#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 6.72 0.11 0.00 1.01 -1.26 -5.07 116.67 118.18 2kgl s ASP 2 Ca 0.00 0.87 0.03 0.00 0.71 0.00 0.00 52.55 54.16 2kgl s ASP 2 Cb 0.00 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 2kgl s ASP 2 CO 0.00 -0.16 0.12 0.42 0.21 0.00 0.00 175.17 175.76 2kgl s THR 3 N 1.34 4.67 0.05 -1.27 -4.23 -1.26 -5.04 115.64 109.90 2kgl s THR 3 Ca 0.29 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.80 2kgl s THR 3 Cb -0.16 -3.30 -0.13 0.00 1.34 0.00 0.00 72.50 70.25 2kgl s THR 3 CO 0.12 0.05 1.36 1.55 -0.54 0.00 0.00 174.62 177.15 2kgl h PRO 4 N 2.94 0.43 0.00 3.99 0.13 -1.97 -3.46 132.00 134.07 2kgl h PRO 4 Ca -0.47 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2kgl h PRO 4 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kgl h PRO 4 CO 0.66 0.79 0.00 0.41 -0.23 0.00 0.00 178.00 179.63 2kgl n GLY 5 N 0.18 2.41 2.38 1.56 0.00 -1.26 -4.82 105.19 105.64 2kgl n GLY 5 Ca -0.06 -0.74 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.50 -1.06 1.61 2.13 -1.26 -4.77 120.64 115.79 2kgl n GLU 6 Ca 0.00 0.95 -0.04 0.00 0.66 0.00 0.00 57.16 58.72 2kgl n GLU 6 Cb 0.00 -5.48 -0.03 0.00 0.27 0.00 0.00 31.44 26.21 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kgl n ALA 7 N -1.60 1.91 -1.77 4.31 0.00 -1.26 -5.14 120.51 116.96 2kgl n ALA 7 Ca -0.22 -0.49 -0.39 0.00 0.00 0.00 0.00 53.44 52.34 2kgl n ALA 7 Cb 0.67 -0.37 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 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 0.01 3.08 0.96 0.00 -1.32 -1.26 -5.02 115.64 112.09 2kgl s THR 8 Ca 0.01 0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 61.29 2kgl s THR 8 Cb 0.05 -3.53 0.16 0.00 -1.51 0.00 0.00 72.50 67.68 2kgl s THR 8 CO -0.01 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.43 2kgl s PRO 9 N -2.25 0.75 0.96 7.08 0.04 -1.26 -5.04 135.00 135.29 2kgl s PRO 9 Ca 0.56 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 2kgl s PRO 9 Cb -0.32 -1.76 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 0.00 177.00 174.74 2kgl s PRO 10 N -4.95 0.74 -1.17 0.56 0.04 -1.26 -4.88 135.00 124.07 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 32.50 2kgl s PRO 10 CO 0.57 -2.55 1.93 -0.35 0.04 0.00 0.00 177.00 176.64 2kgl n PRO 11 N -4.07 1.60 0.02 0.56 -0.04 -1.26 -4.71 135.00 127.10 2kgl n PRO 11 Ca 0.06 -2.44 -0.07 0.00 -0.04 0.00 0.00 63.50 61.01 2kgl n PRO 11 Cb 0.56 -3.69 0.12 0.00 -0.04 0.00 0.00 33.50 30.45 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 9.60 0.48 0.00 0.54 3.08 -2.02 -3.40 114.38 122.66 2kgl h ARG 12 Ca 0.23 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2kgl h ARG 12 Cb 0.92 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 2kgl h ARG 12 CO 1.26 0.84 -0.16 1.17 -1.07 0.00 0.00 179.97 182.01 2kgl n LYS 13 N -4.00 0.00 -0.08 0.04 3.00 -1.26 -4.92 118.16 110.94 2kgl n LYS 13 Ca -0.02 -0.54 -0.12 0.00 -0.00 0.00 0.00 58.31 57.63 2kgl n LYS 13 Cb 0.53 0.29 -0.08 0.00 0.00 0.00 0.00 35.03 35.77 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2kgl h LYS 14 N 0.00 0.00 -0.72 1.64 1.57 -1.83 -3.36 116.57 113.88 2kgl h LYS 14 Ca -0.31 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.30 2kgl h LYS 14 Cb 1.18 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.38 2kgl h LYS 14 CO -0.16 0.60 0.22 0.36 -0.57 0.00 0.00 179.45 179.90 2kgl n LYS 15 N -4.58 4.01 -0.09 3.15 2.85 -1.26 -3.83 118.16 118.42 2kgl n LYS 15 Ca -0.16 -3.12 -0.13 0.00 -1.05 0.00 0.00 58.31 53.85 2kgl n LYS 15 Cb 0.42 -2.24 -0.06 0.00 -0.65 0.00 0.00 35.03 32.50 2kgl n LYS 15 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kgl n ASP 16 N 0.01 1.83 -2.60 -5.58 -0.08 -1.26 -5.08 116.55 103.80 2kgl n ASP 16 Ca 0.39 0.53 -0.06 0.00 -1.51 0.00 0.00 54.79 54.14 2kgl n ASP 16 Cb 1.36 -0.92 -0.05 0.00 2.34 0.00 0.00 41.12 43.86 2kgl n ASP 16 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2kgl n ILE 17 N -4.52-13.12 -1.67 5.18 5.41 -1.26 -4.54 119.36 104.83 2kgl n ILE 17 Ca -0.20 2.86 -0.46 0.00 1.00 0.00 0.00 62.75 65.95 2kgl n ILE 17 Cb 0.47 -6.60 -0.04 0.00 -0.71 0.00 0.00 39.64 32.76 2kgl n ILE 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2kgl n ARG 18 N 1.73 2.35 -1.05 0.38 3.00 -1.26 -0.08 116.66 121.73 2kgl n ARG 18 Ca -0.43 0.85 -0.02 0.00 -0.00 0.00 0.00 57.85 58.25 2kgl n ARG 18 Cb 0.67 -2.77 -0.01 0.00 0.00 0.00 0.00 32.46 30.35 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 7.20 -5.03 -2.35 6.15 -0.08 -1.25 0.05 116.55 121.24 2kgl n ASP 19 Ca 0.23 0.04 -0.19 0.00 -1.51 0.00 0.00 54.79 53.36 2kgl n ASP 19 Cb 0.33 -2.68 -0.01 0.00 2.34 0.00 0.00 41.12 41.10 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kgl n TYR 20 N -2.34 -1.05 0.00 -0.67 9.36 0.88 -4.26 117.16 119.08 2kgl n TYR 20 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 2kgl n TYR 20 Cb 0.36 -3.61 0.00 0.00 -0.63 0.00 0.00 39.34 35.46 2kgl n TYR 20 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2kgl n ASN 21 N -1.90 0.00 0.31 2.98 0.23 -1.03 -4.94 115.26 110.91 2kgl n ASN 21 Ca -0.22 0.00 0.21 0.00 -0.53 0.00 0.00 54.58 54.04 2kgl n ASN 21 Cb 0.66 0.00 1.10 0.00 -2.08 0.00 0.00 39.78 39.46 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2kgl h ASP 22 N 0.00 0.00 -0.09 0.53 1.82 -0.56 -2.94 116.42 115.17 2kgl h ASP 22 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2kgl h ASP 22 Cb 0.00 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.95 2kgl h ASP 22 CO 0.00 0.00 -0.49 0.00 -1.61 0.00 0.00 179.24 177.14 2kgl h ALA 23 N 1.95 -0.79 -0.86 -0.78 0.00 -1.77 0.24 119.26 117.25 2kgl h ALA 23 Ca 0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2kgl h ALA 23 Cb 0.05 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.66 2kgl h ALA 23 CO 0.00 -1.03 0.47 0.38 0.00 0.00 0.00 179.25 179.07 2kgl h ASP 24 N -0.58 0.61 -0.95 0.00 3.04 -1.86 -0.29 116.42 116.38 2kgl h ASP 24 Ca 0.04 0.08 0.01 0.00 -3.24 0.00 0.00 57.03 53.92 2kgl h ASP 24 Cb 0.68 -0.03 -0.05 0.00 -1.04 0.00 0.00 39.33 38.89 2kgl h ASP 24 CO -0.40 0.28 0.62 -0.03 -2.04 0.00 0.00 179.24 177.67 2kgl h MET 25 N 0.70 1.26 -0.89 4.15 4.05 -1.35 -1.90 114.93 120.94 2kgl h MET 25 Ca 0.46 -0.08 0.22 0.00 -0.28 0.00 0.00 59.70 60.01 2kgl h MET 25 Cb 0.59 -0.28 -0.06 0.00 -0.80 0.00 0.00 31.60 31.05 2kgl h MET 25 CO -0.33 0.85 0.60 0.00 0.23 0.00 0.00 176.91 178.26 2kgl h ALA 26 N 1.39 2.38 -0.28 0.39 0.00 0.85 0.26 119.26 124.25 2kgl h ALA 26 Ca 0.35 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kgl h ALA 26 Cb -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kgl h ALA 26 CO -0.07 -0.66 0.18 -0.09 0.00 0.00 0.00 179.25 178.60 2kgl h ARG 27 N 0.29 0.37 -0.65 0.00 2.43 -1.31 -2.49 114.38 113.01 2kgl h ARG 27 Ca 0.46 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.73 2kgl h ARG 27 Cb 1.32 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.69 2kgl h ARG 27 CO -0.13 0.25 0.14 -0.07 -1.51 0.00 0.00 179.97 178.65 2kgl h LEU 28 N 0.38 -0.00 -1.97 3.80 3.38 -0.58 0.26 115.31 120.57 2kgl h LEU 28 Ca 0.10 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.37 2kgl h LEU 28 Cb -0.03 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2kgl h LEU 28 CO -0.02 -0.01 0.43 0.25 0.09 0.00 0.00 178.44 179.18 2kgl h LEU 29 N 0.26 0.03 -1.02 1.67 5.85 -1.56 0.25 115.31 120.79 2kgl h LEU 29 Ca 0.35 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.97 2kgl h LEU 29 Cb 0.55 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kgl h LEU 29 CO -0.45 0.01 -0.48 -0.08 -0.34 0.00 0.00 178.44 177.11 2kgl h GLU 30 N 0.03 0.03 -0.62 1.25 4.57 -0.59 -3.15 114.58 116.09 2kgl h GLU 30 Ca 0.29 -0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.58 2kgl h GLU 30 Cb 1.12 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.60 2kgl h GLU 30 CO -0.01 0.50 0.03 0.37 -1.18 0.00 0.00 179.01 178.72 2kgl h GLN 31 N 0.02 0.14 -1.00 1.92 -0.00 -0.35 0.11 115.11 115.96 2kgl h GLN 31 Ca -0.00 -0.01 0.17 0.00 -0.00 0.00 0.00 58.65 58.81 2kgl h GLN 31 Cb 0.86 -0.03 -0.10 0.00 0.00 0.00 0.00 27.48 28.21 2kgl h GLN 31 CO 0.06 0.09 0.61 2.35 0.00 0.00 0.00 178.83 181.95 2kgl h TRP 32 N 0.15 1.08 -0.31 3.99 -0.00 -1.64 0.18 115.95 119.39 2kgl h TRP 32 Ca 0.33 0.03 -0.18 0.00 -0.00 0.00 0.00 58.89 59.07 2kgl h TRP 32 Cb 0.53 -0.33 -0.00 0.00 -0.00 0.00 0.00 29.16 29.36 2kgl h TRP 32 CO -0.34 0.30 -0.51 0.93 -0.00 0.00 0.00 178.44 178.81 2kgl h GLU 33 N 0.83 0.90 0.00 2.65 4.39 -0.98 -2.92 114.58 119.44 2kgl h GLU 33 Ca 0.55 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kgl h GLU 33 Cb 0.77 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kgl h GLU 33 CO -0.35 1.19 0.00 1.57 -1.16 0.00 0.00 179.01 180.26 2kgl h LYS 34 N 0.70 0.00 -0.98 2.33 5.09 0.26 -3.05 116.57 120.91 2kgl h LYS 34 Ca 0.03 0.00 0.20 0.00 0.09 0.00 0.00 60.65 60.96 2kgl h LYS 34 Cb 1.12 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.36 2kgl h LYS 34 CO 0.12 0.00 0.62 0.22 -2.09 0.00 0.00 179.45 178.31 2kgl h ASP 35 N 0.00 0.66 0.00 7.07 1.82 -0.52 0.36 116.42 125.81 2kgl h ASP 35 Ca 0.00 0.08 -0.25 0.00 -0.39 0.00 0.00 57.03 56.47 2kgl h ASP 35 Cb 0.50 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.43 2kgl h ASP 35 CO 0.00 0.23 -1.39 -0.67 -1.61 0.00 0.00 179.24 175.81 2kgl n ASP 36 N -4.68 1.87 0.00 2.28 -0.08 -1.16 -4.64 116.55 110.14 2kgl n ASP 36 Ca 0.22 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 2kgl n ASP 36 Cb 0.63 -0.95 0.00 0.00 2.34 0.00 0.00 41.12 43.14 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 -4.42 0.00 -2.48 1.67 8.00 -1.09 -5.00 116.55 113.24 2kgl n ASP 37 Ca -0.34 0.95 -0.04 0.00 0.71 0.00 0.00 54.79 56.06 2kgl n ASP 37 Cb 0.70 -0.47 0.01 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.92 -9.00 0.00 0.53 5.41 0.12 -5.03 119.36 109.47 2kgl n ILE 38 Ca 0.00 0.87 0.00 0.00 1.00 0.00 0.00 62.75 64.62 2kgl n ILE 38 Cb 0.00 -6.39 0.00 0.00 -0.71 0.00 0.00 39.64 32.54 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 -0.10 0.00 -1.81 0.38 4.07 -1.26 -5.11 120.64 116.80 2kgl n GLU 39 Ca 0.06 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 2kgl n GLU 39 Cb 0.25 -0.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.86 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 -1.45 0.00 0.00 5.31 2.13 -1.26 -5.06 120.64 120.31 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 1.36 2.97 8.31 0.00 -1.26 -4.28 105.19 112.29 2kgl n GLY 41 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kgl n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kgl s ASP 42 N -2.00 4.29 0.26 1.61 -1.08 -1.26 -4.48 116.67 114.01 2kgl s ASP 42 Ca 0.00 -1.57 0.08 0.00 -0.52 0.00 0.00 52.55 50.54 2kgl s ASP 42 Cb 0.00 -1.37 -0.04 0.00 -1.46 0.00 0.00 42.92 40.05 2kgl s ASP 42 CO 0.00 -0.29 0.11 -0.76 0.52 0.00 0.00 175.17 174.75 2kgl s LEU 43 N 1.20 3.54 0.11 -1.34 1.02 -1.26 -5.05 118.68 116.90 2kgl s LEU 43 Ca -0.00 -0.43 -0.14 0.00 0.02 0.00 0.00 54.13 53.58 2kgl s LEU 43 Cb -0.19 -2.07 -0.08 0.00 0.02 0.00 0.00 46.19 43.88 2kgl s LEU 43 CO -0.09 -0.02 1.43 1.55 0.02 0.00 0.00 176.35 179.25 2kgl h PRO 44 N 1.66 0.75 -5.59 1.29 0.13 -2.00 -3.49 132.00 124.76 2kgl h PRO 44 Ca -0.47 -0.39 -0.01 0.00 -0.87 0.00 0.00 66.00 64.26 2kgl h PRO 44 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kgl h PRO 44 CO 0.61 1.02 -0.99 0.39 -0.23 0.00 0.00 178.00 178.80 2kgl n GLU 45 N -4.23 -2.35 -0.01 0.86 1.02 -1.26 -4.96 120.64 109.72 2kgl n GLU 45 Ca -0.03 2.07 -0.21 0.00 -0.02 0.00 0.00 57.16 58.97 2kgl n GLU 45 Cb 0.48 -3.86 -0.14 0.00 -0.02 0.00 0.00 31.44 27.91 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kgl h HIS 46 N 3.18 0.37 0.00 -0.32 2.07 -1.98 -3.47 115.15 115.00 2kgl h HIS 46 Ca -0.01 -0.27 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2kgl h HIS 46 Cb 0.41 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.37 2kgl h HIS 46 CO 0.01 1.48 0.00 1.17 -3.07 0.00 0.00 177.93 177.52 2kgl n LYS 47 N -4.05 0.00 -3.14 5.12 4.81 -1.26 -5.10 118.16 114.54 2kgl n LYS 47 Ca -0.24 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.05 2kgl n LYS 47 Cb 0.84 -0.04 0.01 0.00 0.02 0.00 0.00 35.03 35.86 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kgl n ARG 48 N -2.15 -1.98 -2.10 1.64 5.12 -1.26 -4.84 116.66 111.09 2kgl n ARG 48 Ca 0.00 1.70 -0.43 0.00 -1.93 0.00 0.00 57.85 57.19 2kgl n ARG 48 Cb 0.00 -4.53 -0.03 0.00 -1.16 0.00 0.00 32.46 26.75 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 -2.90 3.59 0.27 5.56 0.04 -1.26 -4.99 135.00 135.31 2kgl s PRO 49 Ca 0.20 1.48 0.09 0.00 0.04 0.00 0.00 61.00 62.81 2kgl s PRO 49 Cb -0.04 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 2kgl s PRO 49 CO 0.80 -1.55 0.07 -1.12 0.04 0.00 0.00 177.00 175.24 2kgl s SER 50 N 4.91 4.85 0.11 6.66 0.01 -1.26 -5.14 113.70 123.84 2kgl s SER 50 Ca 0.73 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 57.33 2kgl s SER 50 Cb -0.22 -1.01 0.02 0.00 0.21 0.00 0.00 66.02 65.02 2kgl s SER 50 CO 0.31 -0.03 0.31 0.00 0.41 0.00 0.00 173.24 174.24 2kgl s ALA 51 N -2.27 -0.59 -0.43 1.44 0.00 -1.26 -4.75 121.76 113.89 2kgl s ALA 51 Ca 0.32 -0.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.67 2kgl s ALA 51 Cb -0.07 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 2kgl s ALA 51 CO 0.22 -0.59 1.75 -1.25 0.00 0.00 0.00 175.76 175.88 2kgl s PRO 52 N -3.84 3.15 -0.17 0.00 0.04 -1.26 -4.82 135.00 128.10 2kgl s PRO 52 Ca 0.05 1.08 0.19 0.00 0.04 0.00 0.00 61.00 62.36 2kgl s PRO 52 Cb 0.03 -4.23 0.46 0.00 0.04 0.00 0.00 34.50 30.80 2kgl s PRO 52 CO -0.11 -2.08 1.16 0.44 0.04 0.00 0.00 177.00 176.45 2kgl n ILE 53 N 7.29 1.24 -1.92 0.56 -5.35 -1.26 -5.04 119.36 114.88 2kgl n ILE 53 Ca 0.21 -2.58 -0.30 0.00 -0.27 0.00 0.00 62.75 59.81 2kgl n ILE 53 Cb 0.49 0.50 0.21 0.00 -1.74 0.00 0.00 39.64 39.10 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 -0.35 0.09 -0.07 7.28 5.75 -1.26 -4.94 116.55 123.04 2kgl n ASP 54 Ca 0.15 -1.48 -0.12 0.00 -0.01 0.00 0.00 54.79 53.33 2kgl n ASP 54 Cb 0.92 -1.02 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 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 -3.85 0.00 -2.67 2.11 3.01 -1.26 -5.09 117.46 109.70 2kgl n PHE 55 Ca 0.17 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.61 2kgl n PHE 55 Cb 0.58 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 2kgl n PHE 55 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2kgl n SER 56 N -4.14 -7.65 -1.85 4.37 7.64 -1.26 -5.01 113.62 105.73 2kgl n SER 56 Ca -0.21 1.14 -0.02 0.00 1.01 0.00 0.00 58.87 60.79 2kgl n SER 56 Cb 0.53 -5.09 0.02 0.00 -1.01 0.00 0.00 64.21 58.66 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 57 N 0.41 0.62 0.00 1.43 3.00 -1.26 -4.99 118.16 117.36 2kgl n LYS 57 Ca 0.03 -1.80 0.00 0.00 -0.00 0.00 0.00 58.31 56.54 2kgl n LYS 57 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 35.03 35.09 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kgl n LEU 58 N -0.31 0.68 -4.73 3.14 7.99 -1.26 -5.02 117.00 117.50 2kgl n LEU 58 Ca -0.10 0.14 -0.23 0.00 -0.01 0.00 0.00 56.01 55.82 2kgl n LEU 58 Cb 0.88 -0.28 -0.06 0.00 -0.11 0.00 0.00 43.42 43.86 2kgl n LEU 58 CO -0.08 -0.28 -0.25 -1.81 -1.51 0.00 0.00 177.39 173.47 2kgl s ASP 59 N -2.38 4.94 -1.10 -1.43 1.11 -1.26 -5.02 116.67 111.52 2kgl s ASP 59 Ca 0.00 -0.51 -0.23 0.00 0.18 0.00 0.00 52.55 52.00 2kgl s ASP 59 Cb 0.00 -1.05 -0.10 0.00 1.07 0.00 0.00 42.92 42.84 2kgl s ASP 59 CO 0.00 -0.05 1.93 -0.81 1.18 0.00 0.00 175.17 177.42 2kgl n PRO 60 N -1.04 1.58 0.00 8.23 -0.04 -1.26 -4.73 135.00 137.74 2kgl n PRO 60 Ca -0.06 -2.35 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 2kgl n PRO 60 Cb 0.59 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 2kgl n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 61 N 5.54 0.26 3.45 0.55 0.00 -1.26 -5.07 105.19 108.67 2kgl n GLY 61 Ca 0.46 -1.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 0.00 1.20 0.72 1.61 0.00 -1.26 -4.99 119.74 117.02 2kgl s LYS 62 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 55.97 55.62 2kgl s LYS 62 Cb 0.00 0.56 0.03 0.00 0.00 0.00 0.00 37.83 38.42 2kgl s LYS 62 CO 0.00 -0.48 1.10 -1.25 0.00 0.00 0.00 175.35 174.72 2kgl s PRO 63 N -2.89 2.50 0.30 1.78 0.04 -1.26 -4.96 135.00 130.50 2kgl s PRO 63 Ca -0.03 1.27 0.16 0.00 0.04 0.00 0.00 61.00 62.45 2kgl s PRO 63 Cb -0.01 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.72 2kgl s PRO 63 CO -0.05 -1.47 1.46 0.93 0.04 0.00 0.00 177.00 177.90 2kgl h GLU 64 N -0.61 0.00 -0.89 4.56 3.07 -2.01 -3.28 114.58 115.43 2kgl h GLU 64 Ca -0.45 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.47 2kgl h GLU 64 Cb 1.24 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.09 2kgl h GLU 64 CO 0.52 0.41 0.58 1.03 -1.40 0.00 0.00 179.01 180.16 2kgl h SER 65 N 0.00 0.89 -0.50 1.42 0.87 -1.90 -0.69 113.55 113.64 2kgl h SER 65 Ca -0.01 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.70 2kgl h SER 65 Cb 1.33 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2kgl h SER 65 CO 0.05 0.57 0.37 -0.29 -0.53 0.00 0.00 176.83 177.01 2kgl h ILE 66 N 1.01 0.69 0.00 2.23 6.09 -1.91 0.24 117.51 125.86 2kgl h ILE 66 Ca 0.38 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.86 2kgl h ILE 66 Cb 0.20 0.73 -0.00 0.00 0.47 0.00 0.00 36.82 38.22 2kgl h ILE 66 CO -0.14 0.00 -0.04 -0.07 -3.07 0.00 0.00 178.15 174.83 2kgl h LEU 67 N 0.00 0.00 -2.58 2.19 3.38 -1.32 -1.64 115.31 115.34 2kgl h LEU 67 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2kgl h LEU 67 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2kgl h LEU 67 CO -0.00 0.04 -0.00 0.50 0.09 0.00 0.00 178.44 179.06 2kgl h LYS 68 N 0.00 0.00 -0.54 1.13 3.64 -0.63 -2.44 116.57 117.73 2kgl h LYS 68 Ca -0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2kgl h LYS 68 Cb 0.16 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 2kgl h LYS 68 CO 0.01 0.00 0.13 0.52 -2.27 0.00 0.00 179.45 177.83 2kgl h MET 69 N 0.00 0.26 -4.98 1.90 2.86 -1.46 -3.42 114.93 110.10 2kgl h MET 69 Ca -0.00 -0.02 -0.30 0.00 -2.06 0.00 0.00 59.70 57.32 2kgl h MET 69 Cb 0.01 -0.06 0.12 0.00 0.06 0.00 0.00 31.60 31.73 2kgl h MET 69 CO 0.00 0.17 -0.59 2.41 1.06 0.00 0.00 176.91 179.96 2kgl n THR 70 N -5.10 -3.48 -2.66 2.22 -1.04 -0.92 -4.31 114.28 99.00 2kgl n THR 70 Ca 0.07 -0.17 -0.04 0.00 -2.04 0.00 0.00 64.05 61.87 2kgl n THR 70 Cb 0.27 -3.96 -0.03 0.00 -1.82 0.00 0.00 70.33 64.78 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 -3.93 -4.19 0.00 -2.82 4.81 -1.26 -4.53 118.16 106.23 2kgl n LYS 71 Ca -0.09 3.21 0.00 0.00 -0.87 0.00 0.00 58.31 60.56 2kgl n LYS 71 Cb 0.59 -4.98 0.00 0.00 0.02 0.00 0.00 35.03 30.66 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 1.49 0.00 0.00 1.64 3.00 -1.26 -4.99 118.16 118.03 2kgl n LYS 72 Ca -0.30 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2kgl n LYS 72 Cb 0.47 -1.24 0.00 0.00 0.00 0.00 0.00 35.03 34.26 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 -0.81 -0.99 3.26 3.14 0.00 -1.26 -5.07 105.19 103.46 2kgl n GLY 73 Ca 0.00 0.43 -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 0.53 0.00 1.61 2.47 -1.26 -1.39 119.74 121.70 2kgl s LYS 74 Ca 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 2kgl s LYS 74 Cb 0.00 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.62 2kgl s LYS 74 CO 0.00 -0.10 0.00 -2.37 0.16 0.00 0.00 175.35 173.04 2kgl n THR 75 N 2.29 0.00 -3.93 3.43 5.66 -1.19 -4.73 114.28 115.81 2kgl n THR 75 Ca -0.16 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 2kgl n THR 75 Cb 0.57 -0.02 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2kgl s LEU 76 N 0.00 1.88 -0.30 1.09 -0.00 -1.26 -4.61 118.68 115.47 2kgl s LEU 76 Ca 0.00 -0.38 -0.10 0.00 -0.00 0.00 0.00 54.13 53.65 2kgl s LEU 76 Cb 0.00 0.43 0.14 0.00 -0.00 0.00 0.00 46.19 46.75 2kgl s LEU 76 CO 0.00 -0.36 0.70 0.00 -0.00 0.00 0.00 176.35 176.69 2kgl s MET 77 N -1.60 0.54 -0.10 1.48 0.23 -1.19 -3.26 119.30 115.40 2kgl s MET 77 Ca -0.14 1.33 -0.06 0.00 -1.03 0.00 0.00 55.69 55.79 2kgl s MET 77 Cb -0.08 0.80 0.04 0.00 -1.53 0.00 0.00 34.83 34.06 2kgl s MET 77 CO -0.00 -0.21 0.24 -1.64 -2.03 0.00 0.00 175.02 171.38 2kgl s MET 78 N 2.83 0.22 -0.07 3.16 -1.94 -0.73 -1.05 119.30 121.73 2kgl s MET 78 Ca -0.04 0.46 -0.03 0.00 -1.71 0.00 0.00 55.69 54.37 2kgl s MET 78 Cb -0.11 -0.05 0.04 0.00 2.01 0.00 0.00 34.83 36.71 2kgl s MET 78 CO -0.19 -0.13 0.10 -0.06 -0.01 0.00 0.00 175.02 174.74 2kgl s PHE 79 N 0.93 -0.02 -0.19 -0.03 0.08 0.25 -2.35 117.98 116.66 2kgl s PHE 79 Ca -0.07 0.33 -0.11 0.00 0.12 0.00 0.00 56.93 57.21 2kgl s PHE 79 Cb -0.08 -0.42 0.06 0.00 -0.57 0.00 0.00 43.02 42.01 2kgl s PHE 79 CO -0.06 -0.25 0.46 0.54 -0.10 0.00 0.00 175.22 175.80 2kgl s VAL 80 N 2.21 -0.02 -0.70 -0.44 0.11 -1.18 -0.09 120.40 120.30 2kgl s VAL 80 Ca 0.04 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.22 2kgl s VAL 80 Cb -0.12 -0.67 0.17 0.00 -1.53 0.00 0.00 36.38 34.23 2kgl s VAL 80 CO -0.05 0.03 0.51 1.07 -3.33 0.00 0.00 175.10 173.33 2kgl n THR 81 N 4.23 1.60 -3.56 5.04 5.66 0.45 -2.23 114.28 125.47 2kgl n THR 81 Ca -0.23 -4.85 -0.08 0.00 -3.05 0.00 0.00 64.05 55.84 2kgl n THR 81 Cb 0.56 -2.17 -0.04 0.00 -1.55 0.00 0.00 70.33 67.14 2kgl n THR 81 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kgl s VAL 82 N -1.49 0.00 -0.06 1.08 0.11 0.22 -1.78 120.40 118.48 2kgl s VAL 82 Ca 0.26 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.00 2kgl s VAL 82 Cb -0.03 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.73 2kgl s VAL 82 CO -0.16 0.00 1.99 -1.20 -3.33 0.00 0.00 175.10 172.40 2kgl n SER 83 N 0.30 3.71 -1.47 3.54 7.64 -1.26 -3.11 113.62 122.96 2kgl n SER 83 Ca -0.07 0.80 0.19 0.00 1.01 0.00 0.00 58.87 60.80 2kgl n SER 83 Cb 0.59 -1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 62.26 2kgl n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kgl n GLY 84 N 4.77 -2.66 0.00 0.23 0.00 -1.26 -4.60 105.19 101.67 2kgl n GLY 84 Ca 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -4.36 0.00 -4.45 1.61 4.05 -1.26 -4.81 115.26 106.04 2kgl n ASN 85 Ca -0.04 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.69 2kgl n ASN 85 Cb 0.69 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.64 2kgl n ASN 85 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2kgl n PRO 86 N -0.03 1.58 -0.34 1.20 -0.04 -1.26 -4.19 135.00 131.91 2kgl n PRO 86 Ca 0.00 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 2kgl n PRO 86 Cb 0.00 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 29.84 2kgl n PRO 86 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2kgl n THR 87 N 7.56 0.00 -0.32 0.52 -1.04 -1.26 -4.87 114.28 114.87 2kgl n THR 87 Ca 0.46 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.51 2kgl n THR 87 Cb 0.46 0.37 0.20 0.00 -1.82 0.00 0.00 70.33 69.54 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kgl h GLU 88 N 0.00 0.85 0.58 -2.82 4.11 -1.93 0.33 114.58 115.70 2kgl h GLU 88 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 2kgl h GLU 88 Cb 1.16 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.22 2kgl h GLU 88 CO 0.00 0.56 -0.28 -0.22 0.07 0.00 0.00 179.01 179.14 2kgl h LYS 89 N 0.87 -0.76 -0.68 1.06 3.64 -1.96 -3.13 116.57 115.61 2kgl h LYS 89 Ca 0.44 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 60.00 2kgl h LYS 89 Cb 0.43 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2kgl h LYS 89 CO -0.26 -0.46 0.46 0.93 -2.27 0.00 0.00 179.45 177.85 2kgl h GLU 90 N -1.13 0.40 -0.08 1.90 3.07 -1.88 -2.51 114.58 114.35 2kgl h GLU 90 Ca -0.08 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2kgl h GLU 90 Cb 0.64 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 28.40 2kgl h GLU 90 CO 0.13 0.27 -0.43 1.15 -1.40 0.00 0.00 179.01 178.73 2kgl h THR 91 N 0.42 0.13 -0.32 1.13 2.02 -0.29 0.16 112.91 116.16 2kgl h THR 91 Ca 0.33 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.60 2kgl h THR 91 Cb 0.70 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2kgl h THR 91 CO -0.10 0.00 0.27 -0.33 0.37 0.00 0.00 175.52 175.73 2kgl h GLU 92 N -0.53 0.00 0.00 6.66 5.08 -1.44 0.26 114.58 124.61 2kgl h GLU 92 Ca 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2kgl h GLU 92 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2kgl h GLU 92 CO -0.37 0.00 -0.29 0.93 -1.00 0.00 0.00 179.01 178.28 2kgl h GLU 93 N 0.00 0.00 -1.03 2.33 5.08 -0.75 -3.27 114.58 116.94 2kgl h GLU 93 Ca 0.15 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.79 2kgl h GLU 93 Cb 0.69 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 2kgl h GLU 93 CO -0.00 0.29 0.70 0.82 -1.00 0.00 0.00 179.01 179.81 2kgl h ILE 94 N 0.00 0.52 -0.52 3.13 1.08 0.20 0.31 117.51 122.23 2kgl h ILE 94 Ca -0.00 -0.08 -0.10 0.00 -0.39 0.00 0.00 64.86 64.29 2kgl h ILE 94 Cb 1.19 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 2kgl h ILE 94 CO 0.04 0.04 -0.08 0.00 -0.69 0.00 0.00 178.15 177.46 2kgl h THR 95 N 0.22 1.26 -0.11 -0.27 1.03 -1.68 0.27 112.91 113.64 2kgl h THR 95 Ca 0.54 -1.19 -0.05 0.00 -0.01 0.00 0.00 66.41 65.70 2kgl h THR 95 Cb 1.69 0.94 -0.00 0.00 -1.07 0.00 0.00 68.15 69.71 2kgl h THR 95 CO -0.15 0.42 -0.12 0.28 -0.01 0.00 0.00 175.52 175.94 2kgl h SER 96 N 0.85 0.29 0.52 0.00 0.02 -0.63 -3.16 113.55 111.44 2kgl h SER 96 Ca 0.14 -0.49 -0.11 0.00 -0.84 0.00 0.00 61.79 60.49 2kgl h SER 96 Cb 0.61 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 2kgl h SER 96 CO 0.04 0.73 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.86 2kgl h LEU 97 N -0.13 0.00 -1.24 5.07 3.38 -1.28 -3.02 115.31 118.10 2kgl h LEU 97 Ca 0.02 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2kgl h LEU 97 Cb 0.65 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2kgl h LEU 97 CO 0.03 0.52 0.56 -0.50 0.09 0.00 0.00 178.44 179.15 2kgl h TRP 98 N 0.00 0.90 -0.94 1.13 4.06 -0.41 -0.74 115.95 119.95 2kgl h TRP 98 Ca -0.01 0.02 0.21 0.00 2.06 0.00 0.00 58.89 61.18 2kgl h TRP 98 Cb 0.92 -0.29 -0.08 0.00 -1.00 0.00 0.00 29.16 28.72 2kgl h TRP 98 CO 0.00 0.40 0.61 1.96 -3.56 0.00 0.00 178.44 177.85 2kgl h GLN 99 N 0.82 0.44 0.34 0.49 4.20 -1.53 0.26 115.11 120.14 2kgl h GLN 99 Ca 0.41 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.08 2kgl h GLN 99 Cb 0.47 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2kgl h GLN 99 CO -0.17 0.29 -0.16 0.78 -0.67 0.00 0.00 178.83 178.90 2kgl h GLY 100 N 0.45 -0.47 1.07 3.46 0.00 -1.31 -3.13 103.07 103.15 2kgl h GLY 100 Ca 0.50 0.18 0.03 0.00 0.00 0.00 0.00 47.33 48.04 2kgl h GLY 100 CO -0.22 -0.17 0.55 1.48 0.00 0.00 0.00 176.54 178.18 2kgl h SER 101 N -0.99 0.89 -0.97 0.19 4.64 -1.39 -1.86 113.55 114.07 2kgl h SER 101 Ca -0.05 -0.01 0.14 0.00 -0.47 0.00 0.00 61.79 61.40 2kgl h SER 101 Cb 0.50 -0.21 -0.08 0.00 -0.31 0.00 0.00 62.40 62.30 2kgl h SER 101 CO 0.08 0.62 0.61 0.25 -0.87 0.00 0.00 176.83 177.52 2kgl h LEU 102 N 1.04 0.81 -1.23 5.97 5.85 -0.56 -0.17 115.31 127.02 2kgl h LEU 102 Ca 0.33 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.27 2kgl h LEU 102 Cb 0.02 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 2kgl h LEU 102 CO -0.09 0.40 0.60 0.15 -0.34 0.00 0.00 178.44 179.16 2kgl h PHE 103 N 0.86 0.86 -0.27 1.25 3.04 -1.27 0.24 116.94 121.65 2kgl h PHE 103 Ca 0.49 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.55 2kgl h PHE 103 Cb 0.63 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.87 2kgl h PHE 103 CO -0.00 0.26 0.29 -0.91 -2.02 0.00 0.00 178.31 175.93 2kgl h ASN 104 N 0.68 0.00 -0.75 0.41 4.21 -1.11 -3.45 115.58 115.57 2kgl h ASN 104 Ca 0.50 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.68 2kgl h ASN 104 Cb 0.85 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.93 2kgl h ASN 104 CO -0.25 0.00 -0.29 0.00 -1.29 0.00 0.00 177.43 175.59 2kgl n ALA 105 N -2.34 -0.24 -2.01 -0.83 0.00 0.86 -4.31 120.51 111.64 2kgl n ALA 105 Ca 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 53.44 53.73 2kgl n ALA 105 Cb 0.43 -1.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -0.86 -0.00 -3.55 0.00 2.85 -1.26 -4.76 115.26 107.67 2kgl n ASN 106 Ca -0.16 -1.52 -0.30 0.00 -0.11 0.00 0.00 54.58 52.49 2kgl n ASN 106 Cb 0.56 -0.10 0.27 0.00 1.24 0.00 0.00 39.78 41.76 2kgl n ASN 106 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2kgl s TYR 107 N 0.00 -0.27 -0.16 1.20 1.13 -1.26 -3.17 117.35 114.83 2kgl s TYR 107 Ca 0.01 0.54 -0.07 0.00 -1.41 0.00 0.00 57.07 56.13 2kgl s TYR 107 Cb 0.01 -3.10 0.06 0.00 -1.10 0.00 0.00 41.96 37.83 2kgl s TYR 107 CO -0.00 -4.62 0.36 0.34 -2.51 0.00 0.00 175.55 169.11 2kgl s ASP 108 N -3.42 -0.30 -0.17 -0.18 -1.08 -1.19 -4.58 116.67 105.74 2kgl s ASP 108 Ca 0.70 0.80 -0.08 0.00 -0.52 0.00 0.00 52.55 53.45 2kgl s ASP 108 Cb -0.12 0.81 0.07 0.00 -1.46 0.00 0.00 42.92 42.22 2kgl s ASP 108 CO 0.57 -0.20 0.39 0.68 0.52 0.00 0.00 175.17 177.13 2kgl s VAL 109 N 1.75 -0.32 0.02 1.11 -7.23 -1.26 -2.37 120.40 112.11 2kgl s VAL 109 Ca -0.07 0.14 0.05 0.00 -1.81 0.00 0.00 61.98 60.30 2kgl s VAL 109 Cb -0.10 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 2kgl s VAL 109 CO -0.11 0.06 -0.14 0.00 -0.31 0.00 0.00 175.10 174.60 2kgl s GLN 110 N 1.99 1.00 -0.05 4.82 1.03 -0.60 -4.64 119.66 123.21 2kgl s GLN 110 Ca -0.05 -0.66 0.06 0.00 0.04 0.00 0.00 55.36 54.75 2kgl s GLN 110 Cb -0.10 -0.99 -0.01 0.00 0.03 0.00 0.00 33.01 31.93 2kgl s GLN 110 CO -0.12 0.26 -0.25 -0.98 -2.54 0.00 0.00 175.29 171.65 2kgl s ARG 111 N -0.83 2.48 -0.04 9.60 1.70 -1.26 -2.92 118.95 127.68 2kgl s ARG 111 Ca 0.03 -0.91 -0.01 0.00 -0.47 0.00 0.00 55.73 54.38 2kgl s ARG 111 Cb -0.07 -2.14 0.03 0.00 -0.57 0.00 0.00 34.95 32.20 2kgl s ARG 111 CO 0.01 0.41 0.02 0.12 -1.08 0.00 0.00 175.30 174.77 2kgl s PHE 112 N -0.23 0.28 -0.11 5.89 2.19 -1.08 -4.66 117.98 120.25 2kgl s PHE 112 Ca -0.02 0.05 -0.00 0.00 0.33 0.00 0.00 56.93 57.29 2kgl s PHE 112 Cb -0.13 -0.48 0.03 0.00 -1.31 0.00 0.00 43.02 41.12 2kgl s PHE 112 CO 0.03 -0.18 -0.07 0.42 1.83 0.00 0.00 175.22 177.25 2kgl s ILE 113 N 1.50 0.98 -0.04 3.12 1.01 -1.26 -3.10 121.20 123.41 2kgl s ILE 113 Ca -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 2kgl s ILE 113 Cb -0.13 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.34 2kgl s ILE 113 CO -0.03 0.36 0.20 -0.69 0.00 0.00 0.00 174.94 174.78 2kgl s VAL 114 N 1.73 0.04 0.65 2.92 1.01 -0.93 -5.02 120.40 120.80 2kgl s VAL 114 Ca 0.05 -0.32 0.38 0.00 0.00 0.00 0.00 61.98 62.08 2kgl s VAL 114 Cb -0.13 -0.39 0.39 0.00 0.00 0.00 0.00 36.38 36.25 2kgl s VAL 114 CO -0.08 -0.18 2.20 1.23 0.00 0.00 0.00 175.10 178.27 2kgl h GLY 115 N 4.98 0.00 0.98 4.51 0.00 -2.05 -1.53 103.07 109.95 2kgl h GLY 115 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 2kgl h GLY 115 CO 0.39 0.00 -1.25 1.76 0.00 0.00 0.00 176.54 177.44 2kgl h SER 116 N 0.00 0.67 -5.67 0.19 0.02 -2.04 -3.50 113.55 103.22 2kgl h SER 116 Ca 0.01 -0.93 0.29 0.00 -0.84 0.00 0.00 61.79 60.32 2kgl h SER 116 Cb 0.26 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 62.50 2kgl h SER 116 CO -0.00 1.60 0.76 1.51 -1.14 0.00 0.00 176.83 179.56 2kgl s ASP 117 N -7.31 -0.05 -0.05 3.07 -4.77 -0.58 -4.70 116.67 102.28 2kgl s ASP 117 Ca -0.12 -0.26 0.02 0.00 -3.30 0.00 0.00 52.55 48.89 2kgl s ASP 117 Cb 0.03 0.25 0.01 0.00 -1.09 0.00 0.00 42.92 42.12 2kgl s ASP 117 CO 0.89 -0.48 -0.11 -0.60 0.70 0.00 0.00 175.17 175.56 2kgl s ARG 118 N -2.43 1.42 -0.08 2.11 3.00 -1.18 -2.19 118.95 119.60 2kgl s ARG 118 Ca 0.18 -0.38 0.01 0.00 -1.00 0.00 0.00 55.73 54.54 2kgl s ARG 118 Cb 0.02 -1.23 0.02 0.00 0.00 0.00 0.00 34.95 33.76 2kgl s ARG 118 CO -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 175.30 175.27 2kgl s ALA 119 N 0.49 1.14 0.03 6.12 0.00 -1.18 -0.61 121.76 127.75 2kgl s ALA 119 Ca -0.10 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2kgl s ALA 119 Cb -0.13 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2kgl s ALA 119 CO 0.02 -0.13 -0.14 -1.50 0.00 0.00 0.00 175.76 174.01 2kgl s ILE 120 N 1.16 1.10 -0.04 0.00 -1.16 -0.95 -2.64 121.20 118.68 2kgl s ILE 120 Ca -0.06 -0.91 -0.01 0.00 -0.51 0.00 0.00 60.65 59.16 2kgl s ILE 120 Cb -0.14 -0.98 0.03 0.00 0.61 0.00 0.00 42.46 41.98 2kgl s ILE 120 CO -0.02 0.07 0.06 0.12 -2.81 0.00 0.00 174.94 172.36 2kgl s PHE 121 N -0.74 0.00 -0.16 3.50 5.36 -1.15 -3.09 117.98 121.70 2kgl s PHE 121 Ca 0.02 0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 56.16 2kgl s PHE 121 Cb -0.07 -0.29 0.06 0.00 -0.34 0.00 0.00 43.02 42.38 2kgl s PHE 121 CO 0.01 -0.14 0.37 0.00 -1.46 0.00 0.00 175.22 174.00 2kgl s MET 122 N 1.48 0.32 -0.01 10.12 0.23 -0.99 -1.55 119.30 128.90 2kgl s MET 122 Ca -0.04 0.79 -0.16 0.00 -1.03 0.00 0.00 55.69 55.25 2kgl s MET 122 Cb -0.12 0.03 0.03 0.00 -1.53 0.00 0.00 34.83 33.23 2kgl s MET 122 CO -0.04 -0.19 0.34 -1.17 -2.03 0.00 0.00 175.02 171.93 2kgl s LEU 123 N 1.74 0.74 0.47 0.18 2.96 -1.00 -1.77 118.68 122.01 2kgl s LEU 123 Ca -0.07 0.10 0.26 0.00 -0.22 0.00 0.00 54.13 54.20 2kgl s LEU 123 Cb -0.10 1.37 1.30 0.00 0.50 0.00 0.00 46.19 49.26 2kgl s LEU 123 CO -0.12 -0.48 1.82 -0.09 -1.32 0.00 0.00 176.35 176.17 2kgl h ARG 124 N 3.73 0.20 -6.36 1.98 2.43 -1.87 -3.14 114.38 111.36 2kgl h ARG 124 Ca -0.30 -0.01 -0.50 0.00 -0.81 0.00 0.00 59.98 58.36 2kgl h ARG 124 Cb 1.18 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2kgl h ARG 124 CO 0.41 0.13 -0.22 -0.51 -1.51 0.00 0.00 179.97 178.27 2kgl s ASP 125 N -5.41 5.09 0.00 -3.80 1.01 -1.26 -4.04 116.67 108.26 2kgl s ASP 125 Ca -0.07 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.35 2kgl s ASP 125 Cb 0.23 -0.01 0.00 0.00 1.01 0.00 0.00 42.92 44.15 2kgl s ASP 125 CO 0.79 -1.06 0.00 0.61 0.21 0.00 0.00 175.17 175.73 2kgl n GLY 126 N -1.94 0.00 0.26 0.21 0.00 -1.19 -3.42 105.19 99.12 2kgl n GLY 126 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.51 0.31 1.61 0.87 -1.95 0.25 113.55 114.14 2kgl h SER 127 Ca 0.00 -0.03 -0.12 0.00 -1.23 0.00 0.00 61.79 60.41 2kgl h SER 127 Cb 0.68 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2kgl h SER 127 CO 0.00 -0.30 -0.49 1.88 -0.53 0.00 0.00 176.83 177.39 2kgl h TYR 128 N -0.69 0.25 -0.14 2.24 0.05 -2.00 -2.96 116.97 113.72 2kgl h TYR 128 Ca -0.06 -0.08 -0.13 0.00 0.05 0.00 0.00 58.73 58.51 2kgl h TYR 128 Cb 0.51 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 2kgl h TYR 128 CO -0.03 0.66 -0.47 0.00 -1.05 0.00 0.00 178.16 177.27 2kgl h ALA 129 N 1.33 0.93 -0.51 3.88 0.00 -1.75 -2.58 119.26 120.57 2kgl h ALA 129 Ca 0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2kgl h ALA 129 Cb 0.92 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2kgl h ALA 129 CO 0.07 0.65 0.21 2.35 0.00 0.00 0.00 179.25 182.53 2kgl h TRP 130 N 0.29 0.77 0.43 0.00 -0.00 -0.32 0.24 115.95 117.35 2kgl h TRP 130 Ca 0.02 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.83 2kgl h TRP 130 Cb 0.94 -0.23 0.00 0.00 -0.00 0.00 0.00 29.16 29.87 2kgl h TRP 130 CO 0.03 0.63 -0.20 0.93 -0.00 0.00 0.00 178.44 179.82 2kgl h GLU 131 N 0.68 -0.55 -0.33 2.65 4.39 -1.49 -3.09 114.58 116.84 2kgl h GLU 131 Ca 0.17 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.92 2kgl h GLU 131 Cb 0.19 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2kgl h GLU 131 CO -0.01 -0.25 0.22 0.82 -1.16 0.00 0.00 179.01 178.63 2kgl h ILE 132 N -0.89 1.06 0.20 3.13 1.08 -1.46 -2.93 117.51 117.70 2kgl h ILE 132 Ca -0.06 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2kgl h ILE 132 Cb 0.56 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 2kgl h ILE 132 CO 0.10 0.07 -0.53 0.50 -0.69 0.00 0.00 178.15 177.61 2kgl h LYS 133 N 0.41 -0.78 -0.95 2.37 1.63 -0.44 0.27 116.57 119.09 2kgl h LYS 133 Ca 0.12 0.05 0.19 0.00 -0.85 0.00 0.00 60.65 60.17 2kgl h LYS 133 Cb 0.00 0.18 -0.08 0.00 -0.60 0.00 0.00 32.23 31.73 2kgl h LYS 133 CO -0.03 -0.52 0.61 -0.44 -3.45 0.00 0.00 179.45 175.62 2kgl h ASP 134 N -0.81 0.58 0.00 4.20 5.19 -1.45 0.14 116.42 124.27 2kgl h ASP 134 Ca -0.02 0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 2kgl h ASP 134 Cb 0.79 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 2kgl h ASP 134 CO -0.25 0.23 -0.45 -0.26 -3.12 0.00 0.00 179.24 175.39 2kgl h PHE 135 N 0.57 0.65 0.66 4.55 -1.00 -1.17 -2.83 116.94 118.37 2kgl h PHE 135 Ca 0.51 -0.20 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 2kgl h PHE 135 Cb 1.03 -0.13 0.01 0.00 3.61 0.00 0.00 35.95 40.46 2kgl h PHE 135 CO -0.00 0.90 -0.31 1.25 -1.61 0.00 0.00 178.31 178.53 2kgl h LEU 136 N 0.43 -0.75 -1.99 1.54 6.46 0.23 -2.59 115.31 118.64 2kgl h LEU 136 Ca 0.03 -0.01 0.18 0.00 -0.12 0.00 0.00 57.88 57.95 2kgl h LEU 136 Cb 0.96 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.06 2kgl h LEU 136 CO 0.09 -0.43 0.45 1.62 -0.62 0.00 0.00 178.44 179.55 2kgl h VAL 137 N -1.06 0.69 -0.01 1.05 3.04 -1.42 0.25 116.25 118.80 2kgl h VAL 137 Ca -0.09 -0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.49 2kgl h VAL 137 Cb 0.71 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 2kgl h VAL 137 CO 0.15 0.00 -0.48 0.28 -1.01 0.00 0.00 177.57 176.51 2kgl h SER 138 N 0.01 0.02 0.65 3.17 0.02 -1.25 -3.23 113.55 112.94 2kgl h SER 138 Ca 0.30 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2kgl h SER 138 Cb 1.18 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 2kgl h SER 138 CO -0.01 0.50 -0.31 -0.61 -1.14 0.00 0.00 176.83 175.26 2kgl h GLN 139 N 0.01 -0.85 -2.23 3.45 5.75 -0.12 -3.47 115.11 117.66 2kgl h GLN 139 Ca -0.00 0.06 -0.35 0.00 -0.15 0.00 0.00 58.65 58.21 2kgl h GLN 139 Cb 0.86 0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 2kgl h GLN 139 CO 0.06 -0.53 -0.43 -3.47 -2.65 0.00 0.00 178.83 171.81 2kgl n ASP 140 N -5.43 -5.10 -2.66 -0.69 2.03 -1.20 -4.83 116.55 98.68 2kgl n ASP 140 Ca -0.13 0.05 -0.03 0.00 0.52 0.00 0.00 54.79 55.20 2kgl n ASP 140 Cb 0.37 -4.18 0.07 0.00 -0.72 0.00 0.00 41.12 36.66 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 -2.64 0.20 -3.83 -0.67 0.63 -0.73 -4.84 116.66 104.77 2kgl n ARG 141 Ca -0.20 -0.75 -0.12 0.00 -0.92 0.00 0.00 57.85 55.85 2kgl n ARG 141 Cb 0.64 -0.13 -0.11 0.00 0.45 0.00 0.00 32.46 33.32 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 -0.66 0.32 -0.15 0.00 0.00 -1.26 -0.42 121.76 119.59 2kgl s ALA 143 Ca -0.08 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.90 2kgl s ALA 143 Cb -0.04 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.48 2kgl s ALA 143 CO 0.01 -0.48 0.39 -1.21 0.00 0.00 0.00 175.76 174.47 2kgl s GLU 144 N 2.12 0.41 -0.08 0.00 2.02 0.87 -4.06 118.70 119.98 2kgl s GLU 144 Ca 0.05 0.65 -0.09 0.00 0.02 0.00 0.00 54.97 55.59 2kgl s GLU 144 Cb -0.12 0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.22 2kgl s GLU 144 CO -0.03 -0.11 0.25 0.14 0.02 0.00 0.00 175.26 175.53 2kgl s VAL 145 N 0.80 0.01 -0.06 2.63 -7.23 -1.26 -0.58 120.40 114.71 2kgl s VAL 145 Ca -0.05 -0.11 -0.03 0.00 -1.81 0.00 0.00 61.98 59.99 2kgl s VAL 145 Cb -0.06 -0.39 0.04 0.00 0.56 0.00 0.00 36.38 36.52 2kgl s VAL 145 CO -0.06 -0.06 0.09 0.42 -0.31 0.00 0.00 175.10 175.18 2kgl s THR 146 N -0.15 -0.16 -0.04 5.32 -4.23 -0.21 -4.57 115.64 111.60 2kgl s THR 146 Ca -0.03 0.39 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 2kgl s THR 146 Cb -0.03 -0.21 0.03 0.00 1.34 0.00 0.00 72.50 73.64 2kgl s THR 146 CO 0.01 0.16 0.06 -0.22 -0.54 0.00 0.00 174.62 174.09 2kgl s LEU 147 N 2.21 0.15 0.39 4.79 0.20 -1.26 -3.20 118.68 121.96 2kgl s LEU 147 Ca 0.04 0.07 0.05 0.00 0.69 0.00 0.00 54.13 54.99 2kgl s LEU 147 Cb -0.12 -0.15 -0.02 0.00 -0.43 0.00 0.00 46.19 45.47 2kgl s LEU 147 CO -0.04 -0.25 0.18 -1.61 -0.29 0.00 0.00 176.35 174.34 2kgl s GLU 148 N 2.17 1.90 0.00 1.98 0.41 -1.26 -5.04 118.70 118.85 2kgl s GLU 148 Ca 0.05 -2.15 0.00 0.00 -0.41 0.00 0.00 54.97 52.46 2kgl s GLU 148 Cb -0.12 -0.31 0.00 0.00 -1.78 0.00 0.00 34.13 31.92 2kgl s GLU 148 CO -0.03 -0.55 0.78 0.41 -0.49 0.00 0.00 175.26 175.38 2kgl n GLY 149 N -0.84 0.36 0.00 -1.39 0.00 -1.26 -4.60 105.19 97.45 2kgl n GLY 149 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 0.00 1.61 1.13 -1.26 -4.80 117.38 114.06 2kgl n GLN 150 Ca -0.21 0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2kgl n GLN 150 Cb 0.60 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 -1.10 0.00 -3.31 -1.09 1.56 -1.26 -4.98 117.12 106.94 2kgl n MET 151 Ca 0.00 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.17 2kgl n MET 151 Cb 0.00 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.30 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2kgl n TYR 152 N 0.00 3.17 -1.59 1.12 4.01 -0.88 -4.98 117.16 118.02 2kgl n TYR 152 Ca 0.00 -4.06 -0.32 0.00 -0.16 0.00 0.00 57.90 53.36 2kgl n TYR 152 Cb 0.00 -0.52 0.06 0.00 -0.31 0.00 0.00 39.34 38.57 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kgl s PRO 153 N -2.49 2.61 0.00 -0.72 0.04 -0.49 -3.18 135.00 130.78 2kgl s PRO 153 Ca 0.41 1.32 0.27 0.00 0.04 0.00 0.00 61.00 63.03 2kgl s PRO 153 Cb 0.18 -1.93 0.88 0.00 0.04 0.00 0.00 34.50 33.66 2kgl s PRO 153 CO -0.04 -1.39 1.68 0.41 0.04 0.00 0.00 177.00 177.70 2kgl n GLY 154 N -0.76 -1.38 0.22 0.56 0.00 -1.26 -4.02 105.19 98.55 2kgl n GLY 154 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.90 2kgl n GLY 154 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kgl h LYS 155 N 0.00 0.21 0.00 1.61 3.64 -1.93 -3.42 116.57 116.68 2kgl h LYS 155 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2kgl h LYS 155 Cb 0.50 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2kgl h LYS 155 CO 0.00 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 2kgl n GLY 156 N -1.32 0.24 0.00 5.01 0.00 -1.26 -4.83 105.19 103.04 2kgl n GLY 156 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.44 0.00 -0.02 0.00 -1.26 -4.84 105.19 99.52 2kgl n GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.49 0.07 -0.02 0.00 -1.26 -4.93 105.19 100.53 2kgl n GLY 158 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2kgl n GLY 158 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kgl h SER 159 N 0.00 -0.01 -5.12 1.61 4.64 -1.96 -3.49 113.55 109.22 2kgl h SER 159 Ca 0.00 -0.55 0.01 0.00 -0.47 0.00 0.00 61.79 60.78 2kgl h SER 159 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.02 2kgl h SER 159 CO 0.00 0.75 -1.32 0.29 -0.87 0.00 0.00 176.83 175.69 2kgl n LYS 160 N -4.70 -4.03 0.00 4.77 5.02 -1.26 -4.98 118.16 112.97 2kgl n LYS 160 Ca -0.06 3.11 0.00 0.00 -2.02 0.00 0.00 58.31 59.34 2kgl n LYS 160 Cb 0.27 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2kgl n GLU 161 N 1.32 0.00 -3.57 1.97 4.07 -1.25 -5.01 120.64 118.17 2kgl n GLU 161 Ca -0.24 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.63 2kgl n GLU 161 Cb 0.38 -0.78 0.05 0.00 -0.06 0.00 0.00 31.44 31.02 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 -2.41 -2.72 -4.56 5.31 4.81 -1.21 -4.98 118.16 112.40 2kgl n LYS 162 Ca 0.00 0.62 -0.33 0.00 -0.87 0.00 0.00 58.31 57.73 2kgl n LYS 162 Cb 0.39 -4.94 -0.13 0.00 0.02 0.00 0.00 35.03 30.36 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kgl s ASN 163 N -3.74 4.35 0.35 3.14 0.01 -1.26 -4.99 114.94 112.80 2kgl s ASN 163 Ca 0.32 -0.25 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 2kgl s ASN 163 Cb -0.08 -1.69 -0.06 0.00 0.41 0.00 0.00 41.25 39.83 2kgl s ASN 163 CO 0.81 0.15 0.66 -1.59 -1.51 0.00 0.00 177.10 175.63 2kgl s LYS 164 N 0.43 3.69 -0.06 -0.60 -2.85 -1.26 -4.03 119.74 115.06 2kgl s LYS 164 Ca -0.07 0.21 -0.14 0.00 -1.00 0.00 0.00 55.97 54.97 2kgl s LYS 164 Cb -0.15 -2.52 0.03 0.00 -2.06 0.00 0.00 37.83 33.13 2kgl s LYS 164 CO 0.04 0.08 0.34 -0.08 0.10 0.00 0.00 175.35 175.82 2kgl s THR 165 N -2.25 0.03 -0.10 3.79 -1.32 -1.26 -5.04 115.64 109.50 2kgl s THR 165 Ca 0.47 -0.29 -0.07 0.00 -1.21 0.00 0.00 61.69 60.59 2kgl s THR 165 Cb -0.10 -0.58 -0.02 0.00 -1.51 0.00 0.00 72.50 70.28 2kgl s THR 165 CO 0.31 -0.16 -0.14 0.29 -2.21 0.00 0.00 174.62 172.71 2kgl n LYS 166 N 1.85 0.30 -0.09 7.08 4.01 -1.26 -3.57 118.16 126.49 2kgl n LYS 166 Ca -0.18 0.34 -0.12 0.00 -0.51 0.00 0.00 58.31 57.84 2kgl n LYS 166 Cb 0.57 -1.27 0.01 0.00 -0.51 0.00 0.00 35.03 33.82 2kgl n LYS 166 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2kgl h PRO 167 N -0.63 0.84 0.00 1.97 0.13 -2.03 -2.96 132.00 129.32 2kgl h PRO 167 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kgl h PRO 167 Cb 0.41 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2kgl h PRO 167 CO 0.00 1.08 0.00 1.49 -0.23 0.00 0.00 178.00 180.34 2kgl h GLU 168 N 0.68 0.00 -0.11 0.86 4.57 -1.99 -3.14 114.58 115.45 2kgl h GLU 168 Ca 0.05 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2kgl h GLU 168 Cb 0.97 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.50 2kgl h GLU 168 CO 0.09 0.00 -0.43 -0.22 -1.18 0.00 0.00 179.01 177.27 2kgl h LYS 169 N 0.00 -0.49 0.00 1.92 3.64 -1.57 -1.83 116.57 118.24 2kgl h LYS 169 Ca 0.00 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.24 2kgl h LYS 169 Cb 0.74 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2kgl h LYS 169 CO 0.00 -0.33 -0.82 0.00 -2.27 0.00 0.00 179.45 176.03 2kgl h ALA 170 N 0.07 0.48 -0.77 5.00 0.00 -1.72 -3.12 119.26 119.20 2kgl h ALA 170 Ca 0.07 -0.75 0.14 0.00 0.00 0.00 0.00 54.91 54.38 2kgl h ALA 170 Cb 0.63 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2kgl h ALA 170 CO -0.39 1.03 0.32 -0.22 0.00 0.00 0.00 179.25 179.99 2kgl h LYS 171 N 0.00 0.45 0.17 0.00 3.64 -1.36 0.17 116.57 119.63 2kgl h LYS 171 Ca -0.01 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.05 2kgl h LYS 171 Cb 1.62 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.35 2kgl h LYS 171 CO 0.11 0.30 -1.31 -0.22 -2.27 0.00 0.00 179.45 176.06 2kgl h LYS 172 N 0.47 0.35 -0.28 1.90 3.11 -1.43 -2.99 116.57 117.70 2kgl h LYS 172 Ca 0.42 -0.60 0.02 0.00 -2.81 0.00 0.00 60.65 57.68 2kgl h LYS 172 Cb 0.64 0.22 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 2kgl h LYS 172 CO -0.40 1.29 0.13 -0.22 -2.81 0.00 0.00 179.45 177.44 2kgl h LYS 173 N 0.10 0.27 0.76 1.90 1.63 -1.21 -3.19 116.57 116.83 2kgl h LYS 173 Ca -0.17 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.58 2kgl h LYS 173 Cb 2.03 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 33.61 2kgl h LYS 173 CO 0.23 0.18 -0.36 1.49 -3.45 0.00 0.00 179.45 177.53 2kgl h GLU 174 N 0.28 -0.98 -0.11 1.90 4.81 -0.82 -3.47 114.58 116.18 2kgl h GLU 174 Ca 0.12 0.07 0.28 0.00 -0.13 0.00 0.00 59.36 59.69 2kgl h GLU 174 Cb 0.05 0.22 -0.24 0.00 0.63 0.00 0.00 28.75 29.42 2kgl h GLU 174 CO -0.09 -0.65 0.38 0.20 -0.73 0.00 0.00 179.01 178.12 2kgl s GLY 175 N -2.38 0.05 0.08 1.92 0.00 -1.13 -4.01 107.32 101.85 2kgl s GLY 175 Ca -0.15 3.33 -0.34 0.00 0.00 0.00 0.00 44.72 47.56 2kgl s GLY 175 CO 0.45 3.73 1.53 -0.55 0.00 0.00 0.00 173.10 178.27 2kgl h ASP 176 N 7.63 -1.33 -0.06 1.64 5.19 -1.70 0.24 116.42 128.03 2kgl h ASP 176 Ca -0.11 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2kgl h ASP 176 Cb 1.16 0.44 -0.00 0.00 0.18 0.00 0.00 39.33 41.10 2kgl h ASP 176 CO -0.11 -0.65 -0.06 1.55 -3.12 0.00 0.00 179.24 176.85 2kgl h PRO 177 N -0.98 0.14 -2.71 3.56 0.13 -1.92 -3.39 132.00 126.82 2kgl h PRO 177 Ca -0.06 -0.07 -0.61 0.00 -0.87 0.00 0.00 66.00 64.39 2kgl h PRO 177 Cb 0.85 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.57 2kgl h PRO 177 CO -0.05 0.59 -0.73 1.63 -0.23 0.00 0.00 178.00 179.21 2kgl n LYS 178 N -4.74 1.35 -1.83 0.86 4.76 -1.22 -4.85 118.16 112.48 2kgl n LYS 178 Ca -0.08 -4.04 -0.32 0.00 -2.87 0.00 0.00 58.31 51.00 2kgl n LYS 178 Cb 0.29 -2.04 -0.06 0.00 -1.84 0.00 0.00 35.03 31.39 2kgl n LYS 178 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2kgl n PRO 179 N 2.07 1.56 -0.96 1.97 -0.04 0.84 -3.78 135.00 136.66 2kgl n PRO 179 Ca 0.24 -2.31 -0.00 0.00 -0.04 0.00 0.00 63.50 61.39 2kgl n PRO 179 Cb 0.41 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 2kgl n PRO 179 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kgl n ARG 180 N 7.97 0.01 -0.02 0.54 0.00 -1.26 -4.83 116.66 119.07 2kgl n ARG 180 Ca 0.46 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.85 58.27 2kgl n ARG 180 Cb 0.45 0.28 -0.01 0.00 0.00 0.00 0.00 32.46 33.17 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kgl n ALA 181 N -0.01 2.41 -0.35 5.13 0.00 -1.25 -4.67 120.51 121.77 2kgl n ALA 181 Ca -0.00 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.42 2kgl n ALA 181 Cb 0.37 0.44 0.31 0.00 0.00 0.00 0.00 19.45 20.57 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 -0.07 0.82 -0.89 0.00 0.87 -1.90 0.24 113.55 112.62 2kgl h SER 182 Ca -0.08 0.09 0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2kgl h SER 182 Cb 1.09 -0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.91 2kgl h SER 182 CO -0.03 0.32 0.54 0.11 -0.53 0.00 0.00 176.83 177.24 2kgl h LYS 183 N 0.82 0.90 0.00 2.24 1.79 -1.92 0.24 116.57 120.64 2kgl h LYS 183 Ca 0.56 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2kgl h LYS 183 Cb 0.81 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2kgl h LYS 183 CO -0.36 0.59 -0.00 0.93 -1.08 0.00 0.00 179.45 179.54 2kgl h GLU 184 N 0.92 -0.00 0.04 3.15 5.08 -1.22 -3.13 114.58 119.42 2kgl h GLU 184 Ca 0.41 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.80 2kgl h GLU 184 Cb 0.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2kgl h GLU 184 CO -0.22 0.89 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.88 2kgl h ASP 185 N -0.99 -1.08 -0.96 1.42 3.32 -0.48 -1.57 116.42 116.09 2kgl h ASP 185 Ca -0.00 0.13 0.17 0.00 0.02 0.00 0.00 57.03 57.35 2kgl h ASP 185 Cb 0.89 0.42 -0.10 0.00 0.22 0.00 0.00 39.33 40.76 2kgl h ASP 185 CO 0.00 -0.42 0.57 -1.13 -1.72 0.00 0.00 179.24 176.53 2kgl h ASN 186 N -0.54 0.74 -0.72 6.45 -1.24 -0.68 0.17 115.58 119.76 2kgl h ASN 186 Ca 0.05 0.09 0.18 0.00 0.71 0.00 0.00 56.30 57.33 2kgl h ASN 186 Cb 0.61 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.57 2kgl h ASN 186 CO -0.26 0.30 0.50 -0.09 -1.29 0.00 0.00 177.43 176.59 2kgl h ARG 187 N 0.77 0.16 0.00 6.67 2.43 -1.22 -3.01 114.38 120.17 2kgl h ARG 187 Ca 0.53 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2kgl h ARG 187 Cb 0.76 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2kgl h ARG 187 CO -0.36 0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.21 2kgl n ALA 188 N -2.61 -0.21 0.00 2.80 0.00 0.59 -4.96 120.51 116.12 2kgl n ALA 188 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2kgl n ALA 188 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 0.59 3.23 0.00 0.00 0.00 -1.14 -3.21 105.19 104.66 2kgl n GLY 189 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 1.99 -2.53 1.61 2.88 -1.26 -2.68 113.62 113.63 2kgl n SER 190 Ca 0.00 -0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 56.55 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -2.88 -4.43 -1.46 0.63 -1.26 -3.72 116.66 103.53 2kgl n ARG 191 Ca 0.00 2.39 -0.40 0.00 -0.92 0.00 0.00 57.85 58.92 2kgl n ARG 191 Cb 0.00 -4.72 -0.08 0.00 0.45 0.00 0.00 32.46 28.11 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 0.51 -0.76 0.04 -0.14 1.85 -1.26 -4.73 116.66 112.18 2kgl n ARG 192 Ca 0.01 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 2kgl n ARG 192 Cb 0.03 -4.40 0.00 0.00 -1.05 0.00 0.00 32.46 27.04 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 -3.74 2.89 2.13 -1.24 -5.05 120.64 111.57 2kgl n GLU 193 Ca 0.04 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.63 2kgl n GLU 193 Cb 0.48 -0.26 0.02 0.00 0.27 0.00 0.00 31.44 31.95 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kgl n ASP 194 N -3.14 -1.88 -0.57 4.31 2.03 -1.09 -4.99 116.55 111.22 2kgl n ASP 194 Ca 0.00 -0.90 0.07 0.00 0.52 0.00 0.00 54.79 54.48 2kgl n ASP 194 Cb 0.00 -3.74 0.06 0.00 -0.72 0.00 0.00 41.12 36.72 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17