#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 5.28 0.06 0.00 -4.77 -1.26 -4.90 116.67 111.08 2kgl s ASP 2 Ca 0.00 -0.03 0.07 0.00 -3.30 0.00 0.00 52.55 49.29 2kgl s ASP 2 Cb 0.00 -1.38 -0.03 0.00 -1.09 0.00 0.00 42.92 40.42 2kgl s ASP 2 CO 0.00 0.22 -0.16 0.28 0.70 0.00 0.00 175.17 176.21 2kgl s THR 3 N -1.24 2.97 0.67 2.11 -1.32 -1.26 -5.12 115.64 112.45 2kgl s THR 3 Ca 0.24 -1.20 -0.14 0.00 -1.21 0.00 0.00 61.69 59.37 2kgl s THR 3 Cb -0.12 -2.29 0.01 0.00 -1.51 0.00 0.00 72.50 68.59 2kgl s THR 3 CO 0.16 0.27 1.11 -2.16 -2.21 0.00 0.00 174.62 171.79 2kgl s PRO 4 N -1.65 2.72 -0.41 7.08 0.04 -1.26 -5.02 135.00 136.50 2kgl s PRO 4 Ca 0.16 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 2kgl s PRO 4 Cb -0.11 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.58 2kgl s PRO 4 CO 0.07 -1.30 0.22 0.20 0.04 0.00 0.00 177.00 176.23 2kgl s GLY 5 N -2.70 1.96 0.00 0.56 0.00 -1.26 -4.64 107.32 101.23 2kgl s GLY 5 Ca 0.66 -2.24 0.00 0.00 0.00 0.00 0.00 44.72 43.14 2kgl s GLY 5 CO 0.44 0.97 0.00 1.18 0.00 0.00 0.00 173.10 175.68 2kgl n GLU 6 N 4.80 0.00 -2.94 2.90 1.02 -1.26 -5.02 120.64 120.14 2kgl n GLU 6 Ca -0.08 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.66 2kgl n GLU 6 Cb 0.42 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.84 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kgl n ALA 7 N -0.74 5.29 -2.51 0.62 0.00 -1.26 -5.00 120.51 116.91 2kgl n ALA 7 Ca 0.00 -4.74 -0.25 0.00 0.00 0.00 0.00 53.44 48.45 2kgl n ALA 7 Cb 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.28 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N -3.31 1.71 0.96 0.00 -1.32 -1.26 -5.15 115.64 107.27 2kgl s THR 8 Ca 0.35 -1.38 -0.12 0.00 -1.21 0.00 0.00 61.69 59.33 2kgl s THR 8 Cb 0.12 -1.52 0.17 0.00 -1.51 0.00 0.00 72.50 69.75 2kgl s THR 8 CO 0.01 0.07 1.09 -2.16 -2.21 0.00 0.00 174.62 171.43 2kgl s PRO 9 N -1.56 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.97 2kgl s PRO 9 Ca 0.07 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 2kgl s PRO 9 Cb -0.09 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2kgl s PRO 9 CO 0.03 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.36 2kgl s PRO 10 N -4.95 0.73 -1.13 0.56 0.04 -1.26 -4.88 135.00 124.11 2kgl s PRO 10 Ca 0.65 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2kgl s PRO 10 Cb -0.18 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 2kgl s PRO 10 CO 0.57 -2.56 1.93 -0.35 0.04 0.00 0.00 177.00 176.64 2kgl n PRO 11 N -4.07 1.59 0.02 0.56 -0.04 -1.26 -4.72 135.00 127.07 2kgl n PRO 11 Ca 0.06 -2.39 -0.00 0.00 -0.04 0.00 0.00 63.50 61.13 2kgl n PRO 11 Cb 0.56 -3.62 0.30 0.00 -0.04 0.00 0.00 33.50 30.71 2kgl n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgl h ARG 12 N 9.45 0.48 0.00 0.54 3.08 -2.02 -3.36 114.38 122.55 2kgl h ARG 12 Ca 0.25 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2kgl h ARG 12 Cb 0.90 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 2kgl h ARG 12 CO 1.33 0.54 -0.24 1.63 -1.07 0.00 0.00 179.97 182.16 2kgl n LYS 13 N -4.27 0.00 0.01 0.04 4.76 -1.26 -4.88 118.16 112.57 2kgl n LYS 13 Ca 0.01 -0.51 -0.02 0.00 -2.87 0.00 0.00 58.31 54.92 2kgl n LYS 13 Cb 0.26 -0.11 -0.01 0.00 -1.84 0.00 0.00 35.03 33.33 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kgl h LYS 14 N 0.05 -0.14 -0.74 1.97 1.57 -1.82 -3.35 116.57 114.11 2kgl h LYS 14 Ca -0.07 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 2kgl h LYS 14 Cb 1.21 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 2kgl h LYS 14 CO -0.02 -0.08 0.08 1.17 -0.57 0.00 0.00 179.45 180.03 2kgl n LYS 15 N -4.88 3.60 -0.08 3.15 4.81 -1.26 -3.62 118.16 119.88 2kgl n LYS 15 Ca -0.02 -2.34 -0.13 0.00 -0.87 0.00 0.00 58.31 54.95 2kgl n LYS 15 Cb 0.06 -2.05 -0.10 0.00 0.02 0.00 0.00 35.03 32.97 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kgl h ASP 16 N 2.61 0.00 -4.97 3.14 5.19 -1.88 -3.51 116.42 117.01 2kgl h ASP 16 Ca 0.08 -0.62 0.01 0.00 -0.62 0.00 0.00 57.03 55.88 2kgl h ASP 16 Cb 1.75 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 41.13 2kgl h ASP 16 CO 0.45 1.04 -1.58 -0.38 -3.12 0.00 0.00 179.24 175.64 2kgl n ILE 17 N -4.59-13.07 -1.67 0.35 5.41 -1.26 -4.52 119.36 100.02 2kgl n ILE 17 Ca -0.14 2.85 -0.49 0.00 1.00 0.00 0.00 62.75 65.97 2kgl n ILE 17 Cb 0.44 -6.56 -0.05 0.00 -0.71 0.00 0.00 39.64 32.77 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kgl n ARG 18 N 1.73 2.07 -1.33 0.38 3.00 -1.26 0.05 116.66 121.29 2kgl n ARG 18 Ca -0.41 0.74 -0.11 0.00 -0.01 0.00 0.00 57.85 58.06 2kgl n ARG 18 Cb 0.63 -2.64 -0.05 0.00 0.00 0.00 0.00 32.46 30.40 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 7.06 -5.39 -2.86 0.55 -0.08 -1.26 -0.09 116.55 114.47 2kgl n ASP 19 Ca 0.24 0.28 -0.16 0.00 -1.51 0.00 0.00 54.79 53.65 2kgl n ASP 19 Cb 0.29 -3.90 -0.01 0.00 2.34 0.00 0.00 41.12 39.84 2kgl n ASP 19 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kgl n TYR 20 N -2.33 -1.64 0.00 -0.67 4.02 0.11 -4.09 117.16 112.55 2kgl n TYR 20 Ca -0.11 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2kgl n TYR 20 Cb 0.55 -2.62 0.00 0.00 -0.02 0.00 0.00 39.34 37.25 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kgl n ASN 21 N -1.98 0.00 0.34 7.72 5.15 -1.01 -4.93 115.26 120.55 2kgl n ASN 21 Ca -0.07 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.13 2kgl n ASN 21 Cb 0.57 0.00 1.15 0.00 -0.53 0.00 0.00 39.78 40.97 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kgl h ASP 22 N 0.00 0.00 -0.12 1.20 1.82 -0.65 -2.86 116.42 115.82 2kgl h ASP 22 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 2kgl h ASP 22 Cb 0.00 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 39.94 2kgl h ASP 22 CO 0.00 0.00 -0.44 0.00 -1.61 0.00 0.00 179.24 177.19 2kgl h ALA 23 N 1.87 -0.64 -0.97 -0.78 0.00 -1.84 0.25 119.26 117.14 2kgl h ALA 23 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kgl h ALA 23 Cb 0.13 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2kgl h ALA 23 CO 0.00 -0.95 0.63 0.38 0.00 0.00 0.00 179.25 179.31 2kgl h ASP 24 N -0.51 1.07 -0.71 0.00 3.04 -1.83 -2.27 116.42 115.20 2kgl h ASP 24 Ca 0.07 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.84 2kgl h ASP 24 Cb 0.64 -0.25 -0.03 0.00 -1.04 0.00 0.00 39.33 38.65 2kgl h ASP 24 CO -0.40 0.74 0.44 -0.03 -2.04 0.00 0.00 179.24 177.96 2kgl h MET 25 N 1.25 0.95 -1.00 4.15 4.05 -1.35 -2.37 114.93 120.62 2kgl h MET 25 Ca 0.38 -0.08 0.19 0.00 -0.28 0.00 0.00 59.70 59.91 2kgl h MET 25 Cb -0.03 -0.20 -0.10 0.00 -0.80 0.00 0.00 31.60 30.46 2kgl h MET 25 CO -0.11 0.66 0.61 0.00 0.23 0.00 0.00 176.91 178.30 2kgl h ALA 26 N 1.24 1.75 -0.97 0.39 0.00 0.05 0.69 119.26 122.41 2kgl h ALA 26 Ca 0.26 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.37 2kgl h ALA 26 Cb -0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 2kgl h ALA 26 CO -0.05 -0.11 0.62 0.00 0.00 0.00 0.00 179.25 179.70 2kgl h ARG 27 N 0.72 0.86 -0.98 0.00 -0.00 -1.37 0.14 114.38 113.76 2kgl h ARG 27 Ca 0.57 -0.05 0.27 0.00 -0.50 0.00 0.00 59.98 60.26 2kgl h ARG 27 Cb 0.94 -0.20 -0.05 0.00 0.00 0.00 0.00 29.97 30.66 2kgl h ARG 27 CO -0.35 0.57 0.68 -0.07 0.00 0.00 0.00 179.97 180.80 2kgl h LEU 28 N 0.89 0.16 -1.01 3.04 3.38 -0.93 0.26 115.31 121.10 2kgl h LEU 28 Ca 0.49 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.48 2kgl h LEU 28 Cb 0.59 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2kgl h LEU 28 CO -0.26 0.05 0.51 0.25 0.09 0.00 0.00 178.44 179.08 2kgl h LEU 29 N 0.15 1.06 -1.64 1.67 5.85 -1.06 -1.28 115.31 120.06 2kgl h LEU 29 Ca 0.49 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 2kgl h LEU 29 Cb 1.67 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 2kgl h LEU 29 CO -0.09 0.83 -0.08 1.05 -0.34 0.00 0.00 178.44 179.80 2kgl h GLU 30 N 1.21 0.00 -1.00 1.25 4.11 -0.58 -3.00 114.58 116.57 2kgl h GLU 30 Ca 0.31 0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.93 2kgl h GLU 30 Cb -0.03 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 2kgl h GLU 30 CO -0.06 0.08 0.61 0.37 0.07 0.00 0.00 179.01 180.09 2kgl h GLN 31 N 0.00 0.72 -0.21 1.06 4.15 -1.09 0.15 115.11 119.88 2kgl h GLN 31 Ca -0.00 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 2kgl h GLN 31 Cb 0.48 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2kgl h GLN 31 CO 0.01 0.48 -0.50 -1.49 -1.93 0.00 0.00 178.83 175.39 2kgl h TRP 32 N 0.74 0.73 0.00 3.99 -0.00 -1.65 -2.98 115.95 116.77 2kgl h TRP 32 Ca 0.57 -0.24 -0.10 0.00 -0.00 0.00 0.00 58.89 59.12 2kgl h TRP 32 Cb 0.92 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 2kgl h TRP 32 CO -0.00 0.97 -0.46 0.93 -0.00 0.00 0.00 178.44 179.88 2kgl h GLU 33 N 0.46 0.00 0.00 0.49 3.07 -0.95 -2.69 114.58 114.96 2kgl h GLU 33 Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2kgl h GLU 33 Cb 1.04 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2kgl h GLU 33 CO 0.10 0.46 -0.12 1.57 -1.40 0.00 0.00 179.01 179.62 2kgl h LYS 34 N 0.00 0.00 -0.57 2.33 5.09 -0.71 -1.45 116.57 121.26 2kgl h LYS 34 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 60.65 60.78 2kgl h LYS 34 Cb 0.88 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.17 2kgl h LYS 34 CO 0.06 0.12 0.31 0.22 -2.09 0.00 0.00 179.45 178.06 2kgl h ASP 35 N 0.00 0.46 0.23 7.07 1.82 -1.43 0.27 116.42 124.84 2kgl h ASP 35 Ca -0.00 0.02 -0.34 0.00 -0.39 0.00 0.00 57.03 56.32 2kgl h ASP 35 Cb 0.60 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 2kgl h ASP 35 CO 0.02 0.31 -1.95 -0.67 -1.61 0.00 0.00 179.24 175.34 2kgl n ASP 36 N -4.83 1.67 0.00 2.28 -0.08 -1.16 -4.59 116.55 109.84 2kgl n ASP 36 Ca 0.06 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 2kgl n ASP 36 Cb 0.14 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.06 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kgl n ASP 37 N -3.32 0.00 -2.46 1.67 2.03 -0.56 -5.04 116.55 108.88 2kgl n ASP 37 Ca -0.28 0.70 -0.01 0.00 0.52 0.00 0.00 54.79 55.72 2kgl n ASP 37 Cb 1.05 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.99 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2kgl n ILE 38 N -1.87-10.28 0.00 5.18 5.41 0.93 -5.04 119.36 113.69 2kgl n ILE 38 Ca 0.00 1.63 0.00 0.00 1.00 0.00 0.00 62.75 65.38 2kgl n ILE 38 Cb 0.00 -6.31 0.00 0.00 -0.71 0.00 0.00 39.64 32.62 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kgl n GLU 39 N 0.71 0.00 -1.43 0.38 4.07 -1.26 -5.12 120.64 117.99 2kgl n GLU 39 Ca -0.06 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 2kgl n GLU 39 Cb 0.09 -0.38 0.00 0.00 -0.06 0.00 0.00 31.44 31.09 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2kgl n GLU 40 N -2.20 0.00 0.00 5.31 2.13 -1.26 -5.04 120.64 119.58 2kgl n GLU 40 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kgl n GLU 40 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kgl n GLY 41 N 0.00 0.65 3.23 8.31 0.00 -1.23 -4.30 105.19 111.84 2kgl n GLY 41 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kgl n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kgl s ASP 42 N -0.27 6.09 -0.47 1.61 1.11 -1.26 -4.84 116.67 118.65 2kgl s ASP 42 Ca 0.00 -2.72 0.06 0.00 0.18 0.00 0.00 52.55 50.07 2kgl s ASP 42 Cb 0.00 -2.06 0.19 0.00 1.07 0.00 0.00 42.92 42.12 2kgl s ASP 42 CO 0.00 -0.50 0.56 0.18 1.18 0.00 0.00 175.17 176.59 2kgl n LEU 43 N 3.82 -2.00 0.20 1.23 4.77 -1.26 -4.96 117.00 118.79 2kgl n LEU 43 Ca 0.10 -3.64 0.06 0.00 -0.03 0.00 0.00 56.01 52.50 2kgl n LEU 43 Cb 0.43 0.67 0.40 0.00 -2.33 0.00 0.00 43.42 42.59 2kgl n LEU 43 CO 0.34 1.91 0.73 1.55 -1.33 0.00 0.00 177.39 180.60 2kgl h PRO 44 N 5.18 0.00 -5.54 3.23 0.13 -1.92 -3.40 132.00 129.69 2kgl h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kgl h PRO 44 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2kgl h PRO 44 CO 0.20 0.34 -1.00 0.39 -0.23 0.00 0.00 178.00 177.70 2kgl n GLU 45 N -3.70 -2.51 -0.16 0.86 4.71 -1.26 -4.62 120.64 113.97 2kgl n GLU 45 Ca -0.01 2.17 -0.02 0.00 -0.01 0.00 0.00 57.16 59.29 2kgl n GLU 45 Cb 0.44 -3.95 0.06 0.00 -1.01 0.00 0.00 31.44 26.98 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 0.09 0.00 0.00 177.13 178.34 2kgl h HIS 46 N 3.29 -0.05 0.00 -0.32 2.07 -1.94 -3.43 115.15 114.77 2kgl h HIS 46 Ca -0.02 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2kgl h HIS 46 Cb 0.35 0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.43 2kgl h HIS 46 CO 0.01 -0.12 0.00 1.63 -3.07 0.00 0.00 177.93 176.38 2kgl n LYS 47 N -5.24 0.00 -3.30 5.12 5.02 -1.26 -4.95 118.16 113.55 2kgl n LYS 47 Ca 0.05 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.20 2kgl n LYS 47 Cb 0.27 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.28 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2kgl n ARG 48 N -1.77 -1.68 -2.21 1.97 3.00 -1.26 -4.62 116.66 110.09 2kgl n ARG 48 Ca 0.00 1.39 -0.42 0.00 -0.00 0.00 0.00 57.85 58.82 2kgl n ARG 48 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 32.46 28.25 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kgl s PRO 49 N -3.42 4.35 -0.06 -0.14 0.04 -1.26 -4.86 135.00 129.65 2kgl s PRO 49 Ca 0.10 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2kgl s PRO 49 Cb -0.02 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2kgl s PRO 49 CO 0.82 -0.36 -0.07 -1.54 0.04 0.00 0.00 177.00 175.88 2kgl s SER 50 N 0.86 4.63 0.30 6.66 1.04 -1.26 -5.13 113.70 120.80 2kgl s SER 50 Ca 0.62 -0.03 0.11 0.00 0.48 0.00 0.00 55.95 57.13 2kgl s SER 50 Cb -0.36 -1.15 -0.05 0.00 0.10 0.00 0.00 66.02 64.55 2kgl s SER 50 CO 0.33 0.36 -0.17 0.00 0.98 0.00 0.00 173.24 174.74 2kgl s ALA 51 N -0.82 2.81 -0.29 5.32 0.00 -1.26 -4.58 121.76 122.94 2kgl s ALA 51 Ca 0.13 -1.93 -0.29 0.00 0.00 0.00 0.00 51.96 49.87 2kgl s ALA 51 Cb -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2kgl s ALA 51 CO 0.02 0.23 1.65 -1.25 0.00 0.00 0.00 175.76 176.41 2kgl s PRO 52 N -3.54 3.59 -0.38 0.00 0.04 -1.26 -4.89 135.00 128.55 2kgl s PRO 52 Ca 0.31 1.47 0.11 0.00 0.04 0.00 0.00 61.00 62.93 2kgl s PRO 52 Cb -0.03 -4.09 0.34 0.00 0.04 0.00 0.00 34.50 30.75 2kgl s PRO 52 CO 0.15 -1.54 0.77 0.44 0.04 0.00 0.00 177.00 176.86 2kgl n ILE 53 N 6.89 -0.18 -4.78 0.56 -5.35 -1.26 -5.07 119.36 110.17 2kgl n ILE 53 Ca 0.20 -4.10 -0.34 0.00 -0.27 0.00 0.00 62.75 58.24 2kgl n ILE 53 Cb 0.46 -0.10 -0.07 0.00 -1.74 0.00 0.00 39.64 38.19 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2kgl n ASP 54 N 0.37 3.45 -0.13 7.28 5.75 -1.26 -4.91 116.55 127.11 2kgl n ASP 54 Ca 0.22 -3.30 -0.18 0.00 -0.01 0.00 0.00 54.79 51.51 2kgl n ASP 54 Cb 0.66 0.37 -0.12 0.00 -1.03 0.00 0.00 41.12 41.00 2kgl n ASP 54 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2kgl n PHE 55 N -1.31 0.00 -3.75 2.11 3.72 -1.26 -5.03 117.46 111.94 2kgl n PHE 55 Ca -0.22 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.84 2kgl n PHE 55 Cb 0.66 -0.97 0.04 0.00 -0.94 0.00 0.00 39.48 38.27 2kgl n PHE 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2kgl n SER 56 N -3.32 -5.15 -0.71 4.37 3.41 -1.22 -4.90 113.62 106.10 2kgl n SER 56 Ca -0.45 -1.07 0.05 0.00 -0.26 0.00 0.00 58.87 57.14 2kgl n SER 56 Cb 0.97 -3.07 0.10 0.00 -0.26 0.00 0.00 64.21 61.94 2kgl n SER 56 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kgl n LYS 57 N -4.34 0.74 0.00 4.33 4.76 -1.26 -4.89 118.16 117.49 2kgl n LYS 57 Ca -0.09 -2.29 0.00 0.00 -2.87 0.00 0.00 58.31 53.06 2kgl n LYS 57 Cb 0.58 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kgl n LEU 58 N -0.50 0.71 -4.93 -0.35 7.99 -1.26 -5.01 117.00 113.65 2kgl n LEU 58 Ca 0.11 0.13 -0.21 0.00 -0.01 0.00 0.00 56.01 56.03 2kgl n LEU 58 Cb 0.81 -0.26 -0.02 0.00 -0.11 0.00 0.00 43.42 43.83 2kgl n LEU 58 CO -0.02 -0.26 -0.06 -1.81 -1.51 0.00 0.00 177.39 173.72 2kgl s ASP 59 N -2.31 6.07 0.00 -1.43 1.11 -1.26 -5.05 116.67 113.81 2kgl s ASP 59 Ca 0.00 -0.04 -0.24 0.00 0.18 0.00 0.00 52.55 52.45 2kgl s ASP 59 Cb 0.00 -1.68 -0.18 0.00 1.07 0.00 0.00 42.92 42.13 2kgl s ASP 59 CO 0.00 -0.10 1.30 1.55 1.18 0.00 0.00 175.17 179.10 2kgl h PRO 60 N 1.23 0.14 0.00 8.23 0.13 -1.97 -3.49 132.00 136.27 2kgl h PRO 60 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2kgl h PRO 60 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kgl h PRO 60 CO 0.60 0.58 0.00 0.41 -0.23 0.00 0.00 178.00 179.37 2kgl n GLY 61 N 0.21 4.84 3.42 1.56 0.00 -1.26 -5.15 105.19 108.81 2kgl n GLY 61 Ca -0.08 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2kgl n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 62 N 4.44 1.18 1.11 1.61 0.00 -1.26 -5.07 119.74 121.75 2kgl s LYS 62 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 55.97 55.48 2kgl s LYS 62 Cb 0.00 0.54 0.24 0.00 0.00 0.00 0.00 37.83 38.61 2kgl s LYS 62 CO 0.00 -0.47 1.10 -1.25 0.00 0.00 0.00 175.35 174.73 2kgl s PRO 63 N -3.09 -0.45 0.53 1.78 0.04 -1.26 -4.92 135.00 127.62 2kgl s PRO 63 Ca -0.02 0.21 0.30 0.00 0.04 0.00 0.00 61.00 61.54 2kgl s PRO 63 Cb -0.00 -1.66 1.44 0.00 0.04 0.00 0.00 34.50 34.32 2kgl s PRO 63 CO -0.07 -3.26 2.04 1.49 0.04 0.00 0.00 177.00 177.24 2kgl h GLU 64 N -2.26 0.00 0.00 4.56 4.57 -2.02 -2.44 114.58 116.98 2kgl h GLU 64 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 2kgl h GLU 64 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 2kgl h GLU 64 CO 0.46 0.10 0.03 1.03 -1.18 0.00 0.00 179.01 179.45 2kgl h SER 65 N 0.00 0.00 -0.00 1.04 0.87 -1.92 -1.19 113.55 112.35 2kgl h SER 65 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kgl h SER 65 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2kgl h SER 65 CO 0.01 0.00 0.06 -0.29 -0.53 0.00 0.00 176.83 176.08 2kgl h ILE 66 N 0.00 0.03 0.00 2.23 6.09 -1.79 -0.88 117.51 123.19 2kgl h ILE 66 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2kgl h ILE 66 Cb 0.05 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.29 2kgl h ILE 66 CO 0.00 0.00 0.01 0.17 -3.07 0.00 0.00 178.15 175.26 2kgl h LEU 67 N 0.00 0.00 -2.32 2.19 8.10 -1.46 -1.51 115.31 120.31 2kgl h LEU 67 Ca 0.00 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.03 2kgl h LEU 67 Cb 0.12 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2kgl h LEU 67 CO -0.00 0.00 0.19 0.11 -4.11 0.00 0.00 178.44 174.63 2kgl h LYS 68 N 0.00 0.00 -0.81 0.17 1.79 -1.39 -1.16 116.57 115.16 2kgl h LYS 68 Ca 0.00 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.63 2kgl h LYS 68 Cb 0.02 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.61 2kgl h LYS 68 CO 0.00 0.00 0.54 0.52 -1.08 0.00 0.00 179.45 179.43 2kgl h MET 69 N 0.00 0.43 -6.84 3.15 2.86 -1.51 -3.45 114.93 109.57 2kgl h MET 69 Ca 0.06 -0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.10 2kgl h MET 69 Cb 0.44 -0.10 -0.33 0.00 0.06 0.00 0.00 31.60 31.68 2kgl h MET 69 CO -0.00 0.29 -0.84 -2.37 1.06 0.00 0.00 176.91 175.05 2kgl n THR 70 N -4.50 -0.15 -2.31 2.22 5.66 -0.44 -3.44 114.28 111.33 2kgl n THR 70 Ca 0.16 -0.08 -0.02 0.00 -3.05 0.00 0.00 64.05 61.06 2kgl n THR 70 Cb 0.57 -0.53 -0.02 0.00 -1.55 0.00 0.00 70.33 68.80 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2kgl n LYS 71 N -3.83 -4.32 0.29 1.09 4.81 -1.26 -4.75 118.16 110.18 2kgl n LYS 71 Ca 0.04 3.25 -0.13 0.00 -0.87 0.00 0.00 58.31 60.60 2kgl n LYS 71 Cb 0.45 -4.37 -0.06 0.00 0.02 0.00 0.00 35.03 31.06 2kgl n LYS 71 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kgl h LYS 72 N 3.66 -0.74 0.00 1.64 1.63 -1.93 -3.48 116.57 117.35 2kgl h LYS 72 Ca -0.24 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2kgl h LYS 72 Cb 0.54 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2kgl h LYS 72 CO 0.00 -0.47 0.00 0.41 -3.45 0.00 0.00 179.45 175.95 2kgl n GLY 73 N -0.31 2.93 3.27 5.01 0.00 -1.26 -5.00 105.19 109.83 2kgl n GLY 73 Ca -0.10 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2kgl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 74 N 0.00 0.59 0.43 1.61 0.00 -1.26 -1.79 119.74 119.32 2kgl s LYS 74 Ca 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 55.97 56.05 2kgl s LYS 74 Cb 0.00 0.27 0.10 0.00 0.00 0.00 0.00 37.83 38.20 2kgl s LYS 74 CO 0.00 -0.13 0.46 0.25 0.00 0.00 0.00 175.35 175.93 2kgl n THR 75 N 1.98 0.00 -3.87 3.79 -2.24 -1.26 -4.70 114.28 107.97 2kgl n THR 75 Ca -0.18 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 2kgl n THR 75 Cb 0.57 -1.40 -0.13 0.00 -2.10 0.00 0.00 70.33 67.27 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kgl s LEU 76 N 0.00 1.84 -0.30 3.22 0.05 -1.26 -4.73 118.68 117.50 2kgl s LEU 76 Ca 0.28 0.01 -0.11 0.00 0.05 0.00 0.00 54.13 54.37 2kgl s LEU 76 Cb -0.02 0.20 0.13 0.00 -2.05 0.00 0.00 46.19 44.46 2kgl s LEU 76 CO 0.21 -0.08 0.69 0.00 -0.55 0.00 0.00 176.35 176.62 2kgl s MET 77 N -0.25 0.55 -0.04 1.48 0.23 -1.20 -3.22 119.30 116.84 2kgl s MET 77 Ca -0.03 1.38 -0.07 0.00 -1.03 0.00 0.00 55.69 55.94 2kgl s MET 77 Cb -0.02 0.83 0.01 0.00 -1.53 0.00 0.00 34.83 34.13 2kgl s MET 77 CO 0.00 -0.19 0.18 -1.64 -2.03 0.00 0.00 175.02 171.34 2kgl s MET 78 N 2.85 0.33 -0.10 3.16 -1.94 -0.93 -1.13 119.30 121.54 2kgl s MET 78 Ca -0.06 0.03 -0.04 0.00 -1.71 0.00 0.00 55.69 53.92 2kgl s MET 78 Cb -0.11 0.15 0.05 0.00 2.01 0.00 0.00 34.83 36.92 2kgl s MET 78 CO -0.19 -0.06 0.17 -0.06 -0.01 0.00 0.00 175.02 174.87 2kgl s PHE 79 N -0.44 -0.20 -0.16 -0.03 0.08 -0.36 -2.55 117.98 114.31 2kgl s PHE 79 Ca -0.05 0.61 -0.13 0.00 0.12 0.00 0.00 56.93 57.48 2kgl s PHE 79 Cb -0.04 -0.25 0.05 0.00 -0.57 0.00 0.00 43.02 42.21 2kgl s PHE 79 CO 0.01 -0.30 0.41 0.54 -0.10 0.00 0.00 175.22 175.78 2kgl s VAL 80 N 2.30 -0.01 -0.38 -0.44 0.11 -1.16 -0.11 120.40 120.71 2kgl s VAL 80 Ca 0.03 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2kgl s VAL 80 Cb -0.12 -0.59 0.16 0.00 -1.53 0.00 0.00 36.38 34.29 2kgl s VAL 80 CO -0.06 0.01 0.32 0.28 -3.33 0.00 0.00 175.10 172.32 2kgl s THR 81 N 0.61 0.04 -0.15 5.04 -1.32 0.59 -1.33 115.64 119.12 2kgl s THR 81 Ca -0.03 -1.83 -0.31 0.00 -1.21 0.00 0.00 61.69 58.30 2kgl s THR 81 Cb -0.05 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.08 2kgl s THR 81 CO -0.04 -0.93 1.08 0.54 -2.21 0.00 0.00 174.62 173.06 2kgl s VAL 82 N 0.79 0.00 -0.55 5.08 0.11 0.24 -1.72 120.40 124.36 2kgl s VAL 82 Ca 0.23 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.02 2kgl s VAL 82 Cb -0.11 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2kgl s VAL 82 CO -0.07 0.00 1.94 -0.55 -3.33 0.00 0.00 175.10 173.09 2kgl s SER 83 N -1.73 5.23 0.00 3.54 0.15 -1.26 -3.16 113.70 116.47 2kgl s SER 83 Ca 0.05 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2kgl s SER 83 Cb -0.01 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2kgl s SER 83 CO -0.04 -2.36 0.00 0.61 1.20 0.00 0.00 173.24 172.65 2kgl n GLY 84 N 5.71 -1.04 3.65 9.45 0.00 -1.26 -4.64 105.19 117.06 2kgl n GLY 84 Ca 0.23 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 2kgl n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kgl s ASN 85 N -1.48 -0.08 -0.93 1.61 3.84 -1.26 -4.50 114.94 112.13 2kgl s ASN 85 Ca 0.00 0.16 -0.24 0.00 0.21 0.00 0.00 52.86 52.98 2kgl s ASN 85 Cb 0.00 0.25 -0.05 0.00 -0.55 0.00 0.00 41.25 40.90 2kgl s ASN 85 CO 0.00 -0.03 1.95 -2.16 -2.79 0.00 0.00 177.10 174.07 2kgl s PRO 86 N 0.15 2.55 0.00 0.43 0.04 -1.26 -4.39 135.00 132.52 2kgl s PRO 86 Ca 0.06 -0.36 0.01 0.00 0.04 0.00 0.00 61.00 60.74 2kgl s PRO 86 Cb -0.05 -5.08 0.02 0.00 0.04 0.00 0.00 34.50 29.43 2kgl s PRO 86 CO -0.15 -3.43 0.69 0.25 0.04 0.00 0.00 177.00 174.41 2kgl n THR 87 N 7.87 0.00 -0.11 1.26 -2.24 -1.26 -4.95 114.28 114.84 2kgl n THR 87 Ca 0.41 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 62.09 2kgl n THR 87 Cb 0.47 0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.92 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kgl h GLU 88 N 0.04 0.26 -0.02 -0.78 -0.00 -1.92 0.25 114.58 112.41 2kgl h GLU 88 Ca -0.13 -0.02 -0.12 0.00 -0.00 0.00 0.00 59.36 59.09 2kgl h GLU 88 Cb 1.17 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.84 2kgl h GLU 88 CO -0.06 0.17 -0.53 0.87 -0.00 0.00 0.00 179.01 179.46 2kgl h LYS 89 N 0.27 0.06 -0.18 1.06 1.57 -1.98 -3.15 116.57 114.22 2kgl h LYS 89 Ca 0.18 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 2kgl h LYS 89 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2kgl h LYS 89 CO -0.19 0.58 -0.22 0.93 -0.57 0.00 0.00 179.45 179.97 2kgl h GLU 90 N 0.04 0.47 -0.45 3.15 4.39 -1.69 -2.99 114.58 117.50 2kgl h GLU 90 Ca -0.00 -0.26 0.09 0.00 0.34 0.00 0.00 59.36 59.53 2kgl h GLU 90 Cb 0.96 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.54 2kgl h GLU 90 CO 0.07 0.84 -0.06 1.79 -1.16 0.00 0.00 179.01 180.50 2kgl h THR 91 N 0.12 0.59 0.00 1.13 1.35 -0.50 0.20 112.91 115.81 2kgl h THR 91 Ca 0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.85 2kgl h THR 91 Cb 0.77 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 2kgl h THR 91 CO 0.05 0.01 -0.08 -0.08 -0.25 0.00 0.00 175.52 175.18 2kgl h GLU 92 N 0.05 0.00 0.00 4.72 4.81 -1.58 -1.15 114.58 121.44 2kgl h GLU 92 Ca 0.22 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 2kgl h GLU 92 Cb 0.34 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2kgl h GLU 92 CO -0.42 0.08 -0.42 1.49 -0.73 0.00 0.00 179.01 179.00 2kgl h GLU 93 N 0.00 0.00 -0.27 1.92 4.57 -0.56 -3.34 114.58 116.90 2kgl h GLU 93 Ca -0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 2kgl h GLU 93 Cb 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 2kgl h GLU 93 CO 0.01 0.37 -0.38 0.82 -1.18 0.00 0.00 179.01 178.66 2kgl h ILE 94 N 0.00 0.19 -0.89 2.32 2.04 0.41 0.82 117.51 122.40 2kgl h ILE 94 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2kgl h ILE 94 Cb 1.30 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 2kgl h ILE 94 CO 0.05 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.75 2kgl h THR 95 N -0.37 1.01 -0.07 -0.27 1.03 -1.69 0.38 112.91 112.94 2kgl h THR 95 Ca 0.12 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 2kgl h THR 95 Cb 0.58 -0.05 -0.00 0.00 -1.07 0.00 0.00 68.15 67.60 2kgl h THR 95 CO -0.47 0.18 0.05 0.28 -0.01 0.00 0.00 175.52 175.55 2kgl h SER 96 N 0.98 0.09 0.55 0.00 0.02 -1.31 -2.56 113.55 111.30 2kgl h SER 96 Ca 0.40 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.23 2kgl h SER 96 Cb 0.24 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2kgl h SER 96 CO -0.20 0.07 -0.53 -0.07 -1.14 0.00 0.00 176.83 174.96 2kgl h LEU 97 N 0.09 0.00 -1.96 5.07 3.38 -0.37 -2.98 115.31 118.55 2kgl h LEU 97 Ca 0.03 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.24 2kgl h LEU 97 Cb -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2kgl h LEU 97 CO -0.01 0.53 0.61 -0.25 0.09 0.00 0.00 178.44 179.41 2kgl h TRP 98 N 0.00 0.05 -0.84 1.13 7.01 0.18 -0.05 115.95 123.43 2kgl h TRP 98 Ca -0.01 0.00 0.15 0.00 2.11 0.00 0.00 58.89 61.15 2kgl h TRP 98 Cb 0.95 -0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 27.90 2kgl h TRP 98 CO 0.00 0.01 0.42 1.96 -2.79 0.00 0.00 178.44 178.04 2kgl h GLN 99 N 0.03 0.58 -0.31 2.65 4.20 -1.50 0.31 115.11 121.07 2kgl h GLN 99 Ca 0.41 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.91 2kgl h GLN 99 Cb 1.59 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 2kgl h GLN 99 CO -0.02 0.38 -0.48 0.78 -0.67 0.00 0.00 178.83 178.82 2kgl h GLY 100 N 0.59 0.92 2.00 3.46 0.00 -1.22 -3.10 103.07 105.73 2kgl h GLY 100 Ca 0.46 -1.01 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 2kgl h GLY 100 CO -0.37 0.91 -0.50 0.23 0.00 0.00 0.00 176.54 176.81 2kgl h SER 101 N 0.67 0.00 -0.42 0.19 0.87 -1.20 -2.91 113.55 110.75 2kgl h SER 101 Ca 0.03 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2kgl h SER 101 Cb 1.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 2kgl h SER 101 CO 0.11 0.50 0.28 0.25 -0.53 0.00 0.00 176.83 177.43 2kgl h LEU 102 N 0.00 0.43 -2.00 2.23 5.85 -0.36 -1.20 115.31 120.25 2kgl h LEU 102 Ca -0.00 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.83 2kgl h LEU 102 Cb 0.88 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2kgl h LEU 102 CO 0.06 0.30 0.30 0.15 -0.34 0.00 0.00 178.44 178.92 2kgl h PHE 103 N 0.50 0.00 0.00 1.25 3.57 -1.55 0.25 116.94 120.96 2kgl h PHE 103 Ca 0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2kgl h PHE 103 Cb 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2kgl h PHE 103 CO -0.00 0.00 -0.04 -0.91 -2.23 0.00 0.00 178.31 175.13 2kgl h ASN 104 N 0.00 0.00 -1.12 0.41 -0.26 -1.38 -3.46 115.58 109.78 2kgl h ASN 104 Ca 0.20 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.59 2kgl h ASN 104 Cb 0.79 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.94 2kgl h ASN 104 CO -0.00 0.04 -0.34 0.00 -1.06 0.00 0.00 177.43 176.08 2kgl n ALA 105 N -2.14 -0.30 -2.33 -0.83 0.00 0.87 -3.44 120.51 112.35 2kgl n ALA 105 Ca -0.01 0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 2kgl n ALA 105 Cb 0.24 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 2kgl n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgl n ASN 106 N -0.81 0.01 -4.31 0.00 4.05 -1.26 -4.27 115.26 108.66 2kgl n ASN 106 Ca -0.17 -2.02 -0.33 0.00 0.45 0.00 0.00 54.58 52.51 2kgl n ASN 106 Cb 0.57 0.02 0.15 0.00 1.23 0.00 0.00 39.78 41.75 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kgl n TYR 107 N 0.05 -1.48 -3.66 1.20 0.18 -1.26 -3.50 117.16 108.68 2kgl n TYR 107 Ca -0.10 0.17 -0.10 0.00 1.88 0.00 0.00 57.90 59.74 2kgl n TYR 107 Cb 0.91 -1.62 -0.11 0.00 -0.38 0.00 0.00 39.34 38.14 2kgl n TYR 107 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2kgl s ASP 108 N -1.87 -0.01 -0.16 9.48 1.11 -1.16 -4.79 116.67 119.27 2kgl s ASP 108 Ca 0.56 0.83 -0.07 0.00 0.18 0.00 0.00 52.55 54.05 2kgl s ASP 108 Cb -0.14 1.09 0.06 0.00 1.07 0.00 0.00 42.92 45.00 2kgl s ASP 108 CO 0.67 -0.23 0.36 0.54 1.18 0.00 0.00 175.17 177.68 2kgl s VAL 109 N 2.53 -0.23 -0.05 -1.27 0.11 -1.26 -2.16 120.40 118.07 2kgl s VAL 109 Ca -0.01 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2kgl s VAL 109 Cb -0.12 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 2kgl s VAL 109 CO -0.11 0.06 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.51 2kgl s GLN 110 N 1.80 1.46 -0.18 1.54 1.11 -0.76 -4.61 119.66 120.02 2kgl s GLN 110 Ca -0.06 -0.37 0.01 0.00 0.01 0.00 0.00 55.36 54.95 2kgl s GLN 110 Cb -0.10 -1.25 0.02 0.00 -1.01 0.00 0.00 33.01 30.67 2kgl s GLN 110 CO -0.11 0.04 -0.20 -0.98 0.01 0.00 0.00 175.29 174.05 2kgl s ARG 111 N 0.57 2.99 0.01 2.91 1.70 -1.24 -2.34 118.95 123.56 2kgl s ARG 111 Ca -0.12 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.33 2kgl s ARG 111 Cb -0.14 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.65 2kgl s ARG 111 CO 0.03 -0.21 -0.04 0.12 -1.08 0.00 0.00 175.30 174.11 2kgl s PHE 112 N 1.29 0.37 -0.15 5.89 5.36 -0.96 -4.63 117.98 125.16 2kgl s PHE 112 Ca 0.05 -0.24 -0.09 0.00 -0.96 0.00 0.00 56.93 55.69 2kgl s PHE 112 Cb -0.13 -0.23 0.05 0.00 -0.34 0.00 0.00 43.02 42.37 2kgl s PHE 112 CO -0.13 -0.05 0.36 0.96 -1.46 0.00 0.00 175.22 174.90 2kgl s ILE 113 N -0.61 -0.02 -0.11 3.12 -5.25 -1.26 -2.10 121.20 114.96 2kgl s ILE 113 Ca -0.04 0.09 -0.01 0.00 -0.99 0.00 0.00 60.65 59.70 2kgl s ILE 113 Cb -0.05 -0.53 0.03 0.00 2.95 0.00 0.00 42.46 44.86 2kgl s ILE 113 CO -0.00 0.04 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.43 2kgl s VAL 114 N 1.13 0.98 0.00 8.37 1.01 -0.93 -5.00 120.40 125.95 2kgl s VAL 114 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2kgl s VAL 114 Cb -0.08 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2kgl s VAL 114 CO -0.09 0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2kgl n GLY 115 N 4.96 0.26 0.00 4.51 0.00 -1.26 -0.47 105.19 113.18 2kgl n GLY 115 Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2kgl n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kgl n SER 116 N 6.34 0.38 -4.79 1.61 3.41 -1.26 -5.03 113.62 114.27 2kgl n SER 116 Ca 0.00 -0.69 -0.36 0.00 -0.26 0.00 0.00 58.87 57.56 2kgl n SER 116 Cb 0.00 0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 2kgl n SER 116 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kgl s ASP 117 N -0.62 7.22 -0.07 4.04 -1.08 0.38 -4.34 116.67 122.19 2kgl s ASP 117 Ca 0.00 1.69 -0.01 0.00 -0.52 0.00 0.00 52.55 53.71 2kgl s ASP 117 Cb 0.00 -2.53 0.03 0.00 -1.46 0.00 0.00 42.92 38.96 2kgl s ASP 117 CO 0.00 -0.06 0.00 -0.13 0.52 0.00 0.00 175.17 175.50 2kgl s ARG 118 N -2.13 0.62 -0.01 4.34 1.81 -1.19 -2.19 118.95 120.19 2kgl s ARG 118 Ca 0.49 0.10 0.03 0.00 -1.72 0.00 0.00 55.73 54.63 2kgl s ARG 118 Cb -0.17 -0.98 -0.01 0.00 -0.45 0.00 0.00 34.95 33.34 2kgl s ARG 118 CO 0.22 -0.30 -0.10 0.00 -0.68 0.00 0.00 175.30 174.44 2kgl s ALA 119 N 1.97 0.82 -0.11 2.13 0.00 -0.89 -0.59 121.76 125.08 2kgl s ALA 119 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 51.96 51.48 2kgl s ALA 119 Cb -0.12 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2kgl s ALA 119 CO -0.05 0.19 0.36 -1.50 0.00 0.00 0.00 175.76 174.75 2kgl s ILE 120 N -0.14 0.01 -0.11 0.00 2.07 -0.44 -2.27 121.20 120.32 2kgl s ILE 120 Ca 0.02 -0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.15 2kgl s ILE 120 Cb -0.05 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 42.03 2kgl s ILE 120 CO -0.00 -0.06 -0.07 0.12 -1.91 0.00 0.00 174.94 173.02 2kgl s PHE 121 N -0.16 1.45 -0.05 3.50 2.19 -0.99 -3.01 117.98 120.91 2kgl s PHE 121 Ca -0.03 -0.72 0.01 0.00 0.33 0.00 0.00 56.93 56.52 2kgl s PHE 121 Cb -0.03 -1.22 0.02 0.00 -1.31 0.00 0.00 43.02 40.48 2kgl s PHE 121 CO 0.01 -0.51 -0.06 1.41 1.83 0.00 0.00 175.22 177.91 2kgl s MET 122 N 1.72 1.01 -0.10 10.12 -2.45 -1.06 -1.82 119.30 126.73 2kgl s MET 122 Ca 0.05 -0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.19 2kgl s MET 122 Cb -0.13 -0.99 0.03 0.00 1.25 0.00 0.00 34.83 35.00 2kgl s MET 122 CO -0.08 -0.09 0.36 -1.17 1.05 0.00 0.00 175.02 175.10 2kgl s LEU 123 N 0.99 0.62 0.10 4.11 2.96 -0.92 -2.20 118.68 124.33 2kgl s LEU 123 Ca -0.10 0.54 0.14 0.00 -0.22 0.00 0.00 54.13 54.49 2kgl s LEU 123 Cb -0.14 1.32 0.62 0.00 0.50 0.00 0.00 46.19 48.50 2kgl s LEU 123 CO -0.00 -0.25 1.44 -2.11 -1.32 0.00 0.00 176.35 174.11 2kgl n ARG 124 N 2.29 0.06 -0.36 1.98 -4.01 -1.20 -3.01 116.66 112.41 2kgl n ARG 124 Ca -0.16 0.39 -0.03 0.00 -1.04 0.00 0.00 57.85 57.01 2kgl n ARG 124 Cb 0.57 -1.64 0.02 0.00 -3.04 0.00 0.00 32.46 28.37 2kgl n ARG 124 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2kgl n ASP 125 N -1.76 0.04 0.00 2.89 -0.08 -1.26 -4.56 116.55 111.82 2kgl n ASP 125 Ca 0.02 -1.07 0.00 0.00 -1.51 0.00 0.00 54.79 52.23 2kgl n ASP 125 Cb 0.13 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.48 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kgl n GLY 126 N 4.02 0.66 0.26 0.27 0.00 -1.23 -3.37 105.19 105.80 2kgl n GLY 126 Ca 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2kgl n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 127 N 0.00 0.05 -0.38 1.61 0.02 -1.95 -1.85 113.55 111.05 2kgl h SER 127 Ca 0.00 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 2kgl h SER 127 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2kgl h SER 127 CO 0.00 0.09 -0.21 1.88 -1.14 0.00 0.00 176.83 177.45 2kgl h TYR 128 N 0.06 1.00 -0.27 3.45 -1.99 -1.98 -2.94 116.97 114.31 2kgl h TYR 128 Ca 0.02 -0.23 -0.15 0.00 2.00 0.00 0.00 58.73 60.37 2kgl h TYR 128 Cb 0.09 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 2kgl h TYR 128 CO 0.00 1.00 -0.44 0.00 -0.00 0.00 0.00 178.16 178.73 2kgl h ALA 129 N 0.99 0.73 -0.25 3.88 0.00 -1.65 -2.93 119.26 120.03 2kgl h ALA 129 Ca 0.10 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2kgl h ALA 129 Cb 0.75 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2kgl h ALA 129 CO 0.06 0.66 0.07 2.35 0.00 0.00 0.00 179.25 182.40 2kgl h TRP 130 N 0.54 0.12 0.46 0.00 -0.00 -1.29 0.24 115.95 116.03 2kgl h TRP 130 Ca 0.04 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.92 2kgl h TRP 130 Cb 0.98 -0.02 0.00 0.00 -0.00 0.00 0.00 29.16 30.12 2kgl h TRP 130 CO 0.05 0.05 -0.25 1.49 -0.00 0.00 0.00 178.44 179.78 2kgl h GLU 131 N 0.18 -0.63 -0.02 2.65 4.81 -1.51 -2.41 114.58 117.65 2kgl h GLU 131 Ca 0.11 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2kgl h GLU 131 Cb 0.09 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kgl h GLU 131 CO -0.13 -0.42 0.01 0.82 -0.73 0.00 0.00 179.01 178.56 2kgl h ILE 132 N -0.66 0.98 0.07 2.32 1.08 -1.36 -3.06 117.51 116.89 2kgl h ILE 132 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2kgl h ILE 132 Cb 0.52 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 2kgl h ILE 132 CO 0.08 0.00 -0.20 0.50 -0.69 0.00 0.00 178.15 177.85 2kgl h LYS 133 N 0.00 -0.29 -0.84 2.37 3.11 0.01 0.27 116.57 121.20 2kgl h LYS 133 Ca 0.01 0.02 0.22 0.00 -2.81 0.00 0.00 60.65 58.08 2kgl h LYS 133 Cb 0.04 0.07 -0.05 0.00 -1.00 0.00 0.00 32.23 31.29 2kgl h LYS 133 CO -0.00 -0.19 0.58 0.22 -2.81 0.00 0.00 179.45 177.25 2kgl h ASP 134 N -0.30 0.19 0.07 4.20 1.82 -1.47 0.25 116.42 121.18 2kgl h ASP 134 Ca -0.01 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.52 2kgl h ASP 134 Cb 0.29 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.28 2kgl h ASP 134 CO -0.09 0.08 -0.46 0.15 -1.61 0.00 0.00 179.24 177.31 2kgl h PHE 135 N 0.19 0.56 0.34 0.28 3.57 -1.18 -2.32 116.94 118.38 2kgl h PHE 135 Ca 0.42 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 2kgl h PHE 135 Cb 1.34 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2kgl h PHE 135 CO -0.00 0.84 -0.16 1.25 -2.23 0.00 0.00 178.31 178.01 2kgl h LEU 136 N 0.38 -0.39 -1.99 0.59 7.12 0.30 -3.19 115.31 118.13 2kgl h LEU 136 Ca 0.02 0.01 0.24 0.00 0.13 0.00 0.00 57.88 58.29 2kgl h LEU 136 Cb 0.95 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.14 2kgl h LEU 136 CO 0.08 -0.15 0.61 1.62 -0.13 0.00 0.00 178.44 180.47 2kgl h VAL 137 N -0.72 0.58 -0.67 1.05 3.04 -1.51 0.16 116.25 118.17 2kgl h VAL 137 Ca -0.05 -0.00 0.10 0.00 -1.01 0.00 0.00 66.70 65.75 2kgl h VAL 137 Cb 0.35 0.57 -0.04 0.00 -2.01 0.00 0.00 31.29 30.16 2kgl h VAL 137 CO 0.08 0.00 0.45 -1.28 -1.01 0.00 0.00 177.57 175.81 2kgl h SER 138 N 0.01 0.45 0.28 3.17 0.87 -1.40 -2.63 113.55 114.30 2kgl h SER 138 Ca 0.40 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 2kgl h SER 138 Cb 1.60 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2kgl h SER 138 CO -0.01 0.27 -0.13 -0.61 -0.53 0.00 0.00 176.83 175.81 2kgl h GLN 139 N 0.50 -0.36 -4.86 2.24 5.75 -0.72 -3.45 115.11 114.20 2kgl h GLN 139 Ca 0.31 0.02 -0.33 0.00 -0.15 0.00 0.00 58.65 58.51 2kgl h GLN 139 Cb 0.56 0.08 0.11 0.00 1.07 0.00 0.00 27.48 29.30 2kgl h GLN 139 CO -0.10 -0.02 -0.56 -3.47 -2.65 0.00 0.00 178.83 172.04 2kgl n ASP 140 N -5.06 -5.62 -2.04 -0.69 2.03 -0.99 -4.85 116.55 99.32 2kgl n ASP 140 Ca -0.09 -0.42 -0.01 0.00 0.52 0.00 0.00 54.79 54.79 2kgl n ASP 140 Cb 0.26 -4.26 -0.01 0.00 -0.72 0.00 0.00 41.12 36.40 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kgl n ARG 141 N -4.15 0.11 -3.94 -0.67 0.63 -0.70 -4.82 116.66 103.12 2kgl n ARG 141 Ca -0.01 -0.31 -0.11 0.00 -0.92 0.00 0.00 57.85 56.50 2kgl n ARG 141 Cb 0.56 0.02 -0.13 0.00 0.45 0.00 0.00 32.46 33.36 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl s ALA 143 N -0.74 0.40 -0.07 0.00 0.00 -1.26 -0.30 121.76 119.79 2kgl s ALA 143 Ca -0.08 0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 2kgl s ALA 143 Cb -0.05 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.43 2kgl s ALA 143 CO -0.00 -0.48 0.35 -1.21 0.00 0.00 0.00 175.76 174.41 2kgl s GLU 144 N 2.10 0.57 -0.16 0.00 8.01 0.85 -3.57 118.70 126.50 2kgl s GLU 144 Ca 0.05 0.16 -0.08 0.00 0.01 0.00 0.00 54.97 55.11 2kgl s GLU 144 Cb -0.12 0.26 0.06 0.00 -4.31 0.00 0.00 34.13 30.02 2kgl s GLU 144 CO -0.04 -0.13 0.37 0.54 0.01 0.00 0.00 175.26 176.01 2kgl s VAL 145 N -0.59 -0.15 -0.19 2.63 0.11 -1.26 -1.23 120.40 119.72 2kgl s VAL 145 Ca -0.07 0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2kgl s VAL 145 Cb -0.04 -0.56 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2kgl s VAL 145 CO 0.03 0.05 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.78 2kgl s THR 146 N 1.63 2.10 -0.18 5.04 2.01 -0.28 -4.42 115.64 121.53 2kgl s THR 146 Ca -0.08 -1.02 -0.06 0.00 0.31 0.00 0.00 61.69 60.84 2kgl s THR 146 Cb -0.10 -1.93 0.09 0.00 0.01 0.00 0.00 72.50 70.57 2kgl s THR 146 CO -0.12 0.46 0.39 -0.22 -0.69 0.00 0.00 174.62 174.44 2kgl s LEU 147 N 1.27 -0.58 -0.11 4.42 1.98 -1.26 -3.27 118.68 121.13 2kgl s LEU 147 Ca 0.03 0.91 -0.26 0.00 -2.89 0.00 0.00 54.13 51.91 2kgl s LEU 147 Cb -0.14 1.22 0.06 0.00 0.66 0.00 0.00 46.19 47.99 2kgl s LEU 147 CO -0.12 -0.23 0.62 -0.70 -1.89 0.00 0.00 176.35 174.03 2kgl s GLU 148 N 2.57 0.91 -1.02 1.98 2.56 -1.26 -4.74 118.70 119.70 2kgl s GLU 148 Ca -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 54.97 55.33 2kgl s GLU 148 Cb -0.12 0.43 0.27 0.00 2.00 0.00 0.00 34.13 36.71 2kgl s GLU 148 CO -0.12 -0.23 1.12 0.41 -0.56 0.00 0.00 175.26 175.88 2kgl n GLY 149 N 1.55 4.52 0.00 -1.50 0.00 -1.26 -4.68 105.19 103.83 2kgl n GLY 149 Ca -0.18 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.22 2kgl n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kgl n GLN 150 N 2.05 0.00 0.00 1.61 1.13 -1.26 -5.00 117.38 115.91 2kgl n GLN 150 Ca 0.25 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2kgl n GLN 150 Cb 0.37 -0.93 0.00 0.00 0.11 0.00 0.00 30.24 29.79 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2kgl n MET 151 N -0.59 0.00 -3.39 -1.09 0.00 -1.23 -5.06 117.12 105.76 2kgl n MET 151 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.26 2kgl n MET 151 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.16 2kgl n MET 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2kgl s TYR 152 N 0.00 3.30 0.00 1.12 1.51 -1.18 -4.77 117.35 117.32 2kgl s TYR 152 Ca 0.00 -1.39 0.00 0.00 -1.01 0.00 0.00 57.07 54.67 2kgl s TYR 152 Cb 0.00 -3.60 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 2kgl s TYR 152 CO 0.00 -0.97 0.00 -0.35 -1.11 0.00 0.00 175.55 173.12 2kgl n PRO 153 N 5.15 -0.22 0.03 -1.71 -0.04 -0.74 -4.46 135.00 133.01 2kgl n PRO 153 Ca -0.12 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2kgl n PRO 153 Cb 0.41 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.79 2kgl n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 154 N 2.42 -1.20 0.44 0.55 0.00 -1.26 -4.04 105.19 102.10 2kgl n GLY 154 Ca 0.00 -0.12 0.25 0.00 0.00 0.00 0.00 46.02 46.15 2kgl n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgl h LYS 155 N 0.00 0.16 0.00 1.61 1.57 -1.95 -3.40 116.57 114.57 2kgl h LYS 155 Ca -0.16 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2kgl h LYS 155 Cb 1.58 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.86 2kgl h LYS 155 CO 0.05 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 2kgl n GLY 156 N -1.63 1.91 0.00 3.86 0.00 -1.26 -4.86 105.19 103.22 2kgl n GLY 156 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N -0.51 1.17 0.00 -0.02 0.00 -1.26 -5.06 105.19 99.52 2kgl n GLY 157 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 0.00 1.36 0.19 -0.02 0.00 -1.26 -4.56 105.19 100.90 2kgl n GLY 158 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 2kgl n GLY 158 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 159 N 0.00 -0.38 -4.66 1.61 0.02 -1.96 -3.50 113.55 104.69 2kgl h SER 159 Ca 0.00 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2kgl h SER 159 Cb 0.00 0.10 -0.12 0.00 0.14 0.00 0.00 62.40 62.52 2kgl h SER 159 CO 0.00 -0.12 -1.36 1.17 -1.14 0.00 0.00 176.83 175.39 2kgl n LYS 160 N -4.05 -3.89 -0.00 3.45 4.81 -1.26 -4.91 118.16 112.32 2kgl n LYS 160 Ca -0.06 3.00 -0.04 0.00 -0.87 0.00 0.00 58.31 60.35 2kgl n LYS 160 Cb 0.18 -4.42 -0.01 0.00 0.02 0.00 0.00 35.03 30.79 2kgl n LYS 160 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kgl n GLU 161 N 1.43 0.12 -2.91 1.64 -0.58 -1.26 -4.89 120.64 114.19 2kgl n GLU 161 Ca -0.36 0.05 -0.06 0.00 -0.42 0.00 0.00 57.16 56.37 2kgl n GLU 161 Cb 0.56 -0.71 0.01 0.00 -0.57 0.00 0.00 31.44 30.73 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kgl n LYS 162 N -3.51 -2.50 -3.75 3.49 3.00 -1.25 -5.01 118.16 108.63 2kgl n LYS 162 Ca -0.07 2.14 -0.12 0.00 -0.00 0.00 0.00 58.31 60.26 2kgl n LYS 162 Cb 0.33 -4.32 -0.07 0.00 0.00 0.00 0.00 35.03 30.97 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kgl s ASN 163 N -1.73 -0.13 -0.26 3.14 0.01 -1.26 -5.11 114.94 109.60 2kgl s ASN 163 Ca 0.09 -0.16 -0.20 0.00 -0.71 0.00 0.00 52.86 51.88 2kgl s ASN 163 Cb -0.02 0.36 -0.02 0.00 0.41 0.00 0.00 41.25 41.98 2kgl s ASN 163 CO 0.64 -0.60 0.61 -0.54 -1.51 0.00 0.00 177.10 175.70 2kgl s LYS 164 N -2.44 4.10 -0.38 -0.60 1.02 -1.26 -4.80 119.74 115.38 2kgl s LYS 164 Ca -0.06 0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.46 2kgl s LYS 164 Cb -0.01 -3.65 0.14 0.00 -0.52 0.00 0.00 37.83 33.79 2kgl s LYS 164 CO -0.03 -0.40 0.22 0.95 -0.92 0.00 0.00 175.35 175.17 2kgl s THR 165 N 2.47 0.56 -0.02 2.17 -4.23 -1.26 -5.01 115.64 110.32 2kgl s THR 165 Ca 0.25 -2.01 -0.17 0.00 -1.18 0.00 0.00 61.69 58.58 2kgl s THR 165 Cb -0.16 -1.40 -0.09 0.00 1.34 0.00 0.00 72.50 72.19 2kgl s THR 165 CO 0.09 -0.97 0.74 0.11 -0.54 0.00 0.00 174.62 174.05 2kgl h LYS 166 N 6.88 -0.59 -0.07 3.99 6.56 -1.99 -1.55 116.57 129.79 2kgl h LYS 166 Ca 0.04 0.04 -0.11 0.00 -1.06 0.00 0.00 60.65 59.56 2kgl h LYS 166 Cb 0.95 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.74 2kgl h LYS 166 CO 0.34 -0.40 -0.47 -1.00 -2.06 0.00 0.00 179.45 175.86 2kgl h PRO 167 N -1.09 0.17 0.00 3.15 0.13 -2.02 -2.91 132.00 129.43 2kgl h PRO 167 Ca -0.06 -0.09 -0.08 0.00 -0.87 0.00 0.00 66.00 64.90 2kgl h PRO 167 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2kgl h PRO 167 CO 0.10 0.61 -0.39 0.93 -0.23 0.00 0.00 178.00 179.03 2kgl h GLU 168 N 0.14 0.00 0.14 0.86 3.07 -1.96 -3.12 114.58 113.71 2kgl h GLU 168 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2kgl h GLU 168 Cb 0.89 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 2kgl h GLU 168 CO 0.07 0.39 -0.14 0.87 -1.40 0.00 0.00 179.01 178.80 2kgl h LYS 169 N 0.00 -0.30 -0.17 2.33 1.57 -1.06 -2.49 116.57 116.46 2kgl h LYS 169 Ca -0.00 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2kgl h LYS 169 Cb 1.04 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2kgl h LYS 169 CO 0.05 -0.20 -0.27 0.00 -0.57 0.00 0.00 179.45 178.47 2kgl h ALA 170 N 0.52 1.24 -0.56 3.86 0.00 -1.65 -3.02 119.26 119.65 2kgl h ALA 170 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 54.91 54.70 2kgl h ALA 170 Cb 0.29 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2kgl h ALA 170 CO -0.04 0.50 0.09 -0.22 0.00 0.00 0.00 179.25 179.58 2kgl h LYS 171 N 0.27 0.21 -0.18 0.00 3.64 -1.38 0.48 116.57 119.61 2kgl h LYS 171 Ca 0.04 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2kgl h LYS 171 Cb 0.62 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2kgl h LYS 171 CO 0.04 0.14 -0.25 0.87 -2.27 0.00 0.00 179.45 177.98 2kgl h LYS 172 N 0.21 0.33 0.00 1.90 1.57 -1.38 -2.40 116.57 116.80 2kgl h LYS 172 Ca 0.29 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2kgl h LYS 172 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2kgl h LYS 172 CO -0.40 0.56 -0.26 0.87 -0.57 0.00 0.00 179.45 179.66 2kgl h LYS 173 N 0.29 0.00 -0.13 3.15 1.57 -0.92 -2.83 116.57 117.71 2kgl h LYS 173 Ca 0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 2kgl h LYS 173 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2kgl h LYS 173 CO 0.04 0.26 -0.63 1.49 -0.57 0.00 0.00 179.45 180.04 2kgl h GLU 174 N 0.00 0.45 0.00 3.15 4.57 -0.56 -3.42 114.58 118.78 2kgl h GLU 174 Ca -0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 2kgl h GLU 174 Cb 0.65 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2kgl h GLU 174 CO 0.03 0.93 0.00 0.41 -1.18 0.00 0.00 179.01 179.21 2kgl n GLY 175 N 0.37 2.83 0.31 1.92 0.00 -1.07 -3.33 105.19 106.22 2kgl n GLY 175 Ca -0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2kgl n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kgl h ASP 176 N 0.00 -0.62 -0.18 1.61 5.19 -1.80 -1.15 116.42 119.46 2kgl h ASP 176 Ca 0.00 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.28 2kgl h ASP 176 Cb 0.00 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2kgl h ASP 176 CO 0.00 -0.24 -0.41 1.55 -3.12 0.00 0.00 179.24 177.02 2kgl h PRO 177 N -1.15 0.73 -2.34 3.56 0.13 -1.97 -3.36 132.00 127.59 2kgl h PRO 177 Ca -0.08 -0.38 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2kgl h PRO 177 Cb 0.56 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.31 2kgl h PRO 177 CO 0.12 1.00 -0.84 1.63 -0.23 0.00 0.00 178.00 179.69 2kgl n LYS 178 N -4.03 1.30 -1.10 0.86 5.02 -1.25 -5.11 118.16 113.85 2kgl n LYS 178 Ca -0.02 -3.85 -0.30 0.00 -2.02 0.00 0.00 58.31 52.12 2kgl n LYS 178 Cb 0.54 -1.81 0.23 0.00 -0.02 0.00 0.00 35.03 33.96 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kgl s PRO 179 N -1.31 -0.84 -1.17 1.97 0.04 -0.43 -4.33 135.00 128.92 2kgl s PRO 179 Ca 0.34 0.07 -0.14 0.00 0.04 0.00 0.00 61.00 61.31 2kgl s PRO 179 Cb 0.09 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.99 2kgl s PRO 179 CO -0.12 -3.49 0.77 -2.13 0.04 0.00 0.00 177.00 172.08 2kgl n ARG 180 N -4.63 -2.09 0.00 4.56 0.63 -1.26 -4.84 116.66 109.03 2kgl n ARG 180 Ca 0.11 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 2kgl n ARG 180 Cb 0.59 -4.58 0.00 0.00 0.45 0.00 0.00 32.46 28.92 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl n ALA 181 N -4.06 1.10 -0.35 5.13 0.00 -1.26 -4.91 120.51 116.16 2kgl n ALA 181 Ca -0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2kgl n ALA 181 Cb 0.62 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.37 2kgl n ALA 181 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kgl h SER 182 N 0.00 0.82 -1.01 0.00 4.64 -1.84 0.38 113.55 116.54 2kgl h SER 182 Ca 0.00 0.09 0.18 0.00 -0.47 0.00 0.00 61.79 61.59 2kgl h SER 182 Cb 0.00 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 61.92 2kgl h SER 182 CO 0.00 0.33 0.62 0.50 -0.87 0.00 0.00 176.83 177.40 2kgl h LYS 183 N 0.82 0.77 0.12 4.77 3.64 -1.91 0.52 116.57 125.31 2kgl h LYS 183 Ca 0.56 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 2kgl h LYS 183 Cb 0.81 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2kgl h LYS 183 CO -0.35 0.51 -0.06 0.93 -2.27 0.00 0.00 179.45 178.21 2kgl h GLU 184 N 0.79 -0.16 -0.11 1.90 4.39 -1.29 -2.64 114.58 117.46 2kgl h GLU 184 Ca 0.57 0.01 0.04 0.00 0.34 0.00 0.00 59.36 60.33 2kgl h GLU 184 Cb 0.85 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 2kgl h GLU 184 CO -0.37 0.29 -0.31 -0.44 -1.16 0.00 0.00 179.01 177.02 2kgl h ASP 185 N -0.70 -0.96 -1.00 1.42 3.32 -1.03 0.87 116.42 118.34 2kgl h ASP 185 Ca -0.02 0.14 0.14 0.00 0.02 0.00 0.00 57.03 57.31 2kgl h ASP 185 Cb 0.52 0.40 -0.09 0.00 0.22 0.00 0.00 39.33 40.39 2kgl h ASP 185 CO 0.03 -0.35 0.63 -1.13 -1.72 0.00 0.00 179.24 176.69 2kgl h ASN 186 N -0.40 0.89 0.90 6.45 -1.24 -1.01 0.24 115.58 121.41 2kgl h ASN 186 Ca 0.09 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 2kgl h ASN 186 Cb 0.54 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2kgl h ASN 186 CO -0.33 0.44 -0.18 0.03 -1.29 0.00 0.00 177.43 176.09 2kgl h ARG 187 N 0.94 0.00 0.35 6.67 3.08 -0.83 -3.30 114.38 121.28 2kgl h ARG 187 Ca 0.52 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.55 2kgl h ARG 187 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2kgl h ARG 187 CO -0.29 0.18 -0.17 0.00 -1.07 0.00 0.00 179.97 178.62 2kgl h ALA 188 N 1.82 -1.13 0.00 0.04 0.00 0.19 -3.48 119.26 116.70 2kgl h ALA 188 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kgl h ALA 188 Cb 0.68 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kgl h ALA 188 CO 0.02 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.59 2kgl n GLY 189 N -1.23 0.53 1.28 0.00 0.00 -1.18 -4.47 105.19 100.12 2kgl n GLY 189 Ca -0.06 0.48 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 2kgl n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 190 N 0.00 2.49 -2.53 1.61 7.64 -1.26 -1.01 113.62 120.56 2kgl n SER 190 Ca 0.00 -1.79 -0.00 0.00 1.01 0.00 0.00 58.87 58.09 2kgl n SER 190 Cb 0.00 0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kgl n ARG 191 N -0.45 -2.99 -4.43 1.43 0.63 -1.26 -3.73 116.66 105.86 2kgl n ARG 191 Ca -0.07 2.46 -0.40 0.00 -0.92 0.00 0.00 57.85 58.92 2kgl n ARG 191 Cb 0.23 -4.73 -0.08 0.00 0.45 0.00 0.00 32.46 28.33 2kgl n ARG 191 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2kgl n ARG 192 N 0.60 -0.76 0.08 -0.14 1.85 -1.26 -4.70 116.66 112.34 2kgl n ARG 192 Ca -0.00 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 2kgl n ARG 192 Cb 0.00 -4.40 0.00 0.00 -1.05 0.00 0.00 32.46 27.02 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kgl n GLU 193 N -4.05 0.00 -3.38 2.89 4.07 -1.24 -5.06 120.64 113.87 2kgl n GLU 193 Ca 0.04 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.97 2kgl n GLU 193 Cb 0.48 -0.20 0.08 0.00 -0.06 0.00 0.00 31.44 31.74 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kgl n ASP 194 N -3.31 -3.04 -0.79 4.31 8.00 -0.69 -4.95 116.55 116.07 2kgl n ASP 194 Ca 0.00 -0.56 0.10 0.00 0.71 0.00 0.00 54.79 55.04 2kgl n ASP 194 Cb 0.00 -4.79 0.08 0.00 -0.02 0.00 0.00 41.12 36.39 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70