 1.32 -0.14 0.18 -1.08 0.00 0.00 178.44 178.70 1r1s n LEU 74 N -4.09 0.63 0.07 1.67 4.77 -0.64 -2.23 117.00 117.18 1r1s n LEU 74 Ca -0.10 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.44 1r1s n LEU 74 Cb 0.73 -0.32 0.39 0.00 -2.33 0.00 0.00 43.42 41.89 1r1s n LEU 74 CO 0.50 -0.11 0.77 0.23 -1.33 0.00 0.00 177.39 177.45 1r1s n MET 75 N -2.06 0.10 -0.16 3.23 2.81 -0.19 -1.14 117.12 119.70 1r1s n MET 75 Ca 0.05 0.39 0.09 0.00 -1.81 0.00 0.00 57.70 56.43 1r1s n MET 75 Cb 0.41 -1.71 0.27 0.00 -0.71 0.00 0.00 33.22 31.48 1r1s n MET 75 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r1s n GLY 76 N -0.30 0.87 3.47 3.03 0.00 -0.95 -4.91 105.19 106.40 1r1s n GLY 76 Ca 0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 1r1s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r1s s LYS 77 N -1.57 1.68 0.66 1.61 -0.14 -0.29 -5.15 119.74 116.53 1r1s s LYS 77 Ca 0.32 -1.77 -0.14 0.00 -1.36 0.00 0.00 55.97 53.02 1r1s s LYS 77 Cb 0.17 -1.75 -0.00 0.00 -1.68 0.00 0.00 37.83 34.57 1r1s s LYS 77 CO 0.24 0.32 1.08 -0.51 -0.76 0.00 0.00 175.35 175.72 1r1s s ASP 78 N -3.51 5.29 0.22 2.83 1.01 -1.26 -4.97 116.67 116.28 1r1s s ASP 78 Ca 0.30 1.84 -0.28 0.00 0.71 0.00 0.00 52.55 55.12 1r1s s ASP 78 Cb -0.05 -2.53 -0.16 0.00 1.01 0.00 0.00 42.92 41.19 1r1s s ASP 78 CO 0.15 -1.50 0.71 -0.38 0.21 0.00 0.00 175.17 174.35 1r1s n ILE 79 N -2.58 1.93 0.00 0.77 5.41 -1.26 -2.27 119.36 121.36 1r1s n ILE 79 Ca 0.09 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1r1s n ILE 79 Cb 0.53 -0.34 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 1r1s n ILE 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r1s n GLY 80 N 1.74 2.50 3.68 7.39 0.00 0.45 -4.82 105.19 116.12 1r1s n GLY 80 Ca 0.15 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1r1s n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1r1s n PHE 81 N 0.00 1.93 -3.92 1.61 3.01 -0.96 -1.28 117.46 117.86 1r1s n PHE 81 Ca 0.00 0.53 -0.09 0.00 1.01 0.00 0.00 57.45 58.90 1r1s n PHE 81 Cb 0.00 -2.35 -0.08 0.00 -0.01 0.00 0.00 39.48 37.04 1r1s n PHE 81 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1r1s s PHE 82 N -1.20 0.24 -0.03 1.38 -0.71 -1.16 -1.24 117.98 115.26 1r1s s PHE 82 Ca 0.61 -0.67 0.01 0.00 -1.04 0.00 0.00 56.93 55.84 1r1s s PHE 82 Cb -0.53 -0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.15 1r1s s PHE 82 CO 0.58 -0.48 -0.03 0.42 -1.34 0.00 0.00 175.22 174.38 1r1s s ILE 83 N -3.66 0.36 -0.02 -4.49 1.01 -0.70 -4.93 121.20 108.76 1r1s s ILE 83 Ca 0.04 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 1r1s s ILE 83 Cb 0.05 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1r1s s ILE 83 CO -0.10 0.17 0.71 -0.63 0.00 0.00 0.00 174.94 175.09 1r1s s ILE 84 N 0.79 4.93 0.01 2.92 1.01 -1.26 -0.55 121.20 129.05 1r1s s ILE 84 Ca -0.09 1.48 -0.11 0.00 0.00 0.00 0.00 60.65 61.92 1r1s s ILE 84 Cb -0.12 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1r1s s ILE 84 CO -0.01 0.31 0.24 0.00 0.00 0.00 0.00 174.94 175.48 1r1s s ARG 85 N 0.40 0.64 -0.27 2.79 1.70 -0.34 -2.14 118.95 121.73 1r1s s ARG 85 Ca 0.37 -0.39 -0.29 0.00 -0.47 0.00 0.00 55.73 54.95 1r1s s ARG 85 Cb -0.19 0.28 -0.00 0.00 -0.57 0.00 0.00 34.95 34.47 1r1s s ARG 85 CO 0.20 -0.18 1.31 0.00 -1.08 0.00 0.00 175.30 175.55 1r1s s ALA 86 N -1.77 3.41 0.17 7.88 0.00 -1.26 -0.37 121.76 129.82 1r1s s ALA 86 Ca -0.11 0.19 -0.33 0.00 0.00 0.00 0.00 51.96 51.71 1r1s s ALA 86 Cb -0.04 -3.75 -0.15 0.00 0.00 0.00 0.00 23.12 19.18 1r1s s ALA 86 CO 0.01 -1.67 1.39 0.45 0.00 0.00 0.00 175.76 175.93 1r1s n SER 87 N 7.49 2.32 0.04 0.00 2.88 0.63 -4.89 113.62 122.09 1r1s n SER 87 Ca 0.15 1.12 -0.06 0.00 -1.33 0.00 0.00 58.87 58.75 1r1s n SER 87 Cb 0.46 -1.33 -0.11 0.00 -0.75 0.00 0.00 64.21 62.48 1r1s n SER 87 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1r1s h GLN 88 N 4.56 0.00 -0.25 -1.46 4.20 -1.89 -3.34 115.11 116.93 1r1s h GLN 88 Ca -0.45 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.08 1r1s h GLN 88 Cb 1.30 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 1r1s h GLN 88 CO 0.78 0.72 -0.54 0.66 -0.67 0.00 0.00 178.83 179.78 1r1s h SER 89 N 0.00 0.82 -3.72 1.46 4.64 -1.98 -3.36 113.55 111.40 1r1s h SER 89 Ca -0.11 -0.44 -0.63 0.00 -0.47 0.00 0.00 61.79 60.14 1r1s h SER 89 Cb 1.78 -0.24 -0.41 0.00 -0.31 0.00 0.00 62.40 63.22 1r1s h SER 89 CO 0.10 1.20 -0.59 -0.44 -0.87 0.00 0.00 176.83 176.23 1r1s s SER 90 N -6.93 4.61 -0.01 4.97 0.01 -1.26 -5.10 113.70 109.99 1r1s s SER 90 Ca -0.09 -3.45 -0.34 0.00 1.31 0.00 0.00 55.95 53.37 1r1s s SER 90 Cb 0.11 -1.65 -0.13 0.00 0.21 0.00 0.00 66.02 64.56 1r1s s SER 90 CO 0.87 -0.16 1.76 -2.65 0.41 0.00 0.00 173.24 173.47 1r1s n PRO 91 N 2.52 2.10 0.00 12.44 -0.02 -1.25 -1.71 135.00 149.08 1r1s n PRO 91 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1r1s n PRO 91 Cb 0.34 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1r1s n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r1s n GLY 92 N 4.00 0.73 3.52 -1.23 0.00 -1.26 -5.09 105.19 105.87 1r1s n GLY 92 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1r1s n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r1s s ASP 93 N -2.05 4.03 -0.14 1.61 -0.00 -0.69 -5.06 116.67 114.36 1r1s s ASP 93 Ca 0.00 -0.55 -0.06 0.00 -0.00 0.00 0.00 52.55 51.94 1r1s s ASP 93 Cb 0.00 -0.62 -0.04 0.00 -0.00 0.00 0.00 42.92 42.26 1r1s s ASP 93 CO 0.00 0.16 0.05 -0.36 -0.00 0.00 0.00 175.17 175.02 1r1s s PHE 94 N -1.32 3.28 -0.03 4.23 0.08 -1.26 -0.27 117.98 122.69 1r1s s PHE 94 Ca 0.20 0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.45 1r1s s PHE 94 Cb -0.10 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1r1s s PHE 94 CO 0.12 0.35 -0.04 -1.12 -0.10 0.00 0.00 175.22 174.43 1r1s s SER 95 N -0.27 4.82 -0.29 1.36 0.01 0.50 -1.71 113.70 118.13 1r1s s SER 95 Ca 0.08 -0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.22 1r1s s SER 95 Cb -0.12 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 64.89 1r1s s SER 95 CO 0.02 0.32 0.09 -0.63 0.41 0.00 0.00 173.24 173.45 1r1s s ILE 96 N -0.95 4.19 -0.13 1.44 1.01 -0.60 -1.20 121.20 124.96 1r1s s ILE 96 Ca 0.16 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 1r1s s ILE 96 Cb -0.11 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1r1s s ILE 96 CO 0.06 0.14 0.23 -0.44 0.00 0.00 0.00 174.94 174.93 1r1s s SER 97 N 1.55 6.43 -0.06 3.58 0.01 0.29 -0.92 113.70 124.59 1r1s s SER 97 Ca 0.04 0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.82 1r1s s SER 97 Cb -0.17 -2.14 0.02 0.00 0.21 0.00 0.00 66.02 63.94 1r1s s SER 97 CO 0.04 0.24 -0.09 -0.69 0.41 0.00 0.00 173.24 173.14 1r1s s VAL 98 N -0.19 0.87 0.07 3.43 1.01 -0.03 -1.72 120.40 123.83 1r1s s VAL 98 Ca 0.15 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 1r1s s VAL 98 Cb -0.13 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1r1s s VAL 98 CO 0.04 0.30 1.49 -0.60 0.00 0.00 0.00 175.10 176.32 1r1s s ARG 99 N 0.79 4.26 0.00 2.72 6.06 -0.37 -1.52 118.95 130.89 1r1s s ARG 99 Ca -0.13 2.14 0.00 0.00 -2.50 0.00 0.00 55.73 55.25 1r1s s ARG 99 Cb -0.15 -3.44 0.00 0.00 0.06 0.00 0.00 34.95 31.42 1r1s s ARG 99 CO 0.02 -0.58 0.00 0.72 -2.50 0.00 0.00 175.30 172.96 1r1s n HIS 100 N 4.86 -0.44 0.06 5.12 8.25 -0.49 -0.41 115.22 132.16 1r1s n HIS 100 Ca 0.13 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.39 1r1s n HIS 100 Cb 0.42 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.38 1r1s n HIS 100 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1r1s h GLU 101 N 0.00 0.32 -0.01 -0.41 4.81 -1.98 -3.34 114.58 113.96 1r1s h GLU 101 Ca 0.00 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1r1s h GLU 101 Cb 0.00 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1r1s h GLU 101 CO 0.00 1.26 -0.45 -0.25 -0.73 0.00 0.00 179.01 178.84 1r1s n ASP 102 N -4.09 1.36 -3.59 1.04 10.43 -1.26 -4.99 116.55 115.45 1r1s n ASP 102 Ca -0.14 -1.18 -0.04 0.00 2.57 0.00 0.00 54.79 56.00 1r1s n ASP 102 Cb 0.85 0.62 -0.00 0.00 1.84 0.00 0.00 41.12 44.43 1r1s n ASP 102 CO 0.00 0.00 0.00 1.51 -1.07 0.00 0.00 177.20 177.64 1r1s s ASP 103 N -2.05 -0.12 -0.12 -2.24 3.84 -1.25 -5.16 116.67 109.56 1r1s s ASP 103 Ca 0.11 -0.54 -0.02 0.00 -0.00 0.00 0.00 52.55 52.10 1r1s s ASP 103 Cb 0.13 0.53 -0.03 0.00 -1.38 0.00 0.00 42.92 42.17 1r1s s ASP 103 CO 0.47 -1.01 -0.04 -0.69 -0.00 0.00 0.00 175.17 173.90 1r1s s VAL 104 N -2.94 3.94 0.25 2.11 1.01 -1.26 -1.40 120.40 122.10 1r1s s VAL 104 Ca 0.15 -0.36 0.09 0.00 0.00 0.00 0.00 61.98 61.86 1r1s s VAL 104 Cb -0.02 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1r1s s VAL 104 CO 0.04 0.55 -0.15 -1.10 0.00 0.00 0.00 175.10 174.44 1r1s s GLN 105 N -0.22 1.50 0.11 2.72 -0.21 -0.58 -4.93 119.66 118.06 1r1s s GLN 105 Ca 0.04 -1.70 0.07 0.00 0.02 0.00 0.00 55.36 53.79 1r1s s GLN 105 Cb -0.13 -1.38 -0.04 0.00 1.00 0.00 0.00 33.01 32.47 1r1s s GLN 105 CO 0.02 0.21 -0.17 -1.01 -2.12 0.00 0.00 175.29 172.23 1r1s s HIS 106 N -2.80 1.56 -0.05 0.91 3.76 -1.26 -0.85 115.29 116.56 1r1s s HIS 106 Ca 0.26 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1r1s s HIS 106 Cb -0.01 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 32.85 1r1s s HIS 106 CO 0.11 0.18 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.02 1r1s s PHE 107 N -1.58 1.14 -0.17 1.40 0.40 -0.09 -4.99 117.98 114.08 1r1s s PHE 107 Ca 0.07 -0.37 -0.19 0.00 -0.60 0.00 0.00 56.93 55.84 1r1s s PHE 107 Cb -0.08 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 1r1s s PHE 107 CO 0.04 -0.21 0.52 0.21 0.70 0.00 0.00 175.22 176.48 1r1s s LYS 108 N 0.61 4.25 -0.21 0.44 2.20 -1.26 -1.56 119.74 124.21 1r1s s LYS 108 Ca -0.11 0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 55.67 1r1s s LYS 108 Cb -0.14 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1r1s s LYS 108 CO 0.02 -0.05 1.32 0.08 -0.36 0.00 0.00 175.35 176.36 1r1s s VAL 109 N 1.30 4.16 0.24 4.02 1.01 -0.69 -4.68 120.40 125.76 1r1s s VAL 109 Ca 0.26 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.66 1r1s s VAL 109 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1r1s s VAL 109 CO 0.10 -0.26 0.35 -0.04 0.00 0.00 0.00 175.10 175.25 1r1s s MET 110 N 3.84 3.43 0.19 2.72 1.00 -0.15 -4.64 119.30 125.68 1r1s s MET 110 Ca 0.57 -0.76 0.01 0.00 0.00 0.00 0.00 55.69 55.51 1r1s s MET 110 Cb -0.21 -2.88 -0.05 0.00 0.00 0.00 0.00 34.83 31.69 1r1s s MET 110 CO 0.19 0.43 0.04 1.03 0.00 0.00 0.00 175.02 176.71 1r1s s ARG 111 N -3.95 1.15 0.23 2.03 1.81 -1.26 -1.80 118.95 117.16 1r1s s ARG 111 Ca 0.34 -1.57 -0.03 0.00 -1.72 0.00 0.00 55.73 52.74 1r1s s ARG 111 Cb -0.09 -0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 1r1s s ARG 111 CO 0.29 -0.20 0.23 0.16 -0.68 0.00 0.00 175.30 175.10 1r1s s ASP 112 N -3.18 0.23 0.57 0.23 3.84 -1.23 -4.98 116.67 112.16 1r1s s ASP 112 Ca 0.28 -1.32 0.35 0.00 -0.00 0.00 0.00 52.55 51.86 1r1s s ASP 112 Cb 0.07 0.45 1.69 0.00 -1.38 0.00 0.00 42.92 43.75 1r1s s ASP 112 CO 0.06 -0.94 2.12 0.71 -0.00 0.00 0.00 175.17 177.12 1r1s h THR 113 N 2.49 0.17 0.00 2.11 1.35 -2.02 0.69 112.91 117.69 1r1s h THR 113 Ca -0.33 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1r1s h THR 113 Cb 1.25 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1r1s h THR 113 CO 0.47 0.04 0.00 0.29 -0.25 0.00 0.00 175.52 176.07 1r1s n LYS 114 N -3.24 0.88 -1.04 4.72 5.02 -1.26 -4.89 118.16 118.34 1r1s n LYS 114 Ca -0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.26 1r1s n LYS 114 Cb 0.22 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 1r1s n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r1s n GLY 115 N 0.67 0.52 3.63 0.72 0.00 0.24 -5.07 105.19 105.88 1r1s n GLY 115 Ca 0.16 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1r1s n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r1s s ASN 116 N -2.66 1.36 -0.02 1.61 0.01 -1.25 -4.84 114.94 109.15 1r1s s ASN 116 Ca 0.00 0.72 0.03 0.00 -0.71 0.00 0.00 52.86 52.90 1r1s s ASN 116 Cb 0.00 -1.04 0.00 0.00 0.41 0.00 0.00 41.25 40.62 1r1s s ASN 116 CO 0.00 -3.86 -0.09 -0.31 -1.51 0.00 0.00 177.10 171.33 1r1s s TYR 117 N -3.04 0.91 0.05 2.20 2.02 0.36 -3.52 117.35 116.33 1r1s s TYR 117 Ca 0.70 -0.21 -0.27 0.00 -0.37 0.00 0.00 57.07 56.92 1r1s s TYR 117 Cb -0.11 -0.63 0.07 0.00 -0.40 0.00 0.00 41.96 40.88 1r1s s TYR 117 CO 0.56 -0.08 0.64 -0.59 -1.57 0.00 0.00 175.55 174.51 1r1s s PHE 118 N 0.08 -0.59 -0.20 2.71 -0.71 -0.74 -1.57 117.98 116.95 1r1s s PHE 118 Ca -0.01 0.74 0.05 0.00 -1.04 0.00 0.00 56.93 56.67 1r1s s PHE 118 Cb -0.07 0.47 -0.16 0.00 -1.21 0.00 0.00 43.02 42.05 1r1s s PHE 118 CO 0.00 -0.72 -0.12 1.28 -1.34 0.00 0.00 175.22 174.32 1r1s n LEU 119 N 0.31 2.15 0.00 -1.99 4.77 -1.26 -0.98 117.00 120.00 1r1s n LEU 119 Ca -0.18 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1r1s n LEU 119 Cb 0.61 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1r1s n LEU 119 CO 0.18 0.73 0.00 0.79 -1.33 0.00 0.00 177.39 177.77 1r1s n TRP 120 N -2.98 0.00 -0.13 -1.77 7.02 -1.26 -4.91 117.44 113.41 1r1s n TRP 120 Ca -0.35 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 55.88 1r1s n TRP 120 Cb 0.94 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.72 1r1s n TRP 120 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1r1s n THR 121 N 0.00 1.52 -2.24 -0.99 -1.04 -1.26 -5.00 114.28 105.27 1r1s n THR 121 Ca 0.00 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.05 61.15 1r1s n THR 121 Cb 0.00 -1.72 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1r1s n THR 121 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1r1s s GLU 122 N -2.51 4.39 0.07 -2.82 2.56 -1.26 -5.02 118.70 114.10 1r1s s GLU 122 Ca -0.37 2.03 0.02 0.00 0.00 0.00 0.00 54.97 56.65 1r1s s GLU 122 Cb 0.13 -3.21 -0.04 0.00 2.00 0.00 0.00 34.13 33.01 1r1s s GLU 122 CO 0.53 -0.26 0.09 0.15 -0.56 0.00 0.00 175.26 175.21 1r1s s LYS 123 N 0.08 2.95 -0.00 4.30 1.02 -1.26 -4.45 119.74 122.38 1r1s s LYS 123 Ca 0.57 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.95 1r1s s LYS 123 Cb -0.36 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 1r1s s LYS 123 CO 0.37 0.58 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.22 1r1s s PHE 124 N -1.37 0.89 -1.56 3.18 0.08 -0.61 -4.96 117.98 113.62 1r1s s PHE 124 Ca 0.29 -0.20 0.29 0.00 0.12 0.00 0.00 56.93 57.44 1r1s s PHE 124 Cb -0.12 -0.57 1.36 0.00 -0.57 0.00 0.00 43.02 43.12 1r1s s PHE 124 CO 0.22 -0.01 1.95 -0.35 -0.10 0.00 0.00 175.22 176.92 1r1s n PRO 125 N 2.68 0.58 -3.85 0.24 -0.04 -1.26 -0.48 135.00 132.87 1r1s n PRO 125 Ca -0.14 -0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.10 1r1s n PRO 125 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1r1s n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r1s s SER 126 N -2.50 0.09 0.11 3.54 1.04 -1.26 -4.89 113.70 109.83 1r1s s SER 126 Ca 0.29 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.97 1r1s s SER 126 Cb 0.20 0.36 -0.13 0.00 0.10 0.00 0.00 66.02 66.55 1r1s s SER 126 CO 0.47 -0.76 1.30 0.25 0.98 0.00 0.00 173.24 175.48 1r1s h LEU 127 N 2.70 0.79 -0.91 2.42 6.46 -1.96 -2.65 115.31 122.15 1r1s h LEU 127 Ca -0.34 -0.57 -0.01 0.00 -0.12 0.00 0.00 57.88 56.84 1r1s h LEU 127 Cb 1.21 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 1r1s h LEU 127 CO 0.55 1.36 0.51 -1.13 -0.62 0.00 0.00 178.44 179.10 1r1s h ASN 128 N 0.40 1.13 -0.66 1.25 -1.24 -1.96 0.13 115.58 114.62 1r1s h ASN 128 Ca -0.08 -0.09 -0.06 0.00 0.71 0.00 0.00 56.30 56.78 1r1s h ASN 128 Cb 1.50 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 40.24 1r1s h ASN 128 CO 0.17 0.89 0.17 0.11 -1.29 0.00 0.00 177.43 177.48 1r1s h LYS 129 N 1.27 1.06 -0.32 6.67 1.57 -1.95 -0.72 116.57 124.14 1r1s h LYS 129 Ca 0.32 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1r1s h LYS 129 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1r1s h LYS 129 CO -0.05 0.94 0.20 1.25 -0.57 0.00 0.00 179.45 181.22 1r1s h LEU 130 N 0.99 0.39 -0.44 2.94 6.46 -1.01 -1.83 115.31 122.80 1r1s h LEU 130 Ca 0.21 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 1r1s h LEU 130 Cb 0.36 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1r1s h LEU 130 CO 0.00 0.32 0.20 0.58 -0.62 0.00 0.00 178.44 178.92 1r1s h VAL 131 N 0.42 0.93 -0.45 1.05 2.07 -0.67 -2.47 116.25 117.13 1r1s h VAL 131 Ca 0.12 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1r1s h VAL 131 Cb 0.00 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1r1s h VAL 131 CO -0.02 0.07 -0.05 0.44 0.02 0.00 0.00 177.57 178.03 1r1s h ASP 132 N 0.40 0.74 0.04 0.57 3.45 -0.90 -2.49 116.42 118.23 1r1s h ASP 132 Ca 0.20 -0.19 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 1r1s h ASP 132 Cb 0.14 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1r1s h ASP 132 CO -0.16 0.84 -0.25 0.22 -1.57 0.00 0.00 179.24 178.32 1r1s h TYR 133 N 0.70 0.38 -0.08 4.55 5.03 -0.88 -2.01 116.97 124.66 1r1s h TYR 133 Ca 0.13 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1r1s h TYR 133 Cb 0.50 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.69 1r1s h TYR 133 CO 0.03 0.57 0.00 0.66 -1.32 0.00 0.00 178.16 178.10 1r1s n TYR 134 N -4.14 0.09 0.26 -3.82 4.02 -0.96 -2.00 117.16 110.61 1r1s n TYR 134 Ca -0.01 -0.05 0.14 0.00 -0.01 0.00 0.00 57.90 57.98 1r1s n TYR 134 Cb 0.38 0.00 0.38 0.00 -0.02 0.00 0.00 39.34 40.08 1r1s n TYR 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r1s h ARG 135 N 1.28 0.00 0.00 -0.72 3.08 -1.11 -1.08 114.38 115.84 1r1s h ARG 135 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r1s h ARG 135 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1r1s h ARG 135 CO 0.00 0.00 -0.11 0.25 -1.07 0.00 0.00 179.97 179.04 1r1s n THR 136 N -3.06 0.00 -4.35 2.04 -2.24 -1.20 -4.55 114.28 100.92 1r1s n THR 136 Ca 0.03 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.40 1r1s n THR 136 Cb 0.44 0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 1r1s n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1r1s s THR 137 N -0.45 2.56 0.20 4.28 2.01 -0.85 -5.11 115.64 118.30 1r1s s THR 137 Ca 0.00 -1.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.00 1r1s s THR 137 Cb 0.00 -2.18 -0.09 0.00 0.01 0.00 0.00 72.50 70.24 1r1s s THR 137 CO 0.00 0.05 1.42 -0.55 -0.69 0.00 0.00 174.62 174.84 1r1s s SER 138 N -2.24 6.73 0.25 3.53 0.15 -1.26 -4.32 113.70 116.55 1r1s s SER 138 Ca 0.17 2.54 0.24 0.00 0.70 0.00 0.00 55.95 59.61 1r1s s SER 138 Cb -0.10 -2.61 0.50 0.00 -1.71 0.00 0.00 66.02 62.10 1r1s s SER 138 CO 0.09 -0.67 1.56 -0.29 1.20 0.00 0.00 173.24 175.13 1r1s h ILE 139 N 3.76 0.00 -2.81 6.45 2.10 -1.25 -3.46 117.51 122.31 1r1s h ILE 139 Ca -0.45 -0.68 -0.64 0.00 1.08 0.00 0.00 64.86 64.17 1r1s h ILE 139 Cb 1.21 1.54 -0.07 0.00 -1.09 0.00 0.00 36.82 38.41 1r1s h ILE 139 CO 0.81 0.00 -0.38 -0.55 -1.08 0.00 0.00 178.15 176.95 1r1s s SER 140 N -5.01 6.54 0.00 2.19 0.15 -1.25 -5.00 113.70 111.31 1r1s s SER 140 Ca 0.08 0.64 0.21 0.00 0.70 0.00 0.00 55.95 57.58 1r1s s SER 140 Cb 0.10 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.29 1r1s s SER 140 CO 0.66 0.36 1.06 0.29 1.20 0.00 0.00 173.24 176.82 1r1s n LYS 141 N 2.02 1.41 -0.10 5.44 4.76 -1.26 -4.37 118.16 126.06 1r1s n LYS 141 Ca -0.17 -1.07 -0.13 0.00 -2.87 0.00 0.00 58.31 54.07 1r1s n LYS 141 Cb 0.54 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 32.16 1r1s n LYS 141 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1r1s n GLN 142 N 0.12 0.79 -4.43 1.97 1.13 -1.26 -5.05 117.38 110.65 1r1s n GLN 142 Ca 0.09 0.06 -0.24 0.00 -1.94 0.00 0.00 57.00 54.97 1r1s n GLN 142 Cb 0.46 -1.48 -0.08 0.00 0.11 0.00 0.00 30.24 29.25 1r1s n GLN 142 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1r1s s LYS 143 N -2.47 1.92 -0.40 -1.09 3.01 -1.26 -5.12 119.74 114.33 1r1s s LYS 143 Ca -0.19 -2.16 -0.14 0.00 -1.01 0.00 0.00 55.97 52.46 1r1s s LYS 143 Cb 0.07 -0.21 0.02 0.00 -1.01 0.00 0.00 37.83 36.69 1r1s s LYS 143 CO 0.67 -0.59 0.28 -0.65 0.51 0.00 0.00 175.35 175.58 1r1s s GLN 144 N -3.55 3.03 -0.11 1.68 -1.52 -1.26 -4.35 119.66 113.58 1r1s s GLN 144 Ca 0.29 -0.97 -0.03 0.00 -1.95 0.00 0.00 55.36 52.69 1r1s s GLN 144 Cb 0.02 -3.94 0.05 0.00 -0.22 0.00 0.00 33.01 28.92 1r1s s GLN 144 CO 0.20 -0.70 0.15 0.08 -0.25 0.00 0.00 175.29 174.77 1r1s s VAL 145 N 1.68 -0.24 -0.11 1.09 1.01 -1.26 -5.01 120.40 117.56 1r1s s VAL 145 Ca 0.05 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1r1s s VAL 145 Cb -0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1r1s s VAL 145 CO 0.10 0.06 -0.13 -0.36 0.00 0.00 0.00 175.10 174.76 1r1s s PHE 146 N 2.27 2.79 0.38 5.22 0.08 -1.26 -0.90 117.98 126.56 1r1s s PHE 146 Ca 0.04 -0.47 -0.27 0.00 0.12 0.00 0.00 56.93 56.34 1r1s s PHE 146 Cb -0.13 -1.78 -0.11 0.00 -0.57 0.00 0.00 43.02 40.43 1r1s s PHE 146 CO -0.07 -0.08 1.40 1.28 -0.10 0.00 0.00 175.22 177.65 1r1s n LEU 147 N 3.14 4.35 -3.94 -0.37 4.77 -0.41 -4.12 117.00 120.42 1r1s n LEU 147 Ca -0.18 1.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.88 1r1s n LEU 147 Cb 0.53 -1.56 -0.13 0.00 -2.33 0.00 0.00 43.42 39.92 1r1s n LEU 147 CO 0.29 -0.16 -0.37 -0.13 -1.33 0.00 0.00 177.39 175.68 1r1s s ARG 148 N -2.08 0.23 0.00 3.23 0.52 -0.40 -4.51 118.95 115.94 1r1s s ARG 148 Ca 0.56 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 1r1s s ARG 148 Cb -0.51 -0.09 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1r1s s ARG 148 CO 0.62 0.02 0.00 -0.40 0.02 0.00 0.00 175.30 175.56