#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1p s GLU 56 N 0.00 4.36 2.48 0.38 0.41 -1.26 -3.95 118.70 121.12 1r1p s GLU 56 Ca 0.00 2.18 0.00 0.00 -0.41 0.00 0.00 54.97 56.74 1r1p s GLU 56 Cb 0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1r1p s GLU 56 CO 0.00 -0.23 0.00 0.34 -0.49 0.00 0.00 175.26 174.88 1r1p n PHE 57 N 1.48 -0.32 0.00 1.61 -0.00 -1.26 -4.90 117.46 114.08 1r1p n PHE 57 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1r1p n PHE 57 Cb 0.42 0.10 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 1r1p n PHE 57 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1r1p n PRO 58 N 0.00 0.00 -0.53 -7.13 -0.01 -1.25 -4.40 135.00 121.68 1r1p n PRO 58 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 63.50 63.55 1r1p n PRO 58 Cb 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 33.50 33.74 1r1p n PRO 58 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 175.50 175.88 1r1p n GLU 59 N -0.79 2.70 0.00 -0.52 -0.58 -1.26 -3.92 120.64 116.27 1r1p n GLU 59 Ca 0.00 -2.91 0.10 0.00 -0.42 0.00 0.00 57.16 53.93 1r1p n GLU 59 Cb 0.00 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 28.98 1r1p n GLU 59 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1r1p n TRP 60 N -0.65 0.00 -4.40 -0.32 4.27 -1.26 -4.79 117.44 110.29 1r1p n TRP 60 Ca 0.24 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.62 1r1p n TRP 60 Cb 0.94 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.78 1r1p n TRP 60 CO 0.00 0.00 0.00 -0.59 -2.29 0.00 0.00 177.69 174.81 1r1p s PHE 61 N -2.47 2.08 -0.56 -2.67 -0.71 -1.25 -4.62 117.98 107.78 1r1p s PHE 61 Ca 0.13 -0.41 -0.18 0.00 -1.04 0.00 0.00 56.93 55.43 1r1p s PHE 61 Cb 0.16 -0.98 0.10 0.00 -1.21 0.00 0.00 43.02 41.09 1r1p s PHE 61 CO 0.61 0.50 0.61 -1.01 -1.34 0.00 0.00 175.22 174.59 1r1p s HIS 62 N -2.21 3.10 0.56 3.49 3.76 -0.82 -5.03 115.29 118.14 1r1p s HIS 62 Ca 0.22 -1.01 -0.18 0.00 -0.15 0.00 0.00 55.06 53.95 1r1p s HIS 62 Cb -0.05 -3.83 -0.05 0.00 1.11 0.00 0.00 32.58 29.76 1r1p s HIS 62 CO 0.10 -1.14 1.07 -1.83 -0.85 0.00 0.00 174.74 172.08 1r1p s GLU 63 N 2.27 3.43 0.00 1.40 -1.05 -1.26 -3.30 118.70 120.20 1r1p s GLU 63 Ca 0.09 1.33 0.00 0.00 -0.15 0.00 0.00 54.97 56.24 1r1p s GLU 63 Cb -0.25 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 1r1p s GLU 63 CO 0.06 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 175.95 1r1p n GLY 64 N -0.54 0.55 3.71 -3.83 0.00 -1.26 -4.99 105.19 98.83 1r1p n GLY 64 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1r1p n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r1p s LEU 65 N 0.00 4.27 0.80 0.99 2.96 -1.21 -5.06 118.68 121.43 1r1p s LEU 65 Ca 0.00 0.92 -0.12 0.00 -0.22 0.00 0.00 54.13 54.71 1r1p s LEU 65 Cb 0.00 -2.83 0.07 0.00 0.50 0.00 0.00 46.19 43.93 1r1p s LEU 65 CO 0.00 -0.07 1.10 -0.94 -1.32 0.00 0.00 176.35 175.12 1r1p s SER 66 N 0.76 4.51 0.17 3.68 1.04 -1.26 -4.79 113.70 117.81 1r1p s SER 66 Ca 0.29 1.25 -0.14 0.00 0.48 0.00 0.00 55.95 57.83 1r1p s SER 66 Cb -0.16 -1.97 0.12 0.00 0.10 0.00 0.00 66.02 64.11 1r1p s SER 66 CO 0.13 -1.95 1.74 -0.09 0.98 0.00 0.00 173.24 174.05 1r1p h ARG 67 N -1.08 0.28 0.00 4.02 2.43 -1.97 -1.80 114.38 116.26 1r1p h ARG 67 Ca -0.47 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.52 1r1p h ARG 67 Cb 1.27 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 1r1p h ARG 67 CO 0.60 0.18 -0.77 0.45 -1.51 0.00 0.00 179.97 178.92 1r1p h HIS 68 N 0.29 0.00 -0.60 2.20 3.86 -1.99 -2.34 115.15 116.57 1r1p h HIS 68 Ca 0.20 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1r1p h HIS 68 Cb 0.22 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.66 1r1p h HIS 68 CO -0.17 0.77 0.18 1.96 0.86 0.00 0.00 177.93 181.53 1r1p h GLN 69 N 0.00 0.91 -0.76 2.45 4.20 -1.90 -0.57 115.11 119.44 1r1p h GLN 69 Ca -0.01 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1r1p h GLN 69 Cb 1.51 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1r1p h GLN 69 CO 0.10 0.79 0.31 0.00 -0.67 0.00 0.00 178.83 179.36 1r1p h ALA 70 N 1.31 0.98 -0.33 3.87 0.00 -1.02 -0.97 119.26 123.11 1r1p h ALA 70 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1r1p h ALA 70 Cb 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r1p h ALA 70 CO -0.01 0.59 0.16 0.93 0.00 0.00 0.00 179.25 180.92 1r1p h GLU 71 N 1.09 0.48 -0.33 0.00 5.08 -1.11 -0.27 114.58 119.50 1r1p h GLU 71 Ca 0.25 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1r1p h GLU 71 Cb 0.20 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1r1p h GLU 71 CO -0.02 0.44 0.06 -0.91 -1.00 0.00 0.00 179.01 177.58 1r1p h ASN 72 N 0.40 0.01 -0.41 1.42 -0.26 -0.70 -0.18 115.58 115.86 1r1p h ASN 72 Ca 0.11 0.05 -0.09 0.00 -0.56 0.00 0.00 56.30 55.82 1r1p h ASN 72 Cb 0.12 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.45 1r1p h ASN 72 CO -0.01 0.04 -0.08 -0.07 -1.06 0.00 0.00 177.43 176.25 1r1p h LEU 73 N 0.18 0.78 -0.45 1.61 3.38 -0.90 -3.24 115.31 116.67 1r1p h LEU 73 Ca 0.16 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 1r1p h LEU 73 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1r1p h LEU 73 CO -0.21 0.95 -0.65 -0.07 0.09 0.00 0.00 178.44 178.56 1r1p h LEU 74 N 0.60 0.00 -2.06 1.67 3.38 -0.73 -2.32 115.31 115.86 1r1p h LEU 74 Ca 0.11 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1r1p h LEU 74 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1r1p h LEU 74 CO 0.04 0.65 0.35 0.24 0.09 0.00 0.00 178.44 179.81 1r1p h MET 75 N 0.00 0.00 -0.07 1.13 2.86 -1.06 -0.14 114.93 117.64 1r1p h MET 75 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1r1p h MET 75 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 1r1p h MET 75 CO 0.08 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.46 1r1p n GLY 76 N -1.51 -0.54 3.55 8.32 0.00 -0.87 -4.87 105.19 109.27 1r1p n GLY 76 Ca 0.06 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1r1p n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r1p s LYS 77 N -1.90 1.83 0.70 1.61 -0.14 -0.07 -5.14 119.74 116.63 1r1p s LYS 77 Ca 0.22 -2.01 -0.08 0.00 -1.36 0.00 0.00 55.97 52.74 1r1p s LYS 77 Cb 0.11 -1.46 0.04 0.00 -1.68 0.00 0.00 37.83 34.84 1r1p s LYS 77 CO 0.17 -0.03 1.03 -0.51 -0.76 0.00 0.00 175.35 175.25 1r1p s ASP 78 N -3.62 5.07 0.31 2.83 -0.00 -1.26 -5.00 116.67 115.00 1r1p s ASP 78 Ca 0.34 0.71 -0.28 0.00 -0.00 0.00 0.00 52.55 53.32 1r1p s ASP 78 Cb 0.08 -1.44 -0.13 0.00 -0.00 0.00 0.00 42.92 41.43 1r1p s ASP 78 CO 0.17 -1.48 1.16 0.00 -0.00 0.00 0.00 175.17 175.02 1r1p n ILE 79 N -2.93 1.96 0.00 0.77 3.06 -1.26 -2.52 119.36 118.44 1r1p n ILE 79 Ca 0.07 -0.49 0.00 0.00 -2.50 0.00 0.00 62.75 59.83 1r1p n ILE 79 Cb 0.59 -1.30 0.00 0.00 0.54 0.00 0.00 39.64 39.47 1r1p n ILE 79 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1r1p n GLY 80 N 1.02 3.22 3.74 4.50 0.00 0.16 -4.87 105.19 112.97 1r1p n GLY 80 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1r1p n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r1p s PHE 81 N -2.08 2.21 0.17 1.61 0.40 -1.05 -0.85 117.98 118.39 1r1p s PHE 81 Ca 0.00 1.52 -0.18 0.00 -0.60 0.00 0.00 56.93 57.66 1r1p s PHE 81 Cb 0.00 -3.56 0.04 0.00 0.51 0.00 0.00 43.02 40.01 1r1p s PHE 81 CO 0.00 -2.55 0.51 -0.59 0.70 0.00 0.00 175.22 173.29 1r1p s PHE 82 N -1.59 -0.24 -0.04 0.36 -0.71 -1.25 -1.04 117.98 113.47 1r1p s PHE 82 Ca 0.79 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 56.62 1r1p s PHE 82 Cb -0.33 0.39 0.02 0.00 -1.21 0.00 0.00 43.02 41.90 1r1p s PHE 82 CO 0.38 -0.84 -0.05 0.42 -1.34 0.00 0.00 175.22 173.79 1r1p s ILE 83 N -3.83 0.52 -0.18 -4.49 1.01 -0.52 -5.00 121.20 108.72 1r1p s ILE 83 Ca 0.06 -0.13 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1r1p s ILE 83 Cb -0.00 -0.54 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1r1p s ILE 83 CO -0.08 0.21 0.22 -0.63 0.00 0.00 0.00 174.94 174.67 1r1p s ILE 84 N 0.81 5.35 0.04 2.92 1.01 -1.26 -1.07 121.20 129.00 1r1p s ILE 84 Ca -0.11 0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1r1p s ILE 84 Cb -0.14 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1r1p s ILE 84 CO 0.00 0.41 0.01 0.00 0.00 0.00 0.00 174.94 175.36 1r1p s ARG 85 N 0.41 0.54 -0.05 2.79 1.70 -0.44 -1.95 118.95 121.96 1r1p s ARG 85 Ca 0.13 -0.95 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 1r1p s ARG 85 Cb -0.12 0.20 -0.02 0.00 -0.57 0.00 0.00 34.95 34.43 1r1p s ARG 85 CO 0.01 -0.11 1.02 0.00 -1.08 0.00 0.00 175.30 175.14 1r1p s ALA 86 N -3.01 3.30 0.36 7.88 0.00 -1.26 -0.34 121.76 128.68 1r1p s ALA 86 Ca -0.01 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 1r1p s ALA 86 Cb 0.01 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1r1p s ALA 86 CO -0.07 -0.44 1.32 0.45 0.00 0.00 0.00 175.76 177.03 1r1p s SER 87 N 1.08 6.61 -0.13 0.00 0.15 0.16 -4.89 113.70 116.68 1r1p s SER 87 Ca 0.51 2.72 -0.04 0.00 0.70 0.00 0.00 55.95 59.84 1r1p s SER 87 Cb -0.21 -2.65 -0.25 0.00 -1.71 0.00 0.00 66.02 61.21 1r1p s SER 87 CO 0.23 -0.65 0.32 0.00 1.20 0.00 0.00 173.24 174.34 1r1p n GLN 88 N 0.58 0.74 -0.18 5.44 6.02 -1.26 -4.01 117.38 124.71 1r1p n GLN 88 Ca 0.01 0.25 0.05 0.00 -0.01 0.00 0.00 57.00 57.30 1r1p n GLN 88 Cb 0.42 -1.69 0.33 0.00 1.02 0.00 0.00 30.24 30.32 1r1p n GLN 88 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1r1p h SER 89 N 0.06 0.70 -2.83 1.08 4.64 -1.99 -3.36 113.55 111.85 1r1p h SER 89 Ca -0.43 -0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.28 1r1p h SER 89 Cb 2.02 -0.15 -0.40 0.00 -0.31 0.00 0.00 62.40 63.56 1r1p h SER 89 CO 0.07 0.47 -0.79 -0.44 -0.87 0.00 0.00 176.83 175.26 1r1p s SER 90 N -6.25 3.05 0.19 4.97 0.01 -1.26 -5.10 113.70 109.31 1r1p s SER 90 Ca -0.10 -3.22 -0.33 0.00 1.31 0.00 0.00 55.95 53.61 1r1p s SER 90 Cb 0.19 -0.95 -0.14 0.00 0.21 0.00 0.00 66.02 65.33 1r1p s SER 90 CO 0.77 -0.16 1.45 -2.65 0.41 0.00 0.00 173.24 173.05 1r1p n PRO 91 N 2.72 1.95 -0.05 12.44 -0.02 -1.26 -0.95 135.00 149.83 1r1p n PRO 91 Ca 0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1r1p n PRO 91 Cb 0.41 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1r1p n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r1p n GLY 92 N 2.62 0.73 3.88 -1.23 0.00 -1.26 -5.07 105.19 104.86 1r1p n GLY 92 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1r1p n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r1p s ASP 93 N -2.61 6.55 -0.02 1.61 -0.00 -0.13 -5.01 116.67 117.06 1r1p s ASP 93 Ca 0.00 0.97 0.00 0.00 -0.00 0.00 0.00 52.55 53.52 1r1p s ASP 93 Cb 0.00 -2.25 -0.04 0.00 -0.00 0.00 0.00 42.92 40.64 1r1p s ASP 93 CO 0.00 -0.24 0.03 -0.36 -0.00 0.00 0.00 175.17 174.60 1r1p s PHE 94 N -2.11 3.17 0.11 4.23 0.08 -1.26 -0.67 117.98 121.53 1r1p s PHE 94 Ca 0.48 0.15 0.09 0.00 0.12 0.00 0.00 56.93 57.78 1r1p s PHE 94 Cb -0.11 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1r1p s PHE 94 CO 0.27 0.50 -0.24 -1.12 -0.10 0.00 0.00 175.22 174.53 1r1p s SER 95 N -1.46 2.88 -0.20 1.36 0.01 0.54 -1.58 113.70 115.25 1r1p s SER 95 Ca 0.19 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1r1p s SER 95 Cb -0.12 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1r1p s SER 95 CO 0.09 0.12 -0.16 -0.63 0.41 0.00 0.00 173.24 173.07 1r1p s ILE 96 N -1.10 2.33 -0.16 1.44 1.01 0.46 -1.32 121.20 123.86 1r1p s ILE 96 Ca 0.10 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 1r1p s ILE 96 Cb -0.10 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1r1p s ILE 96 CO 0.05 0.45 0.17 -0.44 0.00 0.00 0.00 174.94 175.16 1r1p s SER 97 N 1.31 6.33 -0.03 3.58 0.01 -0.23 -0.27 113.70 124.39 1r1p s SER 97 Ca 0.04 0.38 -0.00 0.00 1.31 0.00 0.00 55.95 57.68 1r1p s SER 97 Cb -0.14 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.01 1r1p s SER 97 CO -0.10 0.25 0.03 -0.69 0.41 0.00 0.00 173.24 173.14 1r1p s VAL 98 N -0.17 0.01 -0.01 3.43 1.01 0.83 -1.43 120.40 124.07 1r1p s VAL 98 Ca 0.12 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1r1p s VAL 98 Cb -0.12 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.03 1r1p s VAL 98 CO 0.02 0.14 1.64 -0.60 0.00 0.00 0.00 175.10 176.29 1r1p s ARG 99 N 1.39 4.19 0.51 2.72 6.06 -0.20 -1.84 118.95 131.78 1r1p s ARG 99 Ca -0.05 2.22 0.07 0.00 -2.50 0.00 0.00 55.73 55.47 1r1p s ARG 99 Cb -0.13 -3.85 0.07 0.00 0.06 0.00 0.00 34.95 31.10 1r1p s ARG 99 CO -0.03 -0.79 0.55 0.72 -2.50 0.00 0.00 175.30 173.25 1r1p n HIS 100 N 6.56 -1.53 -0.16 5.12 8.25 0.77 -0.66 115.22 133.57 1r1p n HIS 100 Ca 0.17 -2.00 -0.02 0.00 -0.26 0.00 0.00 57.72 55.60 1r1p n HIS 100 Cb 0.42 -0.45 0.06 0.00 1.12 0.00 0.00 29.99 31.14 1r1p n HIS 100 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1r1p h GLU 101 N 0.00 0.13 0.00 -0.41 4.57 -1.98 -3.30 114.58 113.60 1r1p h GLU 101 Ca -0.28 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1r1p h GLU 101 Cb 1.13 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.69 1r1p h GLU 101 CO 0.42 0.09 -0.22 -0.25 -1.18 0.00 0.00 179.01 177.87 1r1p n ASP 102 N -5.21 0.35 -1.17 1.04 10.43 -1.26 -4.99 116.55 115.74 1r1p n ASP 102 Ca 0.05 -0.56 -0.01 0.00 2.57 0.00 0.00 54.79 56.84 1r1p n ASP 102 Cb 0.26 1.01 -0.00 0.00 1.84 0.00 0.00 41.12 44.23 1r1p n ASP 102 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1r1p n ASP 103 N -1.11 -0.17 -4.17 -2.24 5.68 -1.24 -5.14 116.55 108.15 1r1p n ASP 103 Ca 0.01 -1.16 -0.29 0.00 -0.50 0.00 0.00 54.79 52.84 1r1p n ASP 103 Cb 0.06 0.29 -0.17 0.00 -1.14 0.00 0.00 41.12 40.17 1r1p n ASP 103 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1r1p s VAL 104 N -2.70 1.74 0.24 2.12 1.01 -1.26 -0.16 120.40 121.38 1r1p s VAL 104 Ca 0.02 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.26 1r1p s VAL 104 Cb -0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1r1p s VAL 104 CO 0.01 0.49 -0.19 -1.10 0.00 0.00 0.00 175.10 174.31 1r1p s GLN 105 N 0.27 1.54 -0.05 2.72 -0.21 -0.77 -4.94 119.66 118.23 1r1p s GLN 105 Ca -0.12 -1.66 0.05 0.00 0.02 0.00 0.00 55.36 53.64 1r1p s GLN 105 Cb -0.16 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.25 1r1p s GLN 105 CO 0.06 0.30 -0.19 -1.01 -2.12 0.00 0.00 175.29 172.33 1r1p s HIS 106 N -2.44 1.86 0.06 0.91 3.76 -1.26 -0.12 115.29 118.06 1r1p s HIS 106 Ca 0.26 -0.53 0.08 0.00 -0.15 0.00 0.00 55.06 54.71 1r1p s HIS 106 Cb -0.05 -1.24 -0.03 0.00 1.11 0.00 0.00 32.58 32.37 1r1p s HIS 106 CO 0.12 -0.17 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.58 1r1p s PHE 107 N -0.01 2.50 -0.20 1.40 0.40 0.62 -4.97 117.98 117.72 1r1p s PHE 107 Ca -0.03 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 1r1p s PHE 107 Cb -0.12 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1r1p s PHE 107 CO 0.02 0.26 0.31 0.21 0.70 0.00 0.00 175.22 176.73 1r1p s LYS 108 N -1.56 4.18 -0.40 0.44 2.20 -1.26 -0.41 119.74 122.93 1r1p s LYS 108 Ca 0.15 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.53 1r1p s LYS 108 Cb -0.10 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1r1p s LYS 108 CO 0.06 0.06 1.48 0.08 -0.36 0.00 0.00 175.35 176.67 1r1p s VAL 109 N 1.02 3.83 0.34 4.02 1.01 -0.61 -4.74 120.40 125.27 1r1p s VAL 109 Ca 0.16 0.85 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1r1p s VAL 109 Cb -0.14 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1r1p s VAL 109 CO 0.06 -0.70 0.72 -0.04 0.00 0.00 0.00 175.10 175.14 1r1p s MET 110 N 5.05 3.88 0.03 2.72 1.00 0.33 -4.64 119.30 127.68 1r1p s MET 110 Ca 0.64 0.52 -0.00 0.00 0.00 0.00 0.00 55.69 56.85 1r1p s MET 110 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 34.83 32.20 1r1p s MET 110 CO 0.33 0.10 -0.03 1.03 0.00 0.00 0.00 175.02 176.44 1r1p s ARG 111 N -3.33 0.45 0.51 2.03 1.81 -1.26 -1.41 118.95 117.75 1r1p s ARG 111 Ca 0.52 -0.87 0.01 0.00 -1.72 0.00 0.00 55.73 53.67 1r1p s ARG 111 Cb -0.10 0.11 -0.01 0.00 -0.45 0.00 0.00 34.95 34.50 1r1p s ARG 111 CO 0.24 -0.07 0.01 0.16 -0.68 0.00 0.00 175.30 174.96 1r1p s ASP 112 N -2.06 4.09 0.32 0.23 3.84 -1.12 -5.00 116.67 116.98 1r1p s ASP 112 Ca -0.06 -1.68 0.25 0.00 -0.00 0.00 0.00 52.55 51.06 1r1p s ASP 112 Cb -0.03 0.59 1.12 0.00 -1.38 0.00 0.00 42.92 43.22 1r1p s ASP 112 CO -0.04 -0.89 1.75 0.71 -0.00 0.00 0.00 175.17 176.70 1r1p h THR 113 N 1.34 0.00 -0.01 2.11 1.35 -2.02 -1.37 112.91 114.31 1r1p h THR 113 Ca -0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1r1p h THR 113 Cb 1.32 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1r1p h THR 113 CO 0.73 0.00 -0.14 0.29 -0.25 0.00 0.00 175.52 176.15 1r1p n LYS 114 N -2.36 1.23 -0.22 4.72 5.02 -1.26 -4.94 118.16 120.35 1r1p n LYS 114 Ca 0.01 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.57 1r1p n LYS 114 Cb 0.18 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1r1p n LYS 114 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r1p n GLY 115 N 1.27 0.75 3.81 0.72 0.00 -0.51 -5.06 105.19 106.16 1r1p n GLY 115 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1r1p n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r1p s ASN 116 N -2.48 4.93 -0.03 1.61 0.01 -1.26 -4.80 114.94 112.91 1r1p s ASN 116 Ca 0.00 1.53 0.07 0.00 -0.71 0.00 0.00 52.86 53.75 1r1p s ASN 116 Cb 0.00 -2.34 -0.02 0.00 0.41 0.00 0.00 41.25 39.30 1r1p s ASN 116 CO 0.00 -1.72 -0.23 -0.31 -1.51 0.00 0.00 177.10 173.33 1r1p s TYR 117 N -3.06 2.43 0.13 2.20 2.02 0.16 -2.79 117.35 118.43 1r1p s TYR 117 Ca 0.59 -0.38 -0.22 0.00 -0.37 0.00 0.00 57.07 56.69 1r1p s TYR 117 Cb -0.15 -1.54 0.06 0.00 -0.40 0.00 0.00 41.96 39.94 1r1p s TYR 117 CO 0.55 0.01 0.55 -0.59 -1.57 0.00 0.00 175.55 174.50 1r1p s PHE 118 N -0.62 -0.46 -0.10 2.71 -0.71 -0.50 -0.49 117.98 117.81 1r1p s PHE 118 Ca 0.10 0.29 -0.02 0.00 -1.04 0.00 0.00 56.93 56.26 1r1p s PHE 118 Cb -0.10 0.46 -0.06 0.00 -1.21 0.00 0.00 43.02 42.11 1r1p s PHE 118 CO -0.00 -0.78 -0.11 1.28 -1.34 0.00 0.00 175.22 174.27 1r1p n LEU 119 N -0.18 2.04 0.00 -1.99 4.77 -1.26 -0.51 117.00 119.86 1r1p n LEU 119 Ca -0.17 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1r1p n LEU 119 Cb 0.64 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1r1p n LEU 119 CO 0.15 0.48 0.00 0.79 -1.33 0.00 0.00 177.39 177.47 1r1p n TRP 120 N -3.08 0.00 0.00 -1.77 7.02 -1.26 -4.91 117.44 113.44 1r1p n TRP 120 Ca -0.19 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.29 1r1p n TRP 120 Cb 0.67 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.56 1r1p n TRP 120 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1r1p n THR 121 N 0.00 0.00 -2.16 -0.99 -2.24 -1.26 -5.03 114.28 102.60 1r1p n THR 121 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1r1p n THR 121 Cb 0.00 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.52 1r1p n THR 121 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1r1p s GLU 122 N -1.80 4.34 0.12 -0.78 2.56 -1.26 -5.02 118.70 116.85 1r1p s GLU 122 Ca 0.00 2.10 0.06 0.00 0.00 0.00 0.00 54.97 57.13 1r1p s GLU 122 Cb 0.00 -3.20 -0.04 0.00 2.00 0.00 0.00 34.13 32.89 1r1p s GLU 122 CO 0.00 -0.36 -0.02 0.15 -0.56 0.00 0.00 175.26 174.47 1r1p s LYS 123 N 0.41 2.42 0.01 4.30 1.02 -1.26 -4.41 119.74 122.23 1r1p s LYS 123 Ca 0.61 -0.95 -0.00 0.00 0.02 0.00 0.00 55.97 55.65 1r1p s LYS 123 Cb -0.38 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1r1p s LYS 123 CO 0.35 0.51 -0.02 -0.06 -0.92 0.00 0.00 175.35 175.21 1r1p s PHE 124 N -1.40 0.18 -1.12 3.18 0.08 0.36 -4.94 117.98 114.32 1r1p s PHE 124 Ca 0.25 -0.37 0.27 0.00 0.12 0.00 0.00 56.93 57.20 1r1p s PHE 124 Cb -0.11 -0.13 0.93 0.00 -0.57 0.00 0.00 43.02 43.14 1r1p s PHE 124 CO 0.17 -0.13 1.70 -0.35 -0.10 0.00 0.00 175.22 176.51 1r1p n PRO 125 N 2.04 0.13 -4.10 0.24 -0.04 -1.26 0.40 135.00 132.41 1r1p n PRO 125 Ca -0.20 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.13 1r1p n PRO 125 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1r1p n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1r1p s SER 126 N -2.90 0.42 0.27 3.54 1.04 -1.26 -4.85 113.70 109.97 1r1p s SER 126 Ca 0.16 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.52 1r1p s SER 126 Cb 0.19 0.24 0.38 0.00 0.10 0.00 0.00 66.02 66.92 1r1p s SER 126 CO 0.59 -0.65 1.84 0.25 0.98 0.00 0.00 173.24 176.25 1r1p h LEU 127 N 3.05 0.84 -0.69 2.42 5.85 -1.96 -1.85 115.31 122.98 1r1p h LEU 127 Ca -0.34 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.17 1r1p h LEU 127 Cb 1.16 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1r1p h LEU 127 CO 0.63 0.78 0.13 -1.13 -0.34 0.00 0.00 178.44 178.52 1r1p h ASN 128 N 0.89 1.07 -0.40 1.25 -1.24 -1.99 -0.63 115.58 114.53 1r1p h ASN 128 Ca 0.20 -0.25 -0.09 0.00 0.71 0.00 0.00 56.30 56.87 1r1p h ASN 128 Cb 0.23 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.98 1r1p h ASN 128 CO -0.01 1.04 -0.09 0.11 -1.29 0.00 0.00 177.43 177.19 1r1p h LYS 129 N 1.05 0.84 -0.48 6.67 1.57 -1.93 -0.71 116.57 123.59 1r1p h LYS 129 Ca 0.21 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1r1p h LYS 129 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1r1p h LYS 129 CO 0.01 0.90 0.28 1.25 -0.57 0.00 0.00 179.45 181.32 1r1p h LEU 130 N 0.76 0.58 -0.10 2.94 6.46 -0.69 -1.13 115.31 124.13 1r1p h LEU 130 Ca 0.13 -0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1r1p h LEU 130 Cb 0.59 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1r1p h LEU 130 CO 0.04 0.48 0.05 0.58 -0.62 0.00 0.00 178.44 178.96 1r1p h VAL 131 N 0.63 1.12 -0.59 1.05 2.07 -0.98 -2.48 116.25 117.08 1r1p h VAL 131 Ca 0.17 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1r1p h VAL 131 Cb 0.01 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1r1p h VAL 131 CO -0.03 0.10 0.33 0.44 0.02 0.00 0.00 177.57 178.44 1r1p h ASP 132 N 0.03 0.71 -0.67 0.57 3.45 -0.94 -1.20 116.42 118.36 1r1p h ASP 132 Ca 0.03 -0.05 -0.05 0.00 0.43 0.00 0.00 57.03 57.40 1r1p h ASP 132 Cb 0.13 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1r1p h ASP 132 CO -0.00 0.56 0.25 0.22 -1.57 0.00 0.00 179.24 178.70 1r1p h TYR 133 N 0.81 1.06 -0.00 4.55 5.03 -0.93 -2.31 116.97 125.18 1r1p h TYR 133 Ca 0.21 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.44 1r1p h TYR 133 Cb 0.00 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 37.97 1r1p h TYR 133 CO 0.00 0.82 0.00 0.66 -1.32 0.00 0.00 178.16 178.33 1r1p n TYR 134 N -4.28 0.00 0.20 -3.82 4.02 -0.49 -1.62 117.16 111.17 1r1p n TYR 134 Ca 0.06 -0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.03 1r1p n TYR 134 Cb 0.20 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 39.83 1r1p n TYR 134 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r1p h ARG 135 N 0.42 0.00 0.00 -0.72 3.08 -1.02 0.12 114.38 116.26 1r1p h ARG 135 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1r1p h ARG 135 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1r1p h ARG 135 CO 0.00 0.26 0.00 0.25 -1.07 0.00 0.00 179.97 179.41 1r1p n THR 136 N -3.29 0.00 -4.81 2.04 -2.24 -0.95 -4.47 114.28 100.55 1r1p n THR 136 Ca 0.01 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.20 1r1p n THR 136 Cb 0.52 1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 69.76 1r1p n THR 136 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1r1p s THR 137 N -0.37 3.16 0.30 4.28 2.01 -0.64 -5.09 115.64 119.28 1r1p s THR 137 Ca 0.00 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 1r1p s THR 137 Cb 0.00 -2.27 -0.12 0.00 0.01 0.00 0.00 72.50 70.12 1r1p s THR 137 CO 0.00 0.57 1.49 -0.24 -0.69 0.00 0.00 174.62 175.75 1r1p n SER 138 N 2.65 3.41 0.16 3.53 2.88 -1.26 -4.31 113.62 120.68 1r1p n SER 138 Ca -0.18 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.65 1r1p n SER 138 Cb 0.52 -1.54 0.29 0.00 -0.75 0.00 0.00 64.21 62.74 1r1p n SER 138 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1r1p h ILE 139 N 3.11 0.00 -2.94 2.46 2.10 -1.17 -3.45 117.51 117.63 1r1p h ILE 139 Ca -0.47 -0.72 -0.65 0.00 1.08 0.00 0.00 64.86 64.11 1r1p h ILE 139 Cb 1.25 1.71 -0.07 0.00 -1.09 0.00 0.00 36.82 38.61 1r1p h ILE 139 CO 0.74 0.00 -0.53 -0.55 -1.08 0.00 0.00 178.15 176.73 1r1p s SER 140 N -5.30 6.05 0.00 2.19 0.15 -1.26 -5.00 113.70 110.53 1r1p s SER 140 Ca 0.09 0.25 0.22 0.00 0.70 0.00 0.00 55.95 57.21 1r1p s SER 140 Cb 0.09 -1.83 0.51 0.00 -1.71 0.00 0.00 66.02 63.08 1r1p s SER 140 CO 0.63 0.27 1.44 0.29 1.20 0.00 0.00 173.24 177.07 1r1p n LYS 141 N 1.05 2.27 0.00 5.44 4.76 -1.26 -4.32 118.16 126.09 1r1p n LYS 141 Ca -0.12 -1.91 0.00 0.00 -2.87 0.00 0.00 58.31 53.41 1r1p n LYS 141 Cb 0.53 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 1r1p n LYS 141 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1r1p n GLN 142 N 1.14 0.81 -4.15 1.97 6.02 -1.26 -5.07 117.38 116.83 1r1p n GLN 142 Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1r1p n GLN 142 Cb 0.52 -0.96 -0.10 0.00 1.02 0.00 0.00 30.24 30.73 1r1p n GLN 142 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1r1p s LYS 143 N -1.83 0.92 -0.48 -1.09 1.02 -1.26 -5.11 119.74 111.91 1r1p s LYS 143 Ca 0.00 -1.44 -0.21 0.00 0.02 0.00 0.00 55.97 54.34 1r1p s LYS 143 Cb 0.00 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.57 1r1p s LYS 143 CO 0.00 -0.25 0.72 -1.14 -0.92 0.00 0.00 175.35 173.76 1r1p s GLN 144 N -4.04 3.26 -0.22 1.68 0.74 -1.26 -4.35 119.66 115.47 1r1p s GLN 144 Ca 0.24 -0.47 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 1r1p s GLN 144 Cb 0.07 -4.01 0.07 0.00 1.10 0.00 0.00 33.01 30.24 1r1p s GLN 144 CO 0.02 -1.18 0.05 0.08 -0.55 0.00 0.00 175.29 173.71 1r1p s VAL 145 N 3.05 0.57 -0.07 1.34 1.01 -1.26 -5.05 120.40 119.99 1r1p s VAL 145 Ca 0.23 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1r1p s VAL 145 Cb -0.15 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1r1p s VAL 145 CO 0.17 -0.34 0.15 -0.36 0.00 0.00 0.00 175.10 174.73 1r1p s PHE 146 N 1.82 3.56 0.27 5.22 0.08 -1.26 -0.73 117.98 126.95 1r1p s PHE 146 Ca 0.02 0.44 -0.29 0.00 0.12 0.00 0.00 56.93 57.21 1r1p s PHE 146 Cb -0.17 -1.88 -0.09 0.00 -0.57 0.00 0.00 43.02 40.30 1r1p s PHE 146 CO -0.13 0.69 1.09 -0.51 -0.10 0.00 0.00 175.22 176.26 1r1p s LEU 147 N -1.43 4.56 0.03 -0.37 1.43 0.03 -4.25 118.68 118.67 1r1p s LEU 147 Ca 0.20 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1r1p s LEU 147 Cb -0.12 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1r1p s LEU 147 CO 0.10 -0.13 -0.04 -0.13 0.23 0.00 0.00 176.35 176.38 1r1p s ARG 148 N -1.39 0.37 0.00 1.70 0.52 -0.03 -4.42 118.95 115.70 1r1p s ARG 148 Ca 0.44 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1r1p s ARG 148 Cb -0.32 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1r1p s ARG 148 CO 0.40 -0.02 0.00 -0.40 0.02 0.00 0.00 175.30 175.31