#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 5.04 0.19 0.00 1.47 -1.26 -4.95 116.67 117.16 2kgl s ASP 2 Ca 0.00 -0.30 -0.04 0.00 1.18 0.00 0.00 52.55 53.39 2kgl s ASP 2 Cb 0.00 -1.17 -0.05 0.00 -0.34 0.00 0.00 42.92 41.36 2kgl s ASP 2 CO 0.00 0.08 0.43 0.42 0.68 0.00 0.00 175.17 176.78 2kgl s THR 3 N -1.73 5.13 0.24 2.11 -4.23 -1.26 -5.06 115.64 110.83 2kgl s THR 3 Ca 0.29 -0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 2kgl s THR 3 Cb -0.10 -3.66 -0.09 0.00 1.34 0.00 0.00 72.50 69.99 2kgl s THR 3 CO 0.20 -0.08 1.28 -2.16 -0.54 0.00 0.00 174.62 173.32 2kgl s PRO 4 N -2.97 4.42 0.00 3.99 0.04 -1.26 -5.01 135.00 134.21 2kgl s PRO 4 Ca 0.42 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.51 2kgl s PRO 4 Cb -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2kgl s PRO 4 CO 0.26 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.55 2kgl n GLY 5 N 1.80 0.47 2.39 0.56 0.00 -1.26 -4.95 105.19 104.20 2kgl n GLY 5 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2kgl n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kgl n GLU 6 N 0.00 -1.45 -0.84 1.61 4.07 -1.26 -4.75 120.64 118.01 2kgl n GLU 6 Ca 0.00 0.95 -0.04 0.00 -0.06 0.00 0.00 57.16 58.01 2kgl n GLU 6 Cb 0.00 -5.44 -0.04 0.00 -0.06 0.00 0.00 31.44 25.90 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kgl n ALA 7 N -1.29 1.52 -1.77 4.31 0.00 -1.26 -5.14 120.51 116.88 2kgl n ALA 7 Ca -0.22 -0.41 -0.39 0.00 0.00 0.00 0.00 53.44 52.43 2kgl n ALA 7 Cb 0.66 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 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 0.00 3.08 0.96 0.00 -1.32 -1.26 -5.02 115.64 112.07 2kgl s THR 8 Ca 0.00 0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 61.28 2kgl s THR 8 Cb 0.01 -3.52 0.16 0.00 -1.51 0.00 0.00 72.50 67.64 2kgl s THR 8 CO -0.00 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.44 2kgl s PRO 9 N -2.25 0.76 0.96 7.08 0.04 -1.26 -5.04 135.00 135.30 2kgl s PRO 9 Ca 0.56 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.13 2kgl s PRO 9 Cb -0.32 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.62 2kgl s PRO 9 CO 0.40 -2.54 1.09 -1.25 0.04 0.00 0.00 177.00 174.75 2kgl s PRO 10 N -4.95 0.73 -1.19 0.56 0.04 -1.26 -4.88 135.00 124.05 2kgl s PRO 10 Ca 0.65 0.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 2kgl s PRO 10 Cb -0.18 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2kgl s PRO 10 CO 0.57 -2.56 1.94 -1.25 0.04 0.00 0.00 177.00 175.74 2kgl s PRO 11 N -4.95 2.49 0.16 0.56 0.04 -1.26 -4.72 135.00 127.32 2kgl s PRO 11 Ca 0.65 -1.17 -0.09 0.00 0.04 0.00 0.00 61.00 60.43 2kgl s PRO 11 Cb -0.18 -5.24 0.01 0.00 0.04 0.00 0.00 34.50 29.12 2kgl s PRO 11 CO 0.57 -4.00 1.49 0.00 0.04 0.00 0.00 177.00 175.11 2kgl h ARG 12 N 9.72 0.85 0.00 4.56 3.08 -2.01 -3.39 114.38 127.19 2kgl h ARG 12 Ca 0.22 -0.46 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 2kgl h ARG 12 Cb 0.94 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.90 2kgl h ARG 12 CO 1.22 1.10 -0.39 1.63 -1.07 0.00 0.00 179.97 182.46 2kgl n LYS 13 N -4.04 0.00 0.06 0.04 5.02 -1.26 -4.88 118.16 113.10 2kgl n LYS 13 Ca -0.02 -0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 55.34 2kgl n LYS 13 Cb 0.55 0.02 -0.03 0.00 -0.02 0.00 0.00 35.03 35.55 2kgl n LYS 13 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kgl h LYS 14 N 0.19 -0.24 -0.64 1.97 3.11 -1.85 -3.29 116.57 115.81 2kgl h LYS 14 Ca -0.20 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2kgl h LYS 14 Cb 1.37 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 2kgl h LYS 14 CO -0.06 -0.08 0.00 1.17 -2.81 0.00 0.00 179.45 177.67 2kgl n LYS 15 N -4.94 3.00 0.02 1.90 4.81 -1.26 -3.95 118.16 117.75 2kgl n LYS 15 Ca -0.04 -1.90 -0.04 0.00 -0.87 0.00 0.00 58.31 55.46 2kgl n LYS 15 Cb 0.14 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.39 2kgl n LYS 15 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kgl h ASP 16 N 2.61 -0.14 -4.99 3.14 1.82 -1.88 -3.50 116.42 113.49 2kgl h ASP 16 Ca 0.00 -0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2kgl h ASP 16 Cb 1.16 0.04 -0.12 0.00 0.68 0.00 0.00 39.33 41.09 2kgl h ASP 16 CO 0.21 0.39 -1.52 -0.38 -1.61 0.00 0.00 179.24 176.32 2kgl n ILE 17 N -4.87-12.90 -1.62 2.25 5.41 -1.26 -4.51 119.36 101.85 2kgl n ILE 17 Ca -0.03 2.83 -0.51 0.00 1.00 0.00 0.00 62.75 66.04 2kgl n ILE 17 Cb 0.11 -6.46 -0.06 0.00 -0.71 0.00 0.00 39.64 32.53 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 1.76 1.63 -1.49 0.38 3.00 -1.26 0.10 116.66 120.78 2kgl n ARG 18 Ca -0.37 0.56 -0.17 0.00 -0.01 0.00 0.00 57.85 57.85 2kgl n ARG 18 Cb 0.58 -2.50 -0.07 0.00 0.00 0.00 0.00 32.46 30.47 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 7.48 -4.64 -2.45 0.55 -0.08 -0.22 -0.09 116.55 117.10 2kgl n ASP 19 Ca 0.29 0.42 -0.09 0.00 -1.51 0.00 0.00 54.79 53.90 2kgl n ASP 19 Cb 0.25 -4.14 -0.00 0.00 2.34 0.00 0.00 41.12 39.56 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 -2.15 -1.56 0.00 -0.67 4.02 0.12 -3.93 117.16 112.99 2kgl n TYR 20 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.72 2kgl n TYR 20 Cb 0.57 -2.30 0.00 0.00 -0.02 0.00 0.00 39.34 37.59 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 -1.71 0.00 0.32 7.72 2.85 -0.71 -4.95 115.26 118.78 2kgl n ASN 21 Ca -0.11 0.00 0.20 0.00 -0.11 0.00 0.00 54.58 54.56 2kgl n ASN 21 Cb 0.58 0.00 1.07 0.00 1.24 0.00 0.00 39.78 42.67 2kgl n ASN 21 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2kgl h ASP 22 N 0.00 0.00 -0.30 1.20 5.19 -0.62 -2.91 116.42 118.98 2kgl h ASP 22 Ca 0.00 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2kgl h ASP 22 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 2kgl h ASP 22 CO 0.00 0.00 -0.46 0.00 -3.12 0.00 0.00 179.24 175.66 2kgl h ALA 23 N 1.87 -0.57 -1.00 3.45 0.00 -1.67 0.60 119.26 121.93 2kgl h ALA 23 Ca 0.00 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.15 2kgl h ALA 23 Cb 0.13 0.91 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 2kgl h ALA 23 CO 0.00 -0.93 0.61 0.38 0.00 0.00 0.00 179.25 179.30 2kgl h ASP 24 N -0.41 0.73 -0.55 0.00 3.04 -1.83 0.25 116.42 117.65 2kgl h ASP 24 Ca 0.10 0.11 -0.03 0.00 -3.24 0.00 0.00 57.03 53.98 2kgl h ASP 24 Cb 0.61 -0.01 -0.03 0.00 -1.04 0.00 0.00 39.33 38.86 2kgl h ASP 24 CO -0.51 0.20 0.25 0.24 -2.04 0.00 0.00 179.24 177.37 2kgl h MET 25 N 0.67 0.84 -0.90 4.15 0.00 -1.08 -2.36 114.93 116.25 2kgl h MET 25 Ca 0.61 -0.12 0.17 0.00 0.00 0.00 0.00 59.70 60.35 2kgl h MET 25 Cb 1.06 -0.15 -0.07 0.00 0.00 0.00 0.00 31.60 32.43 2kgl h MET 25 CO -0.42 0.67 0.58 0.00 0.00 0.00 0.00 176.91 177.75 2kgl h ALA 26 N 1.44 1.93 -0.87 6.32 0.00 0.49 0.22 119.26 128.80 2kgl h ALA 26 Ca 0.20 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2kgl h ALA 26 Cb 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2kgl h ALA 26 CO -0.02 -0.20 0.56 0.00 0.00 0.00 0.00 179.25 179.59 2kgl h ARG 27 N 0.61 0.86 -0.97 0.00 2.47 -1.39 -0.89 114.38 115.06 2kgl h ARG 27 Ca 0.46 -0.05 0.25 0.00 -1.26 0.00 0.00 59.98 59.38 2kgl h ARG 27 Cb 0.87 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.93 2kgl h ARG 27 CO -0.21 0.57 0.66 -0.07 0.56 0.00 0.00 179.97 181.47 2kgl h LEU 28 N 0.88 0.27 -1.16 3.04 3.38 -1.06 0.28 115.31 120.95 2kgl h LEU 28 Ca 0.40 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 2kgl h LEU 28 Cb 0.36 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2kgl h LEU 28 CO -0.16 0.08 0.44 0.25 0.09 0.00 0.00 178.44 179.14 2kgl h LEU 29 N 0.26 0.90 -1.66 1.67 5.85 -1.26 -1.17 115.31 119.90 2kgl h LEU 29 Ca 0.51 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 2kgl h LEU 29 Cb 1.53 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2kgl h LEU 29 CO -0.15 0.70 -0.12 1.05 -0.34 0.00 0.00 178.44 179.58 2kgl h GLU 30 N 1.03 0.00 -0.93 1.25 4.11 -0.55 -2.97 114.58 116.53 2kgl h GLU 30 Ca 0.27 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.87 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 -0.05 0.12 0.53 0.37 0.07 0.00 0.00 179.01 180.05 2kgl h GLN 31 N 0.00 0.68 -0.47 1.06 4.15 -1.08 0.21 115.11 119.66 2kgl h GLN 31 Ca -0.00 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2kgl h GLN 31 Cb 0.48 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2kgl h GLN 31 CO 0.02 0.45 0.13 2.35 -1.93 0.00 0.00 178.83 179.84 2kgl h TRP 32 N 0.70 0.77 0.00 3.99 -0.00 -1.65 -2.54 115.95 117.23 2kgl h TRP 32 Ca 0.52 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.89 59.28 2kgl h TRP 32 Cb 0.78 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.71 2kgl h TRP 32 CO -0.05 0.70 -0.24 1.49 -0.00 0.00 0.00 178.44 180.34 2kgl h GLU 33 N 0.63 0.00 -0.22 2.65 4.57 -1.24 -3.12 114.58 117.83 2kgl h GLU 33 Ca 0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2kgl h GLU 33 Cb 0.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2kgl h GLU 33 CO -0.00 0.24 0.15 -0.22 -1.18 0.00 0.00 179.01 178.00 2kgl h LYS 34 N 0.00 0.30 -1.09 1.92 3.64 -0.22 0.22 116.57 121.34 2kgl h LYS 34 Ca -0.00 -0.02 0.31 0.00 -1.27 0.00 0.00 60.65 59.67 2kgl h LYS 34 Cb 0.71 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 2kgl h LYS 34 CO 0.03 0.20 0.78 0.22 -2.27 0.00 0.00 179.45 178.41 2kgl h ASP 35 N 0.30 0.03 0.01 4.20 1.82 -1.48 0.47 116.42 121.77 2kgl h ASP 35 Ca 0.08 0.01 -0.27 0.00 -0.39 0.00 0.00 57.03 56.46 2kgl h ASP 35 Cb -0.03 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.94 2kgl h ASP 35 CO -0.02 0.01 -1.47 -0.67 -1.61 0.00 0.00 179.24 175.48 2kgl n ASP 36 N -4.24 1.90 0.00 2.28 -0.08 -0.73 -4.67 116.55 111.01 2kgl n ASP 36 Ca 0.23 0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 2kgl n ASP 36 Cb 1.14 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.66 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kgl n ASP 37 N -4.31 0.00 -2.47 1.67 8.00 0.69 -5.03 116.55 115.10 2kgl n ASP 37 Ca -0.34 0.72 -0.01 0.00 0.71 0.00 0.00 54.79 55.86 2kgl n ASP 37 Cb 0.74 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kgl n ILE 38 N -1.77-10.38 0.00 0.53 5.41 0.15 -5.05 119.36 108.25 2kgl n ILE 38 Ca 0.00 1.67 0.00 0.00 1.00 0.00 0.00 62.75 65.42 2kgl n ILE 38 Cb 0.00 -6.32 0.00 0.00 -0.71 0.00 0.00 39.64 32.61 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 0.74 0.00 -1.55 0.38 2.13 -1.26 -5.12 120.64 115.95 2kgl n GLU 39 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2kgl n GLU 39 Cb 0.11 -0.21 0.00 0.00 0.27 0.00 0.00 31.44 31.61 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2kgl n GLU 40 N -2.47 0.00 0.00 5.31 2.13 -1.26 -5.04 120.64 119.31 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 -0.07 2.75 8.31 0.00 -1.25 -4.30 105.19 110.63 2kgl n GLY 41 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2kgl n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgl n ASP 42 N -1.80 -4.92 -2.75 1.61 2.03 -1.24 -1.55 116.55 107.93 2kgl n ASP 42 Ca 0.00 1.28 -0.06 0.00 0.52 0.00 0.00 54.79 56.53 2kgl n ASP 42 Cb 0.00 -4.69 0.03 0.00 -0.72 0.00 0.00 41.12 35.74 2kgl n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kgl n LEU 43 N 1.29 -3.15 -0.03 -2.67 -0.00 -1.25 -0.89 117.00 110.30 2kgl n LEU 43 Ca -0.17 -3.12 -0.09 0.00 -0.00 0.00 0.00 56.01 52.63 2kgl n LEU 43 Cb 0.30 0.80 0.07 0.00 -0.00 0.00 0.00 43.42 44.60 2kgl n LEU 43 CO 0.36 1.97 0.57 1.55 -0.00 0.00 0.00 177.39 181.84 2kgl h PRO 44 N 4.45 0.65 -5.35 1.47 0.13 -1.96 -3.49 132.00 127.90 2kgl h PRO 44 Ca -0.06 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2kgl h PRO 44 Cb 1.07 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kgl h PRO 44 CO 0.18 0.95 -1.00 -1.91 -0.23 0.00 0.00 178.00 175.99 2kgl n GLU 45 N -4.03 -3.00 0.00 0.86 2.13 -1.26 -5.01 120.64 110.33 2kgl n GLU 45 Ca -0.02 2.48 0.00 0.00 0.66 0.00 0.00 57.16 60.28 2kgl n GLU 45 Cb 0.53 -4.67 0.00 0.00 0.27 0.00 0.00 31.44 27.58 2kgl n GLU 45 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2kgl n HIS 46 N 0.82 0.00 0.00 4.31 1.44 -1.26 -5.09 115.22 115.43 2kgl n HIS 46 Ca -0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kgl n HIS 46 Cb 0.09 0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.26 2kgl n HIS 46 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kgl n LYS 47 N -2.48 0.00 -3.22 -1.40 5.02 -1.26 -5.09 118.16 109.73 2kgl n LYS 47 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2kgl n LYS 47 Cb 0.35 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.38 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -1.40 -1.87 -2.12 1.97 5.12 -1.26 -4.84 116.66 112.26 2kgl n ARG 48 Ca 0.00 1.57 -0.43 0.00 -1.93 0.00 0.00 57.85 57.06 2kgl n ARG 48 Cb 0.00 -4.26 -0.03 0.00 -1.16 0.00 0.00 32.46 27.02 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kgl s PRO 49 N -3.08 3.80 0.26 5.56 0.04 -1.26 -5.00 135.00 135.32 2kgl s PRO 49 Ca 0.18 1.65 0.08 0.00 0.04 0.00 0.00 61.00 62.96 2kgl s PRO 49 Cb -0.03 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 2kgl s PRO 49 CO 0.81 -1.29 0.09 -1.54 0.04 0.00 0.00 177.00 175.11 2kgl s SER 50 N 4.22 4.96 0.29 6.66 1.04 -1.26 -5.14 113.70 124.47 2kgl s SER 50 Ca 0.71 -0.49 0.11 0.00 0.48 0.00 0.00 55.95 56.77 2kgl s SER 50 Cb -0.25 -1.07 -0.05 0.00 0.10 0.00 0.00 66.02 64.75 2kgl s SER 50 CO 0.29 -0.04 -0.17 0.00 0.98 0.00 0.00 173.24 174.31 2kgl s ALA 51 N -2.25 2.81 -0.94 5.32 0.00 -1.26 -4.73 121.76 120.71 2kgl s ALA 51 Ca 0.32 -1.91 -0.24 0.00 0.00 0.00 0.00 51.96 50.13 2kgl s ALA 51 Cb -0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 2kgl s ALA 51 CO 0.22 0.24 1.95 -1.25 0.00 0.00 0.00 175.76 176.92 2kgl s PRO 52 N -3.54 2.54 -0.55 0.00 0.04 -1.26 -4.63 135.00 127.60 2kgl s PRO 52 Ca 0.31 -0.41 -0.10 0.00 0.04 0.00 0.00 61.00 60.84 2kgl s PRO 52 Cb -0.04 -5.09 0.14 0.00 0.04 0.00 0.00 34.50 29.56 2kgl s PRO 52 CO 0.16 -3.47 0.44 -1.50 0.04 0.00 0.00 177.00 172.67 2kgl s ILE 53 N 10.24 4.49 0.38 0.56 2.07 -1.26 -5.03 121.20 132.65 2kgl s ILE 53 Ca 0.70 -2.00 0.08 0.00 -1.41 0.00 0.00 60.65 58.02 2kgl s ILE 53 Cb -0.06 -3.91 -0.07 0.00 0.13 0.00 0.00 42.46 38.55 2kgl s ILE 53 CO 0.01 -0.84 -0.04 1.51 -1.91 0.00 0.00 174.94 173.67 2kgl s ASP 54 N 2.48 3.79 0.00 4.50 -4.77 -1.26 -4.30 116.67 117.10 2kgl s ASP 54 Ca 0.09 -1.29 0.00 0.00 -3.30 0.00 0.00 52.55 48.05 2kgl s ASP 54 Cb -0.24 -0.37 0.00 0.00 -1.09 0.00 0.00 42.92 41.22 2kgl s ASP 54 CO -0.02 -0.33 0.00 0.49 0.70 0.00 0.00 175.17 176.01 2kgl n PHE 55 N -0.88 0.00 -2.49 2.11 3.72 -1.26 -5.08 117.46 113.58 2kgl n PHE 55 Ca -0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.32 2kgl n PHE 55 Cb 0.65 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.17 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kgl n SER 56 N -2.13 -3.17 0.00 4.37 2.88 -1.26 -5.03 113.62 109.29 2kgl n SER 56 Ca 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2kgl n SER 56 Cb 0.48 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 2kgl n SER 56 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kgl n LYS 57 N 1.14 0.00 0.00 -1.46 2.85 -1.26 -4.99 118.16 114.44 2kgl n LYS 57 Ca -0.23 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.03 2kgl n LYS 57 Cb 0.35 -0.26 0.00 0.00 -0.65 0.00 0.00 35.03 34.47 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kgl n LEU 58 N -1.72 0.00 -4.73 -5.58 4.32 -1.26 -4.85 117.00 103.18 2kgl n LEU 58 Ca 0.00 0.78 -0.22 0.00 -0.02 0.00 0.00 56.01 56.54 2kgl n LEU 58 Cb 0.00 -0.28 -0.06 0.00 -1.62 0.00 0.00 43.42 41.46 2kgl n LEU 58 CO 0.00 -0.28 -0.25 -1.81 -1.22 0.00 0.00 177.39 173.84 2kgl s ASP 59 N -2.00 4.97 0.00 -1.43 1.01 -1.26 -5.06 116.67 112.90 2kgl s ASP 59 Ca 0.00 -0.49 -0.24 0.00 0.71 0.00 0.00 52.55 52.53 2kgl s ASP 59 Cb 0.00 -1.07 -0.18 0.00 1.01 0.00 0.00 42.92 42.68 2kgl s ASP 59 CO 0.00 -0.05 1.30 1.55 0.21 0.00 0.00 175.17 178.18 2kgl h PRO 60 N 1.68 0.15 0.00 8.23 0.13 -1.95 -3.48 132.00 136.77 2kgl h PRO 60 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kgl h PRO 60 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kgl h PRO 60 CO 0.61 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.38 2kgl n GLY 61 N 0.21 4.69 3.36 1.56 0.00 -1.26 -5.04 105.19 108.71 2kgl n GLY 61 Ca -0.07 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 2kgl n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kgl s LYS 62 N 4.01 1.15 1.09 1.61 1.02 -1.26 -4.90 119.74 122.47 2kgl s LYS 62 Ca 0.00 -0.68 -0.15 0.00 0.02 0.00 0.00 55.97 55.16 2kgl s LYS 62 Cb 0.00 0.50 0.23 0.00 -0.52 0.00 0.00 37.83 38.05 2kgl s LYS 62 CO 0.00 -0.47 1.10 -1.25 -0.92 0.00 0.00 175.35 173.81 2kgl s PRO 63 N -3.80 -0.34 0.37 -1.68 0.04 -1.26 -4.96 135.00 123.38 2kgl s PRO 63 Ca 0.03 0.25 0.20 0.00 0.04 0.00 0.00 61.00 61.52 2kgl s PRO 63 Cb 0.01 -1.67 0.26 0.00 0.04 0.00 0.00 34.50 33.14 2kgl s PRO 63 CO -0.11 -3.19 1.55 1.49 0.04 0.00 0.00 177.00 176.78 2kgl h GLU 64 N -2.21 0.00 0.00 4.56 4.57 -2.02 -3.17 114.58 116.31 2kgl h GLU 64 Ca -0.51 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 2kgl h GLU 64 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 2kgl h GLU 64 CO 0.48 0.22 -0.05 0.66 -1.18 0.00 0.00 179.01 179.14 2kgl h SER 65 N 0.00 0.00 -0.64 1.04 4.64 -1.93 -2.68 113.55 113.99 2kgl h SER 65 Ca -0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 2kgl h SER 65 Cb 1.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 2kgl h SER 65 CO 0.03 0.05 0.46 -0.29 -0.87 0.00 0.00 176.83 176.20 2kgl h ILE 66 N 0.00 0.69 -0.02 0.95 6.09 -1.93 0.24 117.51 123.53 2kgl h ILE 66 Ca -0.00 -0.01 0.01 0.00 -1.37 0.00 0.00 64.86 63.49 2kgl h ILE 66 Cb 0.34 0.67 -0.00 0.00 0.47 0.00 0.00 36.82 38.30 2kgl h ILE 66 CO 0.01 0.00 0.06 -0.07 -3.07 0.00 0.00 178.15 175.08 2kgl h LEU 67 N 0.02 0.00 -2.37 2.19 3.38 -1.73 -1.03 115.31 115.78 2kgl h LEU 67 Ca 0.30 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.30 2kgl h LEU 67 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2kgl h LEU 67 CO -0.01 0.00 0.16 0.50 0.09 0.00 0.00 178.44 179.18 2kgl h LYS 68 N 0.00 0.00 0.02 1.13 3.64 -0.72 -2.62 116.57 118.02 2kgl h LYS 68 Ca 0.01 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 2kgl h LYS 68 Cb 0.14 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2kgl h LYS 68 CO -0.00 0.00 -0.42 0.52 -2.27 0.00 0.00 179.45 177.28 2kgl h MET 69 N 0.00 -0.57 -3.19 1.90 2.86 -1.38 -3.45 114.93 111.11 2kgl h MET 69 Ca 0.05 0.04 -0.32 0.00 -2.06 0.00 0.00 59.70 57.41 2kgl h MET 69 Cb 0.38 0.13 0.03 0.00 0.06 0.00 0.00 31.60 32.19 2kgl h MET 69 CO -0.00 -0.38 -0.46 2.41 1.06 0.00 0.00 176.91 179.54 2kgl n THR 70 N -5.45 -1.33 -2.28 2.22 -1.04 -0.99 -4.35 114.28 101.06 2kgl n THR 70 Ca -0.06 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.92 2kgl n THR 70 Cb 0.37 -2.79 -0.02 0.00 -1.82 0.00 0.00 70.33 66.07 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kgl n LYS 71 N -3.08 -4.18 0.00 -2.82 4.81 -1.26 -4.12 118.16 107.51 2kgl n LYS 71 Ca -0.12 3.16 0.00 0.00 -0.87 0.00 0.00 58.31 60.48 2kgl n LYS 71 Cb 0.61 -4.28 0.00 0.00 0.02 0.00 0.00 35.03 31.39 2kgl n LYS 71 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kgl n LYS 72 N 1.50 0.00 0.00 1.64 3.00 -1.26 -4.93 118.16 118.12 2kgl n LYS 72 Ca -0.18 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2kgl n LYS 72 Cb 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 35.03 34.48 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kgl n GLY 73 N 1.84 -0.93 3.13 3.14 0.00 -1.26 -4.72 105.19 106.40 2kgl n GLY 73 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 2kgl n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kgl s LYS 74 N 0.00 0.30 1.25 1.61 2.20 -1.22 -0.06 119.74 123.82 2kgl s LYS 74 Ca 0.00 0.34 -0.19 0.00 -0.36 0.00 0.00 55.97 55.76 2kgl s LYS 74 Cb 0.00 0.14 0.30 0.00 -1.51 0.00 0.00 37.83 36.76 2kgl s LYS 74 CO 0.00 -0.04 0.68 -2.37 -0.36 0.00 0.00 175.35 173.26 2kgl n THR 75 N 2.92 0.00 -5.25 3.43 5.66 -1.26 -4.66 114.28 115.13 2kgl n THR 75 Ca -0.13 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.56 2kgl n THR 75 Cb 0.58 -0.77 -0.16 0.00 -1.55 0.00 0.00 70.33 68.43 2kgl n THR 75 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kgl s LEU 76 N 0.00 2.10 -0.26 1.09 1.98 -1.26 -4.52 118.68 117.81 2kgl s LEU 76 Ca 0.52 -0.50 -0.08 0.00 -2.89 0.00 0.00 54.13 51.18 2kgl s LEU 76 Cb -0.09 -1.38 0.12 0.00 0.66 0.00 0.00 46.19 45.49 2kgl s LEU 76 CO 0.44 0.24 0.56 0.00 -1.89 0.00 0.00 176.35 175.70 2kgl s MET 77 N -0.15 0.48 -0.11 1.98 0.23 -1.19 -3.20 119.30 117.34 2kgl s MET 77 Ca -0.04 1.26 -0.22 0.00 -1.03 0.00 0.00 55.69 55.66 2kgl s MET 77 Cb -0.14 0.63 0.05 0.00 -1.53 0.00 0.00 34.83 33.84 2kgl s MET 77 CO 0.04 -0.25 0.53 0.00 -2.03 0.00 0.00 175.02 173.31 2kgl s MET 78 N 2.79 0.78 -0.06 3.16 0.23 -1.15 -2.30 119.30 122.75 2kgl s MET 78 Ca -0.02 0.39 -0.03 0.00 -1.03 0.00 0.00 55.69 55.00 2kgl s MET 78 Cb -0.12 0.37 0.04 0.00 -1.53 0.00 0.00 34.83 33.58 2kgl s MET 78 CO -0.17 -0.18 0.09 -0.06 -2.03 0.00 0.00 175.02 172.67 2kgl s PHE 79 N -0.54 -0.00 -0.04 3.16 0.08 0.82 -3.28 117.98 118.18 2kgl s PHE 79 Ca -0.07 0.33 -0.08 0.00 0.12 0.00 0.00 56.93 57.24 2kgl s PHE 79 Cb -0.03 -0.43 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 2kgl s PHE 79 CO 0.04 -0.23 0.18 0.54 -0.10 0.00 0.00 175.22 175.66 2kgl s VAL 80 N 2.20 0.04 -0.34 -0.44 0.11 -1.14 -1.66 120.40 119.18 2kgl s VAL 80 Ca 0.04 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2kgl s VAL 80 Cb -0.12 -0.37 0.15 0.00 -1.53 0.00 0.00 36.38 34.51 2kgl s VAL 80 CO -0.04 -0.17 0.34 0.28 -3.33 0.00 0.00 175.10 172.18 2kgl s THR 81 N -0.59 -0.34 -0.22 5.04 -1.32 0.10 -1.27 115.64 117.04 2kgl s THR 81 Ca -0.07 -0.82 -0.33 0.00 -1.21 0.00 0.00 61.69 59.27 2kgl s THR 81 Cb -0.04 -0.82 0.15 0.00 -1.51 0.00 0.00 72.50 70.28 2kgl s THR 81 CO 0.01 -0.55 1.23 0.54 -2.21 0.00 0.00 174.62 173.64 2kgl s VAL 82 N 1.79 0.00 -0.07 5.08 0.11 0.05 -2.11 120.40 125.25 2kgl s VAL 82 Ca 0.14 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.90 2kgl s VAL 82 Cb -0.15 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.63 2kgl s VAL 82 CO -0.15 0.00 1.92 -0.44 -3.33 0.00 0.00 175.10 173.10 2kgl s SER 83 N -1.67 6.26 0.45 3.54 0.01 -1.26 -3.18 113.70 117.85 2kgl s SER 83 Ca 0.08 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2kgl s SER 83 Cb -0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kgl s SER 83 CO -0.05 -1.25 0.00 0.61 0.41 0.00 0.00 173.24 172.96 2kgl n GLY 84 N 4.75 -3.66 3.64 3.44 0.00 -1.26 -4.43 105.19 107.67 2kgl n GLY 84 Ca 0.21 -1.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.19 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 -5.09 -0.23 -1.03 1.61 3.04 -1.26 -4.62 114.94 107.36 2kgl s ASN 85 Ca 0.00 0.44 -0.24 0.00 0.04 0.00 0.00 52.86 53.10 2kgl s ASN 85 Cb 0.00 0.54 -0.06 0.00 -1.54 0.00 0.00 41.25 40.19 2kgl s ASN 85 CO 0.00 -0.07 1.94 -2.16 -3.04 0.00 0.00 177.10 173.77 2kgl s PRO 86 N 0.27 2.54 0.00 0.43 0.04 -1.26 -4.29 135.00 132.73 2kgl s PRO 86 Ca 0.04 -0.68 0.01 0.00 0.04 0.00 0.00 61.00 60.40 2kgl s PRO 86 Cb -0.05 -5.14 0.01 0.00 0.04 0.00 0.00 34.50 29.36 2kgl s PRO 86 CO -0.12 -3.64 0.65 0.25 0.04 0.00 0.00 177.00 174.18 2kgl n THR 87 N 7.84 0.00 -0.11 1.26 -2.24 -1.26 -4.93 114.28 114.84 2kgl n THR 87 Ca 0.42 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 62.13 2kgl n THR 87 Cb 0.47 0.15 0.02 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.02 0.15 -0.23 -0.78 4.11 -1.91 0.21 114.58 116.16 2kgl h GLU 88 Ca -0.11 -0.01 -0.17 0.00 0.07 0.00 0.00 59.36 59.14 2kgl h GLU 88 Cb 1.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2kgl h GLU 88 CO -0.05 0.10 -0.54 1.57 0.07 0.00 0.00 179.01 180.16 2kgl h LYS 89 N 0.16 0.67 -0.22 1.06 2.10 -1.97 -3.15 116.57 115.22 2kgl h LYS 89 Ca 0.18 -0.42 -0.01 0.00 -2.00 0.00 0.00 60.65 58.41 2kgl h LYS 89 Cb 0.22 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.59 2kgl h LYS 89 CO -0.26 1.03 0.12 0.93 -2.00 0.00 0.00 179.45 179.27 2kgl h GLU 90 N 0.52 0.30 -0.59 0.07 3.07 -1.77 -2.67 114.58 113.50 2kgl h GLU 90 Ca 0.01 -0.04 0.11 0.00 -0.50 0.00 0.00 59.36 58.94 2kgl h GLU 90 Cb 1.10 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 28.87 2kgl h GLU 90 CO 0.11 0.29 0.15 1.79 -1.40 0.00 0.00 179.01 179.95 2kgl h THR 91 N 0.24 0.67 0.00 1.13 1.35 -0.62 0.19 112.91 115.87 2kgl h THR 91 Ca 0.08 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 2kgl h THR 91 Cb 0.08 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 66.86 2kgl h THR 91 CO -0.01 0.05 -0.06 -0.08 -0.25 0.00 0.00 175.52 175.17 2kgl h GLU 92 N 0.29 0.00 0.00 4.72 4.81 -1.47 -1.05 114.58 121.87 2kgl h GLU 92 Ca 0.31 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.46 2kgl h GLU 92 Cb 0.44 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2kgl h GLU 92 CO -0.38 0.06 -0.45 0.93 -0.73 0.00 0.00 179.01 178.44 2kgl h GLU 93 N 0.00 0.00 -1.02 1.92 5.08 -0.37 -3.28 114.58 116.90 2kgl h GLU 93 Ca -0.00 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.66 2kgl h GLU 93 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2kgl h GLU 93 CO 0.01 0.33 0.74 0.82 -1.00 0.00 0.00 179.01 179.90 2kgl h ILE 94 N 0.00 0.48 -0.63 3.13 1.08 0.34 0.27 117.51 122.19 2kgl h ILE 94 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.38 2kgl h ILE 94 Cb 1.28 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 2kgl h ILE 94 CO 0.04 0.00 0.10 0.00 -0.69 0.00 0.00 178.15 177.60 2kgl h THR 95 N 0.00 1.26 -0.13 -0.27 1.03 -1.69 0.35 112.91 113.45 2kgl h THR 95 Ca 0.49 -1.02 -0.07 0.00 -0.01 0.00 0.00 66.41 65.80 2kgl h THR 95 Cb 1.96 0.70 -0.00 0.00 -1.07 0.00 0.00 68.15 69.73 2kgl h THR 95 CO -0.01 0.38 -0.20 -1.28 -0.01 0.00 0.00 175.52 174.41 2kgl h SER 96 N 0.95 0.41 0.50 0.00 0.87 -0.71 -3.15 113.55 112.42 2kgl h SER 96 Ca 0.19 -0.52 -0.10 0.00 -1.23 0.00 0.00 61.79 60.13 2kgl h SER 96 Cb 0.43 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 2kgl h SER 96 CO 0.01 0.85 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.61 2kgl h LEU 97 N -0.02 0.00 -1.95 2.23 3.38 -1.35 -2.81 115.31 114.79 2kgl h LEU 97 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kgl h LEU 97 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kgl h LEU 97 CO 0.05 0.48 -0.04 -0.25 0.09 0.00 0.00 178.44 178.77 2kgl h TRP 98 N 0.00 0.00 -0.76 1.13 2.91 -0.27 -2.44 115.95 116.52 2kgl h TRP 98 Ca -0.00 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.16 2kgl h TRP 98 Cb 0.86 0.00 -0.10 0.00 -0.51 0.00 0.00 29.16 29.41 2kgl h TRP 98 CO 0.00 0.04 0.30 1.96 -1.03 0.00 0.00 178.44 179.71 2kgl h GLN 99 N 0.00 0.43 0.01 2.65 4.20 -1.47 0.29 115.11 121.22 2kgl h GLN 99 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2kgl h GLN 99 Cb 0.07 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2kgl h GLN 99 CO 0.00 0.28 -0.01 0.78 -0.67 0.00 0.00 178.83 179.22 2kgl h GLY 100 N 0.44 -0.01 1.87 3.46 0.00 -1.62 -3.05 103.07 104.15 2kgl h GLY 100 Ca 0.42 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.78 2kgl h GLY 100 CO -0.41 -0.01 0.05 1.76 0.00 0.00 0.00 176.54 177.93 2kgl h SER 101 N -0.54 0.00 -0.27 0.19 0.02 -1.40 -1.31 113.55 110.24 2kgl h SER 101 Ca -0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2kgl h SER 101 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2kgl h SER 101 CO 0.00 0.00 -0.14 0.25 -1.14 0.00 0.00 176.83 175.80 2kgl h LEU 102 N 0.00 0.70 -1.91 5.07 6.46 -0.39 -2.67 115.31 122.57 2kgl h LEU 102 Ca 0.03 -0.21 0.17 0.00 -0.12 0.00 0.00 57.88 57.75 2kgl h LEU 102 Cb 0.13 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2kgl h LEU 102 CO -0.00 0.85 0.45 0.15 -0.62 0.00 0.00 178.44 179.27 2kgl h PHE 103 N 0.63 0.10 -0.01 1.25 3.04 -1.13 0.24 116.94 121.07 2kgl h PHE 103 Ca 0.11 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2kgl h PHE 103 Cb 0.60 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 2kgl h PHE 103 CO 0.03 0.04 0.05 -0.91 -2.02 0.00 0.00 178.31 175.49 2kgl h ASN 104 N 0.09 0.00 -1.46 0.41 4.21 -1.55 -3.45 115.58 113.83 2kgl h ASN 104 Ca 0.31 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.48 2kgl h ASN 104 Cb 1.09 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 38.21 2kgl h ASN 104 CO -0.03 0.00 -0.36 0.00 -1.29 0.00 0.00 177.43 175.75 2kgl n ALA 105 N -2.13 -0.35 -2.11 -0.83 0.00 0.86 -4.31 120.51 111.64 2kgl n ALA 105 Ca -0.03 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 2kgl n ALA 105 Cb 0.12 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 2kgl n ALA 105 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kgl n ASN 106 N -0.88 0.02 -4.57 0.00 6.94 -1.26 -4.06 115.26 111.45 2kgl n ASN 106 Ca -0.18 -1.72 -0.38 0.00 -0.02 0.00 0.00 54.58 52.28 2kgl n ASN 106 Cb 0.59 -0.07 0.05 0.00 -2.36 0.00 0.00 39.78 37.99 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kgl n TYR 107 N 0.11 0.30 -3.67 -2.53 0.18 -1.26 -3.42 117.16 106.87 2kgl n TYR 107 Ca -0.04 0.43 -0.18 0.00 1.88 0.00 0.00 57.90 59.99 2kgl n TYR 107 Cb 0.74 -2.07 -0.17 0.00 -0.38 0.00 0.00 39.34 37.47 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2kgl s ASP 108 N -1.27 0.91 -0.04 9.48 2.15 -1.18 -4.86 116.67 121.86 2kgl s ASP 108 Ca 0.74 0.23 -0.08 0.00 0.43 0.00 0.00 52.55 53.87 2kgl s ASP 108 Cb -0.42 0.11 0.01 0.00 -0.30 0.00 0.00 42.92 42.32 2kgl s ASP 108 CO 0.49 -0.25 0.20 0.54 -0.17 0.00 0.00 175.17 175.98 2kgl s VAL 109 N 2.24 0.03 0.02 1.11 0.11 -1.26 -2.01 120.40 120.65 2kgl s VAL 109 Ca 0.04 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2kgl s VAL 109 Cb -0.12 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 2kgl s VAL 109 CO -0.05 -0.16 -0.05 -1.58 -3.33 0.00 0.00 175.10 169.94 2kgl s GLN 110 N -0.55 0.36 -0.16 1.54 0.74 -0.37 -4.39 119.66 116.82 2kgl s GLN 110 Ca -0.06 -0.45 0.01 0.00 0.05 0.00 0.00 55.36 54.90 2kgl s GLN 110 Cb -0.04 -0.17 0.00 0.00 1.10 0.00 0.00 33.01 33.90 2kgl s GLN 110 CO 0.01 0.03 -0.17 1.03 -0.55 0.00 0.00 175.29 175.64 2kgl s ARG 111 N -0.92 3.13 -0.04 1.67 1.81 -1.24 -3.17 118.95 120.19 2kgl s ARG 111 Ca -0.07 -0.79 0.01 0.00 -1.72 0.00 0.00 55.73 53.17 2kgl s ARG 111 Cb -0.06 -2.58 0.02 0.00 -0.45 0.00 0.00 34.95 31.88 2kgl s ARG 111 CO -0.00 -0.04 -0.06 0.12 -0.68 0.00 0.00 175.30 174.64 2kgl s PHE 112 N 0.92 0.85 -0.14 -0.53 5.36 -1.01 -4.73 117.98 118.69 2kgl s PHE 112 Ca -0.04 -0.25 -0.11 0.00 -0.96 0.00 0.00 56.93 55.58 2kgl s PHE 112 Cb -0.15 -0.70 0.04 0.00 -0.34 0.00 0.00 43.02 41.87 2kgl s PHE 112 CO -0.03 -0.18 0.36 -1.50 -1.46 0.00 0.00 175.22 172.41 2kgl s ILE 113 N 0.76 -0.01 -0.17 3.12 2.07 -1.26 -2.02 121.20 123.68 2kgl s ILE 113 Ca -0.11 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.11 2kgl s ILE 113 Cb -0.14 -0.53 0.08 0.00 0.13 0.00 0.00 42.46 42.01 2kgl s ILE 113 CO 0.01 0.02 0.35 -0.69 -1.91 0.00 0.00 174.94 172.72 2kgl s VAL 114 N 0.68 -0.55 0.00 4.00 1.01 -0.88 -5.03 120.40 119.63 2kgl s VAL 114 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2kgl s VAL 114 Cb -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2kgl s VAL 114 CO -0.05 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2kgl n GLY 115 N 5.37 0.32 0.03 4.51 0.00 -1.26 -0.17 105.19 114.00 2kgl n GLY 115 Ca -0.07 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.62 2kgl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 116 N 6.82 0.61 -4.79 1.61 7.64 -1.26 -5.03 113.62 119.23 2kgl n SER 116 Ca 0.00 -0.81 -0.38 0.00 1.01 0.00 0.00 58.87 58.69 2kgl n SER 116 Cb 0.00 0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 2kgl n SER 116 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kgl s ASP 117 N -0.62 7.27 -0.06 6.43 1.11 0.77 -4.14 116.67 127.43 2kgl s ASP 117 Ca 0.01 1.60 -0.02 0.00 0.18 0.00 0.00 52.55 54.32 2kgl s ASP 117 Cb 0.01 -2.48 0.03 0.00 1.07 0.00 0.00 42.92 41.55 2kgl s ASP 117 CO 0.04 0.11 0.03 -0.13 1.18 0.00 0.00 175.17 176.40 2kgl s ARG 118 N -1.56 0.29 -0.06 8.23 3.00 -1.19 -2.07 118.95 125.59 2kgl s ARG 118 Ca 0.40 0.22 0.02 0.00 0.00 0.00 0.00 55.73 56.37 2kgl s ARG 118 Cb -0.20 -0.79 0.02 0.00 0.00 0.00 0.00 34.95 33.97 2kgl s ARG 118 CO 0.24 -0.33 -0.11 0.00 0.00 0.00 0.00 175.30 175.11 2kgl s ALA 119 N 2.06 1.16 0.03 2.13 0.00 -0.86 -0.77 121.76 125.51 2kgl s ALA 119 Ca 0.05 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2kgl s ALA 119 Cb -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2kgl s ALA 119 CO -0.04 0.07 -0.15 -1.50 0.00 0.00 0.00 175.76 174.14 2kgl s ILE 120 N 0.76 1.15 -0.05 0.00 2.07 -0.39 -2.40 121.20 122.33 2kgl s ILE 120 Ca -0.13 -0.97 -0.02 0.00 -1.41 0.00 0.00 60.65 58.11 2kgl s ILE 120 Cb -0.15 -1.03 0.04 0.00 0.13 0.00 0.00 42.46 41.44 2kgl s ILE 120 CO 0.03 0.05 0.10 0.12 -1.91 0.00 0.00 174.94 173.32 2kgl s PHE 121 N -0.80 -0.04 -0.14 3.50 5.36 -1.19 -2.87 117.98 121.80 2kgl s PHE 121 Ca 0.02 0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.26 2kgl s PHE 121 Cb -0.08 -0.35 0.04 0.00 -0.34 0.00 0.00 43.02 42.30 2kgl s PHE 121 CO 0.01 -0.20 0.37 0.00 -1.46 0.00 0.00 175.22 173.93 2kgl s MET 122 N 2.01 0.40 -0.01 10.12 0.23 -1.20 -1.24 119.30 129.61 2kgl s MET 122 Ca 0.02 0.58 -0.15 0.00 -1.03 0.00 0.00 55.69 55.10 2kgl s MET 122 Cb -0.12 0.13 0.02 0.00 -1.53 0.00 0.00 34.83 33.33 2kgl s MET 122 CO -0.04 -0.09 0.32 -1.17 -2.03 0.00 0.00 175.02 172.02 2kgl s LEU 123 N 0.56 0.80 0.61 0.18 2.96 -0.85 -2.93 118.68 120.01 2kgl s LEU 123 Ca -0.03 0.10 0.33 0.00 -0.22 0.00 0.00 54.13 54.30 2kgl s LEU 123 Cb -0.05 1.31 1.93 0.00 0.50 0.00 0.00 46.19 49.89 2kgl s LEU 123 CO -0.03 -0.46 2.25 0.08 -1.32 0.00 0.00 176.35 176.87 2kgl h ARG 124 N 3.81 0.00 0.00 1.98 0.11 -1.86 -3.13 114.38 115.29 2kgl h ARG 124 Ca -0.30 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.38 2kgl h ARG 124 Cb 1.18 0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.31 2kgl h ARG 124 CO 0.40 0.00 0.04 -3.47 0.10 0.00 0.00 179.97 177.04 2kgl n ASP 125 N -3.66 1.40 0.03 0.08 -0.08 -1.26 -4.31 116.55 108.75 2kgl n ASP 125 Ca -0.02 -2.11 0.00 0.00 -1.51 0.00 0.00 54.79 51.15 2kgl n ASP 125 Cb 0.12 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.09 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 -1.42 -0.04 0.24 0.27 0.00 -1.22 -3.40 105.19 99.62 2kgl n GLY 126 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2kgl n GLY 126 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kgl h SER 127 N 0.00 -0.45 -0.50 1.61 0.87 -1.98 -2.03 113.55 111.07 2kgl h SER 127 Ca 0.00 -0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2kgl h SER 127 Cb 0.46 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 2kgl h SER 127 CO 0.00 -0.01 0.34 0.22 -0.53 0.00 0.00 176.83 176.84 2kgl h TYR 128 N -1.01 0.40 -0.44 2.24 3.20 -2.01 -1.44 116.97 117.90 2kgl h TYR 128 Ca -0.05 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.68 2kgl h TYR 128 Cb 0.53 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kgl h TYR 128 CO 0.02 0.21 -0.28 0.00 -1.64 0.00 0.00 178.16 176.47 2kgl h ALA 129 N 1.73 0.65 -0.85 1.82 0.00 -1.81 -3.08 119.26 117.72 2kgl h ALA 129 Ca 0.22 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2kgl h ALA 129 Cb 0.38 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2kgl h ALA 129 CO -0.06 0.68 0.43 2.35 0.00 0.00 0.00 179.25 182.65 2kgl h TRP 130 N 0.82 0.76 -0.69 0.00 -0.00 -0.48 0.25 115.95 116.60 2kgl h TRP 130 Ca 0.09 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.96 2kgl h TRP 130 Cb 0.87 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 29.79 2kgl h TRP 130 CO 0.06 0.16 0.20 0.93 -0.00 0.00 0.00 178.44 179.79 2kgl h GLU 131 N 0.60 1.09 -0.14 2.65 5.08 -1.49 -2.76 114.58 119.62 2kgl h GLU 131 Ca 0.47 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2kgl h GLU 131 Cb 0.69 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2kgl h GLU 131 CO -0.38 0.95 -0.49 0.82 -1.00 0.00 0.00 179.01 178.91 2kgl h ILE 132 N 1.02 1.33 0.09 3.13 2.04 -0.99 -3.11 117.51 121.03 2kgl h ILE 132 Ca 0.22 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.38 2kgl h ILE 132 Cb 0.32 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 2kgl h ILE 132 CO -0.00 0.52 -0.27 0.50 0.00 0.00 0.00 178.15 178.89 2kgl h LYS 133 N 0.28 -0.39 -0.75 2.37 1.63 -0.29 0.20 116.57 119.63 2kgl h LYS 133 Ca 0.01 0.03 0.18 0.00 -0.85 0.00 0.00 60.65 60.02 2kgl h LYS 133 Cb 0.96 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 2kgl h LYS 133 CO 0.08 -0.26 0.51 0.22 -3.45 0.00 0.00 179.45 176.55 2kgl h ASP 134 N -0.41 0.22 0.45 4.20 1.82 -1.62 0.25 116.42 121.32 2kgl h ASP 134 Ca -0.01 0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.54 2kgl h ASP 134 Cb 0.40 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 2kgl h ASP 134 CO -0.13 0.10 -0.50 0.15 -1.61 0.00 0.00 179.24 177.25 2kgl h PHE 135 N 0.22 0.08 0.02 0.28 3.04 -1.18 -2.01 116.94 117.39 2kgl h PHE 135 Ca 0.37 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 2kgl h PHE 135 Cb 1.11 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2kgl h PHE 135 CO -0.00 0.56 -0.01 1.25 -2.02 0.00 0.00 178.31 178.09 2kgl h LEU 136 N 0.05 -0.02 -2.00 0.59 5.85 0.26 -3.16 115.31 116.89 2kgl h LEU 136 Ca -0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 2kgl h LEU 136 Cb 0.91 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2kgl h LEU 136 CO 0.07 -0.01 0.51 1.62 -0.34 0.00 0.00 178.44 180.29 2kgl h VAL 137 N -0.04 0.64 -0.67 1.05 3.04 -1.61 -0.57 116.25 118.09 2kgl h VAL 137 Ca -0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 2kgl h VAL 137 Cb 0.02 0.64 -0.07 0.00 -2.01 0.00 0.00 31.29 29.88 2kgl h VAL 137 CO 0.00 0.00 0.33 0.28 -1.01 0.00 0.00 177.57 177.18 2kgl h SER 138 N 0.00 0.44 0.10 3.17 0.02 -1.39 -2.82 113.55 113.08 2kgl h SER 138 Ca 0.34 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2kgl h SER 138 Cb 1.36 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2kgl h SER 138 CO -0.00 0.27 -0.05 1.56 -1.14 0.00 0.00 176.83 177.46 2kgl h GLN 139 N 0.59 -0.13 -6.01 3.45 1.08 -1.06 -3.48 115.11 109.55 2kgl h GLN 139 Ca 0.32 0.01 -0.42 0.00 -1.45 0.00 0.00 58.65 57.11 2kgl h GLN 139 Cb 0.31 0.03 0.07 0.00 -0.05 0.00 0.00 27.48 27.84 2kgl h GLN 139 CO -0.24 0.31 -0.74 -3.47 -0.95 0.00 0.00 178.83 173.74 2kgl n ASP 140 N -4.92 -4.51 -1.90 1.46 2.03 -1.07 -4.82 116.55 102.82 2kgl n ASP 140 Ca -0.08 -0.67 -0.01 0.00 0.52 0.00 0.00 54.79 54.54 2kgl n ASP 140 Cb 0.26 -4.53 -0.00 0.00 -0.72 0.00 0.00 41.12 36.13 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 -4.68 0.10 -3.75 -0.67 0.63 -0.90 -4.85 116.66 102.55 2kgl n ARG 141 Ca -0.07 -0.24 -0.13 0.00 -0.92 0.00 0.00 57.85 56.49 2kgl n ARG 141 Cb 0.58 0.02 -0.09 0.00 0.45 0.00 0.00 32.46 33.42 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 -0.58 0.55 -0.18 0.00 0.00 -1.26 -0.72 121.76 119.57 2kgl s ALA 143 Ca -0.07 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 2kgl s ALA 143 Cb -0.04 -0.72 0.09 0.00 0.00 0.00 0.00 23.12 22.44 2kgl s ALA 143 CO 0.03 -0.50 0.39 -1.21 0.00 0.00 0.00 175.76 174.46 2kgl s GLU 144 N 2.04 0.28 0.02 0.00 2.02 -0.66 -3.67 118.70 118.74 2kgl s GLU 144 Ca 0.05 0.97 0.03 0.00 0.02 0.00 0.00 54.97 56.04 2kgl s GLU 144 Cb -0.12 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 2kgl s GLU 144 CO -0.05 -0.26 -0.09 0.14 0.02 0.00 0.00 175.26 175.02 2kgl s VAL 145 N 2.57 0.72 -0.05 2.63 -7.23 -0.06 -0.12 120.40 118.85 2kgl s VAL 145 Ca -0.01 -0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2kgl s VAL 145 Cb -0.12 -0.68 0.04 0.00 0.56 0.00 0.00 36.38 36.18 2kgl s VAL 145 CO -0.12 -0.07 0.10 0.42 -0.31 0.00 0.00 175.10 175.12 2kgl s THR 146 N -0.77 -0.12 -0.01 5.32 -4.23 -0.97 -3.94 115.64 110.92 2kgl s THR 146 Ca -0.02 0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 2kgl s THR 146 Cb -0.07 -0.19 0.03 0.00 1.34 0.00 0.00 72.50 73.61 2kgl s THR 146 CO 0.00 0.13 0.34 -1.48 -0.54 0.00 0.00 174.62 173.08 2kgl s LEU 147 N 1.73 0.71 0.00 4.79 -0.00 -1.26 -3.17 118.68 121.47 2kgl s LEU 147 Ca -0.02 0.10 0.00 0.00 -0.00 0.00 0.00 54.13 54.21 2kgl s LEU 147 Cb -0.12 1.41 0.00 0.00 -0.00 0.00 0.00 46.19 47.47 2kgl s LEU 147 CO -0.04 -0.49 0.00 1.21 -0.00 0.00 0.00 176.35 177.03 2kgl n GLU 148 N 1.12 -2.92 -3.17 1.48 0.00 -1.26 -4.82 120.64 111.07 2kgl n GLU 148 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.74 2kgl n GLU 148 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.96 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kgl n GLY 149 N -0.00 3.76 0.00 8.31 0.00 -1.26 -3.42 105.19 112.57 2kgl n GLY 149 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.54 0.00 0.00 1.61 1.13 -1.23 -4.53 117.38 114.89 2kgl n GLN 150 Ca 0.25 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.66 2kgl n GLN 150 Cb 0.57 -1.06 0.00 0.00 0.11 0.00 0.00 30.24 29.86 2kgl n GLN 150 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2kgl n MET 151 N -1.02 0.00 -3.62 -1.09 2.81 0.84 -4.86 117.12 110.19 2kgl n MET 151 Ca 0.00 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.52 2kgl n MET 151 Cb 0.00 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.45 2kgl n MET 151 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2kgl s TYR 152 N 0.00 3.81 1.04 2.03 5.04 0.92 -4.38 117.35 125.81 2kgl s TYR 152 Ca 0.00 -2.88 -0.14 0.00 -2.44 0.00 0.00 57.07 51.61 2kgl s TYR 152 Cb 0.00 -3.31 0.21 0.00 0.35 0.00 0.00 41.96 39.21 2kgl s TYR 152 CO 0.00 -0.79 1.10 -1.25 -1.34 0.00 0.00 175.55 173.27 2kgl s PRO 153 N -0.98 0.06 0.00 4.97 0.04 -0.03 -4.63 135.00 134.43 2kgl s PRO 153 Ca 0.25 0.39 0.26 0.00 0.04 0.00 0.00 61.00 61.94 2kgl s PRO 153 Cb -0.10 -1.71 1.33 0.00 0.04 0.00 0.00 34.50 34.06 2kgl s PRO 153 CO -0.10 -2.95 1.88 0.41 0.04 0.00 0.00 177.00 176.28 2kgl n GLY 154 N -1.05 -1.11 0.23 0.56 0.00 -1.26 -2.99 105.19 99.56 2kgl n GLY 154 Ca 0.06 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2kgl n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgl h LYS 155 N 0.00 0.00 0.00 1.61 2.10 -1.92 -3.37 116.57 114.99 2kgl h LYS 155 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kgl h LYS 155 Cb 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2kgl h LYS 155 CO 0.00 0.10 0.00 0.41 -2.00 0.00 0.00 179.45 177.96 2kgl n GLY 156 N 0.61 1.21 2.43 0.07 0.00 -1.16 -4.81 105.19 103.54 2kgl n GLY 156 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.51 1.75 -0.02 0.00 -1.24 -4.80 105.19 102.39 2kgl n GLY 157 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.42 2.21 0.00 -0.02 0.00 -1.26 -4.93 105.19 100.77 2kgl n GLY 158 Ca -0.19 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2kgl n GLY 158 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 159 N -0.11 0.00 -4.18 1.61 2.88 -1.26 -4.94 113.62 107.61 2kgl n SER 159 Ca 0.11 0.14 -0.29 0.00 -1.33 0.00 0.00 58.87 57.50 2kgl n SER 159 Cb 0.98 -0.28 -0.09 0.00 -0.75 0.00 0.00 64.21 64.07 2kgl n SER 159 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kgl n LYS 160 N -1.69 -0.94 -0.07 -1.46 2.85 -1.26 -4.85 118.16 110.74 2kgl n LYS 160 Ca 0.00 0.08 -0.05 0.00 -1.05 0.00 0.00 58.31 57.29 2kgl n LYS 160 Cb 0.00 -3.33 -0.02 0.00 -0.65 0.00 0.00 35.03 31.03 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2kgl n GLU 161 N -4.29 0.46 -2.88 -1.58 4.07 -1.26 -4.99 120.64 110.16 2kgl n GLU 161 Ca -0.29 0.52 -0.05 0.00 -0.06 0.00 0.00 57.16 57.28 2kgl n GLU 161 Cb 0.64 -1.69 0.02 0.00 -0.06 0.00 0.00 31.44 30.35 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kgl n LYS 162 N -4.61 -1.42 -4.30 5.31 3.00 -1.21 -5.03 118.16 109.91 2kgl n LYS 162 Ca -0.08 1.11 -0.21 0.00 -0.00 0.00 0.00 58.31 59.13 2kgl n LYS 162 Cb 0.29 -5.14 -0.11 0.00 0.00 0.00 0.00 35.03 30.06 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2kgl s ASN 163 N -3.03 2.45 0.50 3.14 3.84 -1.26 -5.05 114.94 115.52 2kgl s ASN 163 Ca 0.15 -0.82 -0.09 0.00 0.21 0.00 0.00 52.86 52.31 2kgl s ASN 163 Cb -0.02 -0.13 -0.05 0.00 -0.55 0.00 0.00 41.25 40.50 2kgl s ASN 163 CO 0.63 -0.05 0.86 -0.54 -2.79 0.00 0.00 177.10 175.21 2kgl s LYS 164 N -2.63 3.66 -0.37 0.43 1.02 -1.26 -4.40 119.74 116.19 2kgl s LYS 164 Ca 0.12 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.63 2kgl s LYS 164 Cb -0.06 -2.28 0.15 0.00 -0.52 0.00 0.00 37.83 35.12 2kgl s LYS 164 CO 0.05 -0.25 0.36 0.95 -0.92 0.00 0.00 175.35 175.54 2kgl s THR 165 N -2.73 -0.27 -0.02 2.17 -4.23 -1.26 -4.99 115.64 104.31 2kgl s THR 165 Ca 0.51 -1.11 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 2kgl s THR 165 Cb -0.10 -0.72 -0.10 0.00 1.34 0.00 0.00 72.50 72.92 2kgl s THR 165 CO 0.42 -0.64 0.79 0.11 -0.54 0.00 0.00 174.62 174.76 2kgl h LYS 166 N 6.98 -0.64 -0.07 3.99 1.57 -1.99 -0.85 116.57 125.57 2kgl h LYS 166 Ca 0.06 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2kgl h LYS 166 Cb 1.04 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2kgl h LYS 166 CO 0.20 -0.43 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.19 2kgl h PRO 167 N -1.12 0.16 0.00 3.15 0.13 -2.02 -2.93 132.00 129.37 2kgl h PRO 167 Ca -0.07 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 2kgl h PRO 167 Cb 0.51 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2kgl h PRO 167 CO 0.11 0.60 -0.46 1.49 -0.23 0.00 0.00 178.00 179.51 2kgl h GLU 168 N 0.13 0.00 -0.73 0.86 4.57 -1.96 -3.12 114.58 114.33 2kgl h GLU 168 Ca 0.01 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 2kgl h GLU 168 Cb 0.88 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.39 2kgl h GLU 168 CO 0.07 0.46 0.34 0.87 -1.18 0.00 0.00 179.01 179.58 2kgl h LYS 169 N 0.00 0.54 0.03 1.92 1.57 -0.95 -1.42 116.57 118.27 2kgl h LYS 169 Ca -0.00 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 2kgl h LYS 169 Cb 1.18 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 2kgl h LYS 169 CO 0.06 0.36 -1.05 0.00 -0.57 0.00 0.00 179.45 178.25 2kgl h ALA 170 N 1.47 0.30 -0.24 3.86 0.00 -1.68 -3.13 119.26 119.85 2kgl h ALA 170 Ca 0.37 -0.89 0.06 0.00 0.00 0.00 0.00 54.91 54.45 2kgl h ALA 170 Cb 0.46 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2kgl h ALA 170 CO -0.31 1.17 -0.22 -0.22 0.00 0.00 0.00 179.25 179.67 2kgl h LYS 171 N 0.02 -0.21 0.00 0.00 3.64 -1.21 0.27 116.57 119.08 2kgl h LYS 171 Ca -0.04 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2kgl h LYS 171 Cb 1.80 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.65 2kgl h LYS 171 CO 0.15 -0.14 -0.52 0.87 -2.27 0.00 0.00 179.45 177.53 2kgl h LYS 172 N -0.22 0.00 -0.37 1.90 1.79 -1.56 -2.98 116.57 115.14 2kgl h LYS 172 Ca 0.14 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 2kgl h LYS 172 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2kgl h LYS 172 CO -0.37 0.52 -0.20 -0.22 -1.08 0.00 0.00 179.45 178.11 2kgl h LYS 173 N 0.00 0.70 0.06 3.15 1.63 -1.13 -3.16 116.57 117.82 2kgl h LYS 173 Ca -0.01 -0.26 -0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2kgl h LYS 173 Cb 0.93 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2kgl h LYS 173 CO 0.07 0.85 -0.03 1.49 -3.45 0.00 0.00 179.45 178.38 2kgl h GLU 174 N 0.62 -0.08 0.00 1.90 4.81 -0.37 -3.48 114.58 117.98 2kgl h GLU 174 Ca 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2kgl h GLU 174 Cb 0.68 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2kgl h GLU 174 CO 0.05 0.12 0.00 0.41 -0.73 0.00 0.00 179.01 178.86 2kgl n GLY 175 N -0.61 2.94 0.43 1.92 0.00 -1.18 -4.23 105.19 104.46 2kgl n GLY 175 Ca -0.08 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.92 -0.08 1.61 5.19 -1.85 -3.33 116.42 117.04 2kgl h ASP 176 Ca 0.00 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2kgl h ASP 176 Cb 0.00 0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 2kgl h ASP 176 CO 0.00 -0.58 -0.08 1.55 -3.12 0.00 0.00 179.24 177.01 2kgl h PRO 177 N -1.24 0.19 -1.30 3.56 0.13 -1.97 -3.49 132.00 127.88 2kgl h PRO 177 Ca -0.11 -0.10 0.29 0.00 -0.87 0.00 0.00 66.00 65.21 2kgl h PRO 177 Cb 0.83 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.77 2kgl h PRO 177 CO 0.18 0.62 0.88 0.15 -0.23 0.00 0.00 178.00 179.61 2kgl s LYS 178 N -4.28 0.20 0.11 0.86 1.02 -1.25 -5.09 119.74 111.31 2kgl s LYS 178 Ca -0.15 -0.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 2kgl s LYS 178 Cb 0.04 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.46 2kgl s LYS 178 CO 0.72 -0.09 0.10 -0.35 -0.92 0.00 0.00 175.35 174.81 2kgl n PRO 179 N -0.09 -1.22 -2.94 -1.68 -0.04 -1.26 -4.43 135.00 123.34 2kgl n PRO 179 Ca 0.02 -0.16 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2kgl n PRO 179 Cb 0.58 -0.15 0.05 0.00 -0.04 0.00 0.00 33.50 33.93 2kgl n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgl n ARG 180 N -1.82 -1.74 0.00 0.54 1.74 -1.26 -4.88 116.66 109.24 2kgl n ARG 180 Ca 0.01 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 2kgl n ARG 180 Cb 0.05 -5.13 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl n ALA 181 N -2.71 0.00 -0.35 7.54 0.00 -1.26 -4.96 120.51 118.77 2kgl n ALA 181 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.51 2kgl n ALA 181 Cb 0.58 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.33 2kgl n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kgl h SER 182 N 0.00 0.81 -0.73 0.00 0.87 -1.90 0.57 113.55 113.18 2kgl h SER 182 Ca 0.00 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.74 2kgl h SER 182 Cb 0.00 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 61.82 2kgl h SER 182 CO 0.00 0.33 0.36 0.50 -0.53 0.00 0.00 176.83 177.49 2kgl h LYS 183 N 0.82 0.58 -0.01 2.24 1.63 -1.92 0.23 116.57 120.14 2kgl h LYS 183 Ca 0.56 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 60.20 2kgl h LYS 183 Cb 0.80 -0.13 0.01 0.00 -0.60 0.00 0.00 32.23 32.30 2kgl h LYS 183 CO -0.36 0.39 -0.47 0.93 -3.45 0.00 0.00 179.45 176.49 2kgl h GLU 184 N 0.60 0.34 -0.70 1.90 4.39 -1.43 -3.13 114.58 116.57 2kgl h GLU 184 Ca 0.36 -0.35 0.07 0.00 0.34 0.00 0.00 59.36 59.78 2kgl h GLU 184 Cb 0.40 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2kgl h GLU 184 CO -0.28 1.03 0.38 -0.44 -1.16 0.00 0.00 179.01 178.54 2kgl h ASP 185 N -0.21 0.54 -1.00 1.42 3.32 -0.55 -1.57 116.42 118.36 2kgl h ASP 185 Ca -0.06 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.06 2kgl h ASP 185 Cb 1.19 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 2kgl h ASP 185 CO 0.09 0.33 0.66 -1.13 -1.72 0.00 0.00 179.24 177.48 2kgl h ASN 186 N 0.67 1.13 -0.48 6.45 -0.73 -0.62 -0.31 115.58 121.70 2kgl h ASN 186 Ca 0.32 -0.02 0.03 0.00 1.87 0.00 0.00 56.30 58.50 2kgl h ASN 186 Cb 0.25 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.54 2kgl h ASN 186 CO -0.21 0.80 0.32 0.03 -0.37 0.00 0.00 177.43 177.99 2kgl h ARG 187 N 1.32 0.51 -0.01 6.67 3.08 -1.23 0.13 114.38 124.86 2kgl h ARG 187 Ca 0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2kgl h ARG 187 Cb -0.09 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2kgl h ARG 187 CO -0.10 0.34 -0.00 0.00 -1.07 0.00 0.00 179.97 179.14 2kgl n ALA 188 N -2.48 2.65 -1.59 0.04 0.00 -0.62 -3.14 120.51 115.36 2kgl n ALA 188 Ca 0.05 -0.29 -0.41 0.00 0.00 0.00 0.00 53.44 52.79 2kgl n ALA 188 Cb 0.15 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.23 2kgl n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgl n GLY 189 N 1.07 -0.40 0.01 0.00 0.00 0.46 -4.85 105.19 101.49 2kgl n GLY 189 Ca 0.22 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 46.33 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N 0.47 2.00 -2.56 1.61 2.88 -1.26 -2.28 113.62 114.47 2kgl n SER 190 Ca 0.10 -1.01 -0.01 0.00 -1.33 0.00 0.00 58.87 56.62 2kgl n SER 190 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kgl n ARG 191 N -0.01 -2.89 -3.89 -1.46 0.00 -1.26 -4.06 116.66 103.09 2kgl n ARG 191 Ca -0.00 2.40 -0.28 0.00 -0.00 0.00 0.00 57.85 59.97 2kgl n ARG 191 Cb 0.00 -4.82 0.02 0.00 0.00 0.00 0.00 32.46 27.66 2kgl n ARG 191 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kgl n ARG 192 N 0.48 -4.94 0.00 -0.14 0.63 -1.26 -4.82 116.66 106.61 2kgl n ARG 192 Ca 0.01 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 2kgl n ARG 192 Cb 0.05 -5.28 0.00 0.00 0.45 0.00 0.00 32.46 27.69 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kgl n GLU 193 N -4.52 0.00 -2.46 -0.14 4.07 -1.26 -5.02 120.64 111.31 2kgl n GLU 193 Ca -0.08 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.88 2kgl n GLU 193 Cb 0.58 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.95 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kgl n ASP 194 N -2.48 -4.07 0.00 4.31 2.03 -0.97 -5.00 116.55 110.38 2kgl n ASP 194 Ca 0.00 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.47 2kgl n ASP 194 Cb 0.00 -3.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.95 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17