#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpm s ASP 2 N 0.00 3.51 -0.41 3.17 1.11 -1.26 -5.03 116.67 117.77 2kpm s ASP 2 Ca 0.00 2.03 0.02 0.00 0.18 0.00 0.00 52.55 54.78 2kpm s ASP 2 Cb 0.00 -2.54 0.12 0.00 1.07 0.00 0.00 42.92 41.57 2kpm s ASP 2 CO 0.00 -2.70 0.18 0.00 1.18 0.00 0.00 175.17 173.83 2kpm s GLN 3 N -4.75 1.34 -1.27 8.23 -2.07 -1.26 -5.04 119.66 114.83 2kpm s GLN 3 Ca 0.65 -1.91 -0.14 0.00 -1.82 0.00 0.00 55.36 52.13 2kpm s GLN 3 Cb -0.20 -2.61 0.13 0.00 -1.09 0.00 0.00 33.01 29.23 2kpm s GLN 3 CO 0.57 -1.08 1.68 1.17 -1.32 0.00 0.00 175.29 176.32 2kpm n LYS 4 N 3.86 3.31 -3.18 9.60 3.00 -1.26 -4.99 118.16 128.49 2kpm n LYS 4 Ca 0.05 -3.50 -0.37 0.00 -0.00 0.00 0.00 58.31 54.48 2kpm n LYS 4 Cb 0.37 -3.18 -0.06 0.00 0.00 0.00 0.00 35.03 32.16 2kpm n LYS 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2kpm s SER 5 N 2.93 7.08 0.02 3.14 0.01 -1.26 -5.00 113.70 120.62 2kpm s SER 5 Ca 0.46 1.35 -0.19 0.00 1.31 0.00 0.00 55.95 58.88 2kpm s SER 5 Cb 0.03 -2.39 -0.23 0.00 0.21 0.00 0.00 66.02 63.64 2kpm s SER 5 CO 0.02 0.16 1.12 0.28 0.41 0.00 0.00 173.24 175.23 2kpm h SER 6 N 3.99 0.59 -4.89 2.44 0.02 -2.08 -3.49 113.55 110.13 2kpm h SER 6 Ca -0.48 -0.75 0.18 0.00 -0.84 0.00 0.00 61.79 59.90 2kpm h SER 6 Cb 1.20 -0.18 -0.14 0.00 0.14 0.00 0.00 62.40 63.43 2kpm h SER 6 CO 0.65 1.26 0.59 -0.94 -1.14 0.00 0.00 176.83 177.24 2kpm s SER 7 N -6.81 -0.24 0.29 3.07 1.04 -1.26 -5.01 113.70 104.78 2kpm s SER 7 Ca -0.13 -0.12 0.20 0.00 0.48 0.00 0.00 55.95 56.38 2kpm s SER 7 Cb 0.04 0.34 1.06 0.00 0.10 0.00 0.00 66.02 67.56 2kpm s SER 7 CO 0.83 -0.59 1.61 -2.65 0.98 0.00 0.00 173.24 173.42 2kpm n PRO 8 N -0.31 0.13 -2.68 4.02 -0.02 -1.26 -4.94 135.00 129.94 2kpm n PRO 8 Ca -0.06 0.61 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 2kpm n PRO 8 Cb 0.61 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2kpm n PRO 8 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kpm n GLN 9 N -2.19 -2.70 -2.48 -0.52 6.02 -1.26 -5.06 117.38 109.19 2kpm n GLN 9 Ca -0.01 2.30 -0.23 0.00 -0.01 0.00 0.00 57.00 59.05 2kpm n GLN 9 Cb 0.05 -5.20 0.06 0.00 1.02 0.00 0.00 30.24 26.16 2kpm n GLN 9 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2kpm s PRO 10 N -2.01 2.29 -0.24 -1.09 0.04 -1.26 -5.04 135.00 127.68 2kpm s PRO 10 Ca 0.12 -0.65 -0.29 0.00 0.04 0.00 0.00 61.00 60.21 2kpm s PRO 10 Cb -0.03 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.14 2kpm s PRO 10 CO 0.72 -1.00 1.31 0.00 0.04 0.00 0.00 177.00 178.07 2kpm s ALA 11 N -2.98 3.47 -0.45 8.56 0.00 -1.26 -4.91 121.76 124.19 2kpm s ALA 11 Ca 0.60 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.85 2kpm s ALA 11 Cb -0.10 -3.72 0.29 0.00 0.00 0.00 0.00 23.12 19.59 2kpm s ALA 11 CO 0.41 -1.57 1.16 0.00 0.00 0.00 0.00 175.76 175.77 2kpm n ALA 12 N 7.32 3.36 -2.76 0.00 0.00 -1.26 -4.87 120.51 122.29 2kpm n ALA 12 Ca 0.15 -0.92 -0.33 0.00 0.00 0.00 0.00 53.44 52.33 2kpm n ALA 12 Cb 0.46 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 2kpm n ALA 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kpm s GLN 13 N -1.48 3.07 -0.22 0.00 -1.52 -1.26 -5.11 119.66 113.13 2kpm s GLN 13 Ca 0.22 -0.60 -0.08 0.00 -1.95 0.00 0.00 55.36 52.95 2kpm s GLN 13 Cb 0.17 -2.64 -0.04 0.00 -0.22 0.00 0.00 33.01 30.28 2kpm s GLN 13 CO 0.05 0.46 0.09 0.00 -0.25 0.00 0.00 175.29 175.64 2kpm s ALA 14 N -0.27 3.34 -0.27 6.09 0.00 -1.26 -5.05 121.76 124.33 2kpm s ALA 14 Ca 0.03 -0.95 -0.37 0.00 0.00 0.00 0.00 51.96 50.68 2kpm s ALA 14 Cb -0.13 -2.08 -0.13 0.00 0.00 0.00 0.00 23.12 20.79 2kpm s ALA 14 CO 0.03 -0.20 1.99 -2.30 0.00 0.00 0.00 175.76 175.28 2kpm n PRO 15 N 4.31 1.34 -4.16 0.00 -0.02 -1.26 -4.97 135.00 130.25 2kpm n PRO 15 Ca -0.16 0.44 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 2kpm n PRO 15 Cb 0.52 -2.39 -0.13 0.00 -0.02 0.00 0.00 33.50 31.48 2kpm n PRO 15 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2kpm s GLU 16 N 4.95 3.58 -0.21 -0.52 2.12 -1.26 -5.10 118.70 122.27 2kpm s GLU 16 Ca 1.03 -0.54 -0.06 0.00 0.36 0.00 0.00 54.97 55.75 2kpm s GLU 16 Cb -0.89 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2kpm s GLU 16 CO 0.55 0.04 0.03 0.99 -0.54 0.00 0.00 175.26 176.33 2kpm s THR 17 N 0.90 4.25 -0.03 -1.70 2.01 -1.26 -5.10 115.64 114.70 2kpm s THR 17 Ca 0.00 -0.21 0.04 0.00 0.31 0.00 0.00 61.69 61.84 2kpm s THR 17 Cb -0.14 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2kpm s THR 17 CO 0.02 0.41 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.46 2kpm s LYS 18 N 0.99 2.41 0.22 4.92 2.20 -1.26 -5.14 119.74 124.08 2kpm s LYS 18 Ca 0.03 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.85 2kpm s LYS 18 Cb -0.14 -2.33 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 2kpm s LYS 18 CO 0.02 0.61 0.45 -0.65 -0.36 0.00 0.00 175.35 175.42 2kpm s GLN 19 N -0.87 3.59 -0.15 4.03 -1.52 -1.26 -5.10 119.66 118.39 2kpm s GLN 19 Ca 0.12 -0.14 -0.01 0.00 -1.95 0.00 0.00 55.36 53.38 2kpm s GLN 19 Cb -0.11 -2.77 -0.02 0.00 -0.22 0.00 0.00 33.01 29.90 2kpm s GLN 19 CO 0.01 0.35 -0.10 0.00 -0.25 0.00 0.00 175.29 175.30 2kpm s ALA 20 N -1.88 2.71 -0.33 6.09 0.00 -1.26 -5.09 121.76 121.99 2kpm s ALA 20 Ca 0.41 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 2kpm s ALA 20 Cb -0.11 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.68 2kpm s ALA 20 CO 0.28 0.16 1.24 -0.06 0.00 0.00 0.00 175.76 177.38 2kpm s PHE 21 N 0.49 2.78 -0.75 0.00 0.08 -1.26 -4.99 117.98 114.34 2kpm s PHE 21 Ca -0.08 0.91 -0.26 0.00 0.12 0.00 0.00 56.93 57.62 2kpm s PHE 21 Cb -0.15 -3.95 0.02 0.00 -0.57 0.00 0.00 43.02 38.36 2kpm s PHE 21 CO 0.04 -1.47 1.46 -1.25 -0.10 0.00 0.00 175.22 173.90 2kpm s PRO 22 N 4.14 3.09 0.19 0.24 0.04 -1.26 -4.85 135.00 136.59 2kpm s PRO 22 Ca 0.53 -0.17 0.10 0.00 0.04 0.00 0.00 61.00 61.50 2kpm s PRO 22 Cb -0.14 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.95 2kpm s PRO 22 CO 0.23 -2.34 1.38 0.07 0.04 0.00 0.00 177.00 176.38 2kpm h ARG 23 N 11.12 0.00 0.36 4.56 0.11 -1.99 -3.29 114.38 125.24 2kpm h ARG 23 Ca -0.20 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.87 2kpm h ARG 23 Cb 1.07 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 2kpm h ARG 23 CO 1.28 0.81 -0.37 0.87 0.10 0.00 0.00 179.97 182.66 2kpm h LYS 24 N 0.00 -0.71 -0.54 0.08 1.57 -1.99 0.91 116.57 115.90 2kpm h LYS 24 Ca -0.01 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2kpm h LYS 24 Cb 1.56 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 34.01 2kpm h LYS 24 CO 0.11 -0.47 0.20 0.74 -0.57 0.00 0.00 179.45 179.45 2kpm h PHE 25 N -0.73 0.83 -0.20 -1.35 0.04 -1.99 -0.28 116.94 113.26 2kpm h PHE 25 Ca -0.04 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.63 2kpm h PHE 25 Cb 0.64 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 2kpm h PHE 25 CO -0.22 0.69 0.04 0.28 -0.60 0.00 0.00 178.31 178.50 2kpm h VAL 26 N 0.73 1.22 -0.37 -0.55 2.07 -1.61 -0.53 116.25 117.22 2kpm h VAL 26 Ca 0.18 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 2kpm h VAL 26 Cb 0.22 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2kpm h VAL 26 CO -0.01 0.22 -0.07 -0.07 0.02 0.00 0.00 177.57 177.66 2kpm h LEU 27 N 0.13 0.59 -1.06 2.57 3.38 -0.79 -0.17 115.31 119.95 2kpm h LEU 27 Ca 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2kpm h LEU 27 Cb 0.30 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2kpm h LEU 27 CO 0.00 0.70 0.51 0.00 0.09 0.00 0.00 178.44 179.74 2kpm h ALA 28 N 1.36 1.29 -0.18 1.53 0.00 -0.76 0.83 119.26 123.35 2kpm h ALA 28 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2kpm h ALA 28 Cb 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2kpm h ALA 28 CO 0.02 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 179.85 2kpm h ALA 29 N 1.39 0.24 0.57 0.00 0.00 -0.62 -2.95 119.26 117.89 2kpm h ALA 29 Ca 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2kpm h ALA 29 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kpm h ALA 29 CO -0.06 -0.01 -0.38 1.25 0.00 0.00 0.00 179.25 180.05 2kpm h LEU 30 N 0.05 -0.96 -1.45 0.00 5.85 -0.62 -0.03 115.31 118.15 2kpm h LEU 30 Ca 0.05 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2kpm h LEU 30 Cb 0.45 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 2kpm h LEU 30 CO 0.01 -0.58 0.44 1.05 -0.34 0.00 0.00 178.44 179.03 2kpm h GLU 31 N -0.91 0.65 0.00 1.25 4.11 -0.95 0.18 114.58 118.90 2kpm h GLU 31 Ca -0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2kpm h GLU 31 Cb 0.75 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2kpm h GLU 31 CO 0.05 0.43 0.00 1.96 0.07 0.00 0.00 179.01 181.52 2kpm h GLN 32 N 0.67 0.00 0.00 1.06 4.20 -1.34 -3.22 115.11 116.48 2kpm h GLN 32 Ca 0.29 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 2kpm h GLN 32 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2kpm h GLN 32 CO -0.09 0.00 -1.17 0.45 -0.67 0.00 0.00 178.83 177.35 2kpm n SER 33 N -3.03 0.84 -4.77 1.46 2.88 0.11 -4.93 113.62 106.18 2kpm n SER 33 Ca 0.04 0.34 -0.39 0.00 -1.33 0.00 0.00 58.87 57.53 2kpm n SER 33 Cb 0.50 0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 2kpm n SER 33 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kpm s SER 34 N -5.50 6.73 1.14 -3.46 0.01 0.40 -4.68 113.70 108.33 2kpm s SER 34 Ca -0.01 2.37 -0.13 0.00 1.31 0.00 0.00 55.95 59.49 2kpm s SER 34 Cb 0.09 -2.62 0.19 0.00 0.21 0.00 0.00 66.02 63.89 2kpm s SER 34 CO 0.80 -0.53 0.70 0.47 0.41 0.00 0.00 173.24 175.08 2kpm n ASP 35 N 0.41 -1.50 0.27 2.44 8.00 -0.11 -4.81 116.55 121.26 2kpm n ASP 35 Ca 0.02 -0.96 0.10 0.00 0.71 0.00 0.00 54.79 54.66 2kpm n ASP 35 Cb 0.45 -0.63 0.70 0.00 -0.02 0.00 0.00 41.12 41.63 2kpm n ASP 35 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kpm h ASP 36 N -1.97 0.00 0.00 -2.24 3.58 -1.97 -0.53 116.42 113.28 2kpm h ASP 36 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2kpm h ASP 36 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 2kpm h ASP 36 CO 0.17 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.54 2kpm n ALA 37 N -2.48 2.48 0.00 -0.78 0.00 -1.26 -4.87 120.51 113.60 2kpm n ALA 37 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kpm n ALA 37 Cb 0.10 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2kpm n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpm n GLY 38 N 0.53 2.76 3.77 0.00 0.00 -0.21 -4.99 105.19 107.06 2kpm n GLY 38 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2kpm n GLY 38 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpm s TRP 39 N -2.55 3.62 -0.16 1.61 0.52 -1.26 -4.55 118.94 116.17 2kpm s TRP 39 Ca 0.00 0.99 0.01 0.00 0.02 0.00 0.00 56.10 57.12 2kpm s TRP 39 Cb 0.00 -2.48 0.01 0.00 -1.15 0.00 0.00 33.47 29.85 2kpm s TRP 39 CO 0.00 0.36 -0.19 0.00 0.02 0.00 0.00 176.95 177.14 2kpm s ALA 40 N -0.10 2.35 0.30 0.98 0.00 -0.01 -0.93 121.76 124.35 2kpm s ALA 40 Ca 0.26 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2kpm s ALA 40 Cb -0.16 -1.13 -0.10 0.00 0.00 0.00 0.00 23.12 21.72 2kpm s ALA 40 CO 0.13 -0.16 1.44 1.21 0.00 0.00 0.00 175.76 178.38 2kpm s ASN 41 N 1.01 6.58 0.35 0.00 3.84 -1.26 -0.22 114.94 125.23 2kpm s ASN 41 Ca -0.02 2.79 0.12 0.00 0.21 0.00 0.00 52.86 55.97 2kpm s ASN 41 Cb -0.15 -2.64 0.94 0.00 -0.55 0.00 0.00 41.25 38.85 2kpm s ASN 41 CO -0.05 -0.73 1.76 0.25 -2.79 0.00 0.00 177.10 175.54 2kpm h LEU 42 N 4.19 0.61 -1.11 3.21 5.85 -1.49 0.28 115.31 126.85 2kpm h LEU 42 Ca -0.48 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2kpm h LEU 42 Cb 1.22 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2kpm h LEU 42 CO 0.72 0.14 0.59 1.23 -0.34 0.00 0.00 178.44 180.78 2kpm h GLY 43 N 0.55 1.26 1.43 3.75 0.00 -1.90 -0.89 103.07 107.27 2kpm h GLY 43 Ca 0.61 -0.48 -0.23 0.00 0.00 0.00 0.00 47.33 47.23 2kpm h GLY 43 CO -0.38 0.47 -0.94 3.43 0.00 0.00 0.00 176.54 179.11 2kpm h ASN 44 N 1.22 0.66 1.00 0.19 2.35 -0.90 -2.98 115.58 117.12 2kpm h ASN 44 Ca 0.33 -0.52 -0.05 0.00 -0.55 0.00 0.00 56.30 55.51 2kpm h ASN 44 Cb -0.13 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.04 2kpm h ASN 44 CO -0.07 1.31 -0.48 0.15 -1.65 0.00 0.00 177.43 176.69 2kpm h PHE 45 N 0.30 -1.25 -0.10 1.19 3.57 -0.68 -1.71 116.94 118.27 2kpm h PHE 45 Ca -0.09 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.41 2kpm h PHE 45 Cb 1.58 0.41 -0.00 0.00 2.79 0.00 0.00 35.95 40.73 2kpm h PHE 45 CO 0.07 -0.78 0.10 0.78 -2.23 0.00 0.00 178.31 176.25 2kpm h GLY 46 N -1.36 0.00 0.30 2.40 0.00 -1.30 0.33 103.07 103.44 2kpm h GLY 46 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2kpm h GLY 46 CO 0.23 0.00 -0.14 -0.57 0.00 0.00 0.00 176.54 176.05 2kpm h ASN 47 N 0.00 -0.34 0.43 0.19 -0.73 -1.35 -2.91 115.58 110.87 2kpm h ASN 47 Ca 0.05 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.15 2kpm h ASN 47 Cb 0.24 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 2kpm h ASN 47 CO -0.00 -0.09 -0.37 0.22 -0.37 0.00 0.00 177.43 176.82 2kpm h TYR 48 N -0.70 0.00 -0.45 0.67 3.20 -1.16 -2.60 116.97 115.93 2kpm h TYR 48 Ca -0.04 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2kpm h TYR 48 Cb 0.31 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2kpm h TYR 48 CO 0.05 0.37 0.25 1.25 -1.64 0.00 0.00 178.16 178.43 2kpm h LEU 49 N 0.00 0.56 -2.03 2.82 5.85 -1.06 -2.38 115.31 119.06 2kpm h LEU 49 Ca -0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kpm h LEU 49 Cb 0.68 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2kpm h LEU 49 CO 0.05 0.48 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.49 2kpm h ASN 50 N 0.59 0.00 0.38 1.25 -0.73 -1.25 0.21 115.58 116.03 2kpm h ASN 50 Ca 0.16 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.15 2kpm h ASN 50 Cb 0.04 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.62 2kpm h ASN 50 CO -0.03 0.00 -0.74 0.11 -0.37 0.00 0.00 177.43 176.40 2kpm h LYS 51 N 0.00 0.30 0.00 6.67 1.57 -1.30 -2.80 116.57 121.01 2kpm h LYS 51 Ca -0.00 -0.26 -0.21 0.00 -1.87 0.00 0.00 60.65 58.32 2kpm h LYS 51 Cb 0.32 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2kpm h LYS 51 CO 0.00 0.91 -1.14 -0.07 -0.57 0.00 0.00 179.45 178.58 2kpm h LEU 52 N 0.20 0.00 -7.17 2.94 3.38 -1.16 -3.43 115.31 110.07 2kpm h LEU 52 Ca -0.03 -0.55 -0.63 0.00 0.09 0.00 0.00 57.88 56.76 2kpm h LEU 52 Cb 1.32 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.66 2kpm h LEU 52 CO 0.12 1.44 -0.66 -1.10 0.09 0.00 0.00 178.44 178.33 2kpm s GLN 53 N -2.35 1.86 0.36 1.13 -1.52 0.65 -4.95 119.66 114.85 2kpm s GLN 53 Ca -0.28 -2.61 0.17 0.00 -1.95 0.00 0.00 55.36 50.69 2kpm s GLN 53 Cb 0.05 -3.01 0.67 0.00 -0.22 0.00 0.00 33.01 30.51 2kpm s GLN 53 CO 0.60 -1.18 1.74 -1.35 -0.25 0.00 0.00 175.29 174.86 2kpm h PRO 54 N 6.26 0.00 -0.07 2.91 0.11 -1.69 -3.06 132.00 136.46 2kpm h PRO 54 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2kpm h PRO 54 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2kpm h PRO 54 CO 0.63 0.40 0.00 -3.47 -0.21 0.00 0.00 178.00 175.35 2kpm n ASP 55 N -3.66 1.28 -4.55 -2.05 2.03 -1.26 -4.82 116.55 103.52 2kpm n ASP 55 Ca -0.01 -1.53 -0.40 0.00 0.52 0.00 0.00 54.79 53.38 2kpm n ASP 55 Cb 0.50 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 2kpm n ASP 55 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2kpm s PHE 56 N -1.92 1.99 -0.04 -0.67 5.36 -1.16 -4.98 117.98 116.57 2kpm s PHE 56 Ca 0.36 0.35 0.02 0.00 -0.96 0.00 0.00 56.93 56.69 2kpm s PHE 56 Cb 0.19 -4.38 -0.03 0.00 -0.34 0.00 0.00 43.02 38.46 2kpm s PHE 56 CO 0.30 -2.18 -0.07 0.34 -1.46 0.00 0.00 175.22 172.14 2kpm s ASP 57 N 5.76 4.61 0.09 6.13 2.15 -1.26 -5.03 116.67 129.12 2kpm s ASP 57 Ca 0.50 -0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.40 2kpm s ASP 57 Cb -0.10 -1.12 -0.26 0.00 -0.30 0.00 0.00 42.92 41.14 2kpm s ASP 57 CO 0.18 0.34 1.19 0.28 -0.17 0.00 0.00 175.17 176.98 2kpm h SER 58 N 5.01 0.29 -0.38 -0.34 0.02 -1.92 -3.29 113.55 112.94 2kpm h SER 58 Ca -0.48 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 60.21 2kpm h SER 58 Cb 1.17 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.59 2kpm h SER 58 CO 0.53 1.24 0.26 0.03 -1.14 0.00 0.00 176.83 177.75 2kpm h ARG 59 N 0.05 0.23 -1.00 3.45 2.47 -1.83 -0.48 114.38 117.27 2kpm h ARG 59 Ca -0.10 -0.01 0.19 0.00 -1.26 0.00 0.00 59.98 58.80 2kpm h ARG 59 Cb 1.91 -0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 30.07 2kpm h ARG 59 CO 0.18 0.16 0.61 -0.07 0.56 0.00 0.00 179.97 181.41 2kpm h LEU 60 N 0.24 0.79 -1.13 3.04 3.38 -1.86 0.13 115.31 119.90 2kpm h LEU 60 Ca 0.17 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2kpm h LEU 60 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2kpm h LEU 60 CO -0.03 0.29 0.00 -1.22 0.09 0.00 0.00 178.44 177.56 2kpm n TYR 61 N -4.75 0.13 -0.13 1.13 4.02 -0.24 -4.91 117.16 112.40 2kpm n TYR 61 Ca 0.23 -0.07 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2kpm n TYR 61 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 2kpm n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2kpm n GLY 62 N 1.17 0.79 3.84 2.72 0.00 0.03 -5.06 105.19 108.68 2kpm n GLY 62 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2kpm n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kpm s TYR 63 N -2.43 3.45 0.06 1.61 1.51 -0.89 -4.92 117.35 115.73 2kpm s TYR 63 Ca 0.00 1.43 -0.16 0.00 -1.01 0.00 0.00 57.07 57.33 2kpm s TYR 63 Cb 0.00 -2.79 -0.21 0.00 -0.11 0.00 0.00 41.96 38.84 2kpm s TYR 63 CO 0.00 -0.51 1.19 0.87 -1.11 0.00 0.00 175.55 176.00 2kpm h LYS 64 N 0.59 0.62 -2.51 -0.62 1.79 -1.95 -3.08 116.57 111.40 2kpm h LYS 64 Ca -0.46 -0.61 0.15 0.00 -2.18 0.00 0.00 60.65 57.55 2kpm h LYS 64 Cb 1.19 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.93 2kpm h LYS 64 CO 0.61 1.22 0.44 -1.59 -1.08 0.00 0.00 179.45 179.05 2kpm s LYS 65 N -3.42 1.37 0.23 3.15 -2.85 -1.26 -4.75 119.74 112.22 2kpm s LYS 65 Ca -0.11 -0.78 -0.06 0.00 -1.00 0.00 0.00 55.97 54.01 2kpm s LYS 65 Cb 0.06 0.45 0.40 0.00 -2.06 0.00 0.00 37.83 36.68 2kpm s LYS 65 CO 0.88 -0.63 1.72 1.25 0.10 0.00 0.00 175.35 178.67 2kpm h LEU 66 N 2.00 0.17 -0.98 2.77 5.85 -1.96 -1.25 115.31 121.92 2kpm h LEU 66 Ca -0.24 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2kpm h LEU 66 Cb 1.23 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.31 2kpm h LEU 66 CO 0.27 0.07 0.63 0.77 -0.34 0.00 0.00 178.44 179.84 2kpm h SER 67 N 0.37 1.02 -0.25 1.25 4.64 -2.00 0.36 113.55 118.94 2kpm h SER 67 Ca 0.38 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.60 2kpm h SER 67 Cb 0.57 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2kpm h SER 67 CO -0.40 0.66 -0.21 -0.78 -0.87 0.00 0.00 176.83 175.22 2kpm h ASP 68 N 1.16 0.72 0.07 4.97 3.58 -1.66 -3.17 116.42 122.09 2kpm h ASP 68 Ca 0.42 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kpm h ASP 68 Cb 0.14 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2kpm h ASP 68 CO -0.16 0.92 -0.03 0.25 -2.88 0.00 0.00 179.24 177.34 2kpm h LEU 69 N 0.63 -0.07 0.56 2.28 5.85 -0.76 -3.05 115.31 120.74 2kpm h LEU 69 Ca 0.09 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 2kpm h LEU 69 Cb 0.70 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2kpm h LEU 69 CO 0.05 0.37 -0.49 0.58 -0.34 0.00 0.00 178.44 178.61 2kpm h VAL 70 N -0.54 0.00 0.00 1.05 2.07 -1.00 -0.20 116.25 117.63 2kpm h VAL 70 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2kpm h VAL 70 Cb 0.46 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2kpm h VAL 70 CO 0.01 0.00 -0.01 0.07 0.02 0.00 0.00 177.57 177.66 2kpm h LYS 71 N -1.03 0.00 -0.01 1.57 2.10 -1.70 -2.50 116.57 115.01 2kpm h LYS 71 Ca -0.07 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.49 2kpm h LYS 71 Cb 0.87 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.21 2kpm h LYS 71 CO -0.02 0.01 -0.35 0.00 -2.00 0.00 0.00 179.45 177.09 2kpm h ALA 72 N 1.99 0.05 -0.74 0.07 0.00 -1.35 -3.38 119.26 115.91 2kpm h ALA 72 Ca -0.00 -0.49 -0.75 0.00 0.00 0.00 0.00 54.91 53.67 2kpm h ALA 72 Cb 0.34 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.02 2kpm h ALA 72 CO 0.00 0.17 2.29 0.54 0.00 0.00 0.00 179.25 182.25 2kpm n ARG 73 N -4.42 3.89 0.19 0.00 5.12 -0.12 -4.70 116.66 116.62 2kpm n ARG 73 Ca -0.10 -3.40 0.13 0.00 -1.93 0.00 0.00 57.85 52.56 2kpm n ARG 73 Cb 0.55 -2.84 0.70 0.00 -1.16 0.00 0.00 32.46 29.70 2kpm n ARG 73 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2kpm h THR 74 N 3.36 0.00 -1.09 0.55 1.35 -1.71 -2.06 112.91 113.31 2kpm h THR 74 Ca 0.52 -0.04 0.30 0.00 -0.55 0.00 0.00 66.41 66.63 2kpm h THR 74 Cb 0.51 0.66 -0.10 0.00 -1.73 0.00 0.00 68.15 67.50 2kpm h THR 74 CO 1.60 0.00 0.71 -0.78 -0.25 0.00 0.00 175.52 176.80 2kpm h ASP 75 N 0.00 0.38 0.00 5.36 3.58 -1.92 -3.22 116.42 120.59 2kpm h ASP 75 Ca 0.00 0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.39 2kpm h ASP 75 Cb 0.06 0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2kpm h ASP 75 CO 0.00 0.04 -1.56 0.18 -2.88 0.00 0.00 179.24 175.02 2kpm n LEU 76 N -4.60 2.97 -4.19 2.28 4.77 -0.81 -4.86 117.00 112.57 2kpm n LEU 76 Ca 0.27 -0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 2kpm n LEU 76 Cb 0.99 -0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.57 2kpm n LEU 76 CO 0.26 0.66 -0.55 -0.36 -1.33 0.00 0.00 177.39 176.07 2kpm s PHE 77 N -2.20 2.59 -0.22 -1.77 0.08 -1.03 -1.39 117.98 114.04 2kpm s PHE 77 Ca -0.13 -1.20 -0.22 0.00 0.12 0.00 0.00 56.93 55.50 2kpm s PHE 77 Cb 0.03 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2kpm s PHE 77 CO 0.22 -0.52 0.72 0.08 -0.10 0.00 0.00 175.22 175.62 2kpm s VAL 78 N 0.61 4.94 -0.12 -0.44 1.01 0.73 -4.09 120.40 123.04 2kpm s VAL 78 Ca -0.12 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2kpm s VAL 78 Cb -0.17 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2kpm s VAL 78 CO 0.03 0.03 -0.17 0.42 0.00 0.00 0.00 175.10 175.41 2kpm s THR 79 N 2.34 2.71 -0.10 3.92 -4.23 -1.26 -1.54 115.64 117.48 2kpm s THR 79 Ca 0.31 -0.79 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 2kpm s THR 79 Cb -0.16 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.62 2kpm s THR 79 CO 0.09 0.54 0.23 -1.61 -0.54 0.00 0.00 174.62 173.33 2kpm s GLU 80 N 0.33 0.18 -0.11 3.99 2.02 -0.75 -5.03 118.70 119.33 2kpm s GLU 80 Ca -0.14 0.52 -0.22 0.00 0.02 0.00 0.00 54.97 55.15 2kpm s GLU 80 Cb -0.17 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 2kpm s GLU 80 CO 0.07 -0.17 0.65 -1.21 0.02 0.00 0.00 175.26 174.61 2kpm s GLU 81 N 1.33 4.36 0.09 1.61 2.02 -1.26 -1.61 118.70 125.24 2kpm s GLU 81 Ca -0.09 0.74 0.09 0.00 0.02 0.00 0.00 54.97 55.73 2kpm s GLU 81 Cb -0.11 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 2kpm s GLU 81 CO -0.08 -0.01 -0.19 1.03 0.02 0.00 0.00 175.26 176.03 2kpm s ARG 82 N 1.08 1.84 -0.05 1.61 1.81 0.16 -4.93 118.95 120.47 2kpm s ARG 82 Ca 0.33 -1.13 -0.30 0.00 -1.72 0.00 0.00 55.73 52.92 2kpm s ARG 82 Cb -0.17 -2.11 -0.02 0.00 -0.45 0.00 0.00 34.95 32.20 2kpm s ARG 82 CO 0.14 0.50 0.98 -1.14 -0.68 0.00 0.00 175.30 175.11 2kpm s GLN 83 N -1.87 4.49 -0.08 3.54 0.74 -1.26 -0.91 119.66 124.31 2kpm s GLN 83 Ca 0.16 1.39 -0.21 0.00 0.05 0.00 0.00 55.36 56.75 2kpm s GLN 83 Cb -0.10 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2kpm s GLN 83 CO 0.08 -0.18 0.62 0.08 -0.55 0.00 0.00 175.29 175.34 2kpm s VAL 84 N 1.49 5.08 -0.31 1.34 1.01 -1.26 -4.96 120.40 122.79 2kpm s VAL 84 Ca 0.50 1.26 -0.37 0.00 0.00 0.00 0.00 61.98 63.37 2kpm s VAL 84 Cb -0.20 -3.96 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 2kpm s VAL 84 CO 0.23 0.29 2.02 -2.65 0.00 0.00 0.00 175.10 174.99 2kpm n PRO 85 N 3.65 1.15 -0.26 2.72 -0.02 -1.26 -0.22 135.00 140.75 2kpm n PRO 85 Ca -0.04 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2kpm n PRO 85 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2kpm n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kpm n GLY 86 N 5.67 0.73 3.28 -1.23 0.00 -1.26 -5.07 105.19 107.32 2kpm n GLY 86 Ca 0.36 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 2kpm n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kpm s SER 87 N -2.57 3.43 0.37 1.61 0.01 0.69 -5.00 113.70 112.25 2kpm s SER 87 Ca 0.00 -0.47 0.24 0.00 1.31 0.00 0.00 55.95 57.03 2kpm s SER 87 Cb 0.00 -1.43 0.48 0.00 0.21 0.00 0.00 66.02 65.28 2kpm s SER 87 CO 0.00 0.17 1.66 0.00 0.41 0.00 0.00 173.24 175.48 2kpm h THR 88 N 5.53 0.00 -3.02 1.44 1.03 -1.98 -3.41 112.91 112.51 2kpm h THR 88 Ca -0.23 -0.84 -0.65 0.00 -0.01 0.00 0.00 66.41 64.68 2kpm h THR 88 Cb 1.22 1.84 -0.09 0.00 -1.07 0.00 0.00 68.15 70.05 2kpm h THR 88 CO 0.50 0.00 -0.55 0.00 -0.01 0.00 0.00 175.52 175.46 2kpm s GLN 89 N -3.18 3.16 0.08 0.00 -2.07 -1.26 -5.07 119.66 111.32 2kpm s GLN 89 Ca 0.08 -0.42 -0.05 0.00 -1.82 0.00 0.00 55.36 53.15 2kpm s GLN 89 Cb 0.07 -2.93 -0.05 0.00 -1.09 0.00 0.00 33.01 29.02 2kpm s GLN 89 CO 0.65 0.67 0.30 -1.59 -1.32 0.00 0.00 175.29 174.00 2kpm s LYS 90 N -1.68 3.57 0.25 9.60 -2.85 -1.26 -4.27 119.74 123.10 2kpm s LYS 90 Ca 0.23 -0.15 0.08 0.00 -1.00 0.00 0.00 55.97 55.13 2kpm s LYS 90 Cb -0.12 -2.97 -0.04 0.00 -2.06 0.00 0.00 37.83 32.63 2kpm s LYS 90 CO 0.14 0.56 0.08 0.00 0.10 0.00 0.00 175.35 176.23 2kpm s ALA 91 N -1.49 3.34 -0.21 0.59 0.00 -0.09 -4.90 121.76 119.00 2kpm s ALA 91 Ca 0.35 -1.53 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 2kpm s ALA 91 Cb -0.13 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 2kpm s ALA 91 CO 0.22 0.28 0.63 -1.17 0.00 0.00 0.00 175.76 175.72 2kpm s LEU 92 N -3.66 4.13 0.02 0.00 2.96 -1.26 -0.67 118.68 120.19 2kpm s LEU 92 Ca 0.32 0.81 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2kpm s LEU 92 Cb -0.07 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 2kpm s LEU 92 CO 0.22 -0.28 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.60 2kpm s TYR 93 N 1.98 2.92 0.14 5.38 1.51 -0.63 -1.11 117.35 127.54 2kpm s TYR 93 Ca 0.28 -0.03 0.09 0.00 -1.01 0.00 0.00 57.07 56.40 2kpm s TYR 93 Cb -0.16 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 2kpm s TYR 93 CO 0.10 0.40 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.22 2kpm s LEU 94 N -1.56 2.38 0.03 -1.29 1.43 0.69 -1.81 118.68 118.55 2kpm s LEU 94 Ca 0.18 -0.79 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 2kpm s LEU 94 Cb -0.11 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.23 2kpm s LEU 94 CO 0.09 0.03 0.40 0.00 0.23 0.00 0.00 176.35 177.10 2kpm s ARG 95 N -2.41 0.87 0.51 1.70 1.70 -0.59 -0.83 118.95 119.90 2kpm s ARG 95 Ca 0.13 -0.30 -0.21 0.00 -0.47 0.00 0.00 55.73 54.87 2kpm s ARG 95 Cb -0.08 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.63 2kpm s ARG 95 CO 0.06 -0.28 1.18 0.00 -1.08 0.00 0.00 175.30 175.18 2kpm s ALA 96 N -2.17 2.82 -0.80 7.88 0.00 -1.26 -0.19 121.76 128.05 2kpm s ALA 96 Ca -0.07 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.59 2kpm s ALA 96 Cb -0.02 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2kpm s ALA 96 CO -0.00 -0.83 1.44 0.21 0.00 0.00 0.00 175.76 176.57 2kpm s LYS 97 N -2.96 3.17 -0.42 0.00 2.47 -0.49 -4.60 119.74 116.91 2kpm s LYS 97 Ca 0.69 -0.33 -0.09 0.00 -1.56 0.00 0.00 55.97 54.68 2kpm s LYS 97 Cb -0.29 -4.53 0.08 0.00 -1.46 0.00 0.00 37.83 31.63 2kpm s LYS 97 CO 0.34 -2.31 0.26 -0.51 0.16 0.00 0.00 175.35 173.29 2kpm s LEU 98 N 6.27 5.15 0.37 5.43 1.43 -1.26 -5.00 118.68 131.06 2kpm s LEU 98 Ca 0.44 -1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 51.98 2kpm s LEU 98 Cb -0.07 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2kpm s LEU 98 CO 0.09 -0.54 0.60 -1.83 0.23 0.00 0.00 176.35 174.90 2kpm s GLU 99 N 1.43 2.08 -0.27 1.70 4.04 -1.26 -5.15 118.70 121.28 2kpm s GLU 99 Ca 0.03 -1.70 -0.02 0.00 0.04 0.00 0.00 54.97 53.32 2kpm s GLU 99 Cb -0.23 0.51 0.12 0.00 0.02 0.00 0.00 34.13 34.55 2kpm s GLU 99 CO 0.02 -0.91 0.25 -1.58 -1.84 0.00 0.00 175.26 171.20 2kpm s HIS 100 N -2.65 -0.29 -0.38 4.83 5.65 -1.26 -5.11 115.29 116.08 2kpm s HIS 100 Ca 0.26 -0.18 -0.41 0.00 0.25 0.00 0.00 55.06 54.98 2kpm s HIS 100 Cb -0.02 -0.50 -0.16 0.00 -1.18 0.00 0.00 32.58 30.71 2kpm s HIS 100 CO 0.18 -0.82 1.93 0.72 -0.65 0.00 0.00 174.74 176.10 2kpm n HIS 101 N 5.30 1.71 -1.85 3.88 8.25 -1.26 -4.83 115.22 126.42 2kpm n HIS 101 Ca -0.04 0.60 -0.42 0.00 -0.26 0.00 0.00 57.72 57.60 2kpm n HIS 101 Cb 0.46 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.13 2kpm n HIS 101 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpm s HIS 102 N 4.99 2.84 -0.97 4.41 3.76 -1.26 -4.90 115.29 124.15 2kpm s HIS 102 Ca 1.07 0.44 0.23 0.00 -0.15 0.00 0.00 55.06 56.65 2kpm s HIS 102 Cb -1.17 -4.02 0.19 0.00 1.11 0.00 0.00 32.58 28.70 2kpm s HIS 102 CO 0.64 -3.88 1.19 1.58 -0.85 0.00 0.00 174.74 173.42 2kpm n HIS 103 N 4.37 0.02 -0.08 1.40 -0.00 -1.26 -4.42 115.22 115.25 2kpm n HIS 103 Ca 0.15 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.22 2kpm n HIS 103 Cb 0.38 -0.16 -0.05 0.00 -0.12 0.00 0.00 29.99 30.03 2kpm n HIS 103 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kpm n HIS 104 N -1.53 0.86 -1.67 1.57 8.25 -1.26 -5.36 115.22 116.08 2kpm n HIS 104 Ca 0.05 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2kpm n HIS 104 Cb 0.34 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.58 2kpm n HIS 104 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56