#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 6.63 0.15 0.00 -4.77 -1.26 -4.99 116.67 112.42 2kgl s ASP 2 Ca 0.00 1.82 -0.02 0.00 -3.30 0.00 0.00 52.55 51.04 2kgl s ASP 2 Cb 0.00 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.23 2kgl s ASP 2 CO 0.00 -0.58 0.35 0.42 0.70 0.00 0.00 175.17 176.06 2kgl s THR 3 N -2.07 5.22 0.14 2.11 -4.23 -1.26 -5.11 115.64 110.44 2kgl s THR 3 Ca 0.65 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 2kgl s THR 3 Cb -0.13 -3.67 0.03 0.00 1.34 0.00 0.00 72.50 70.08 2kgl s THR 3 CO 0.17 -0.02 0.12 -0.81 -0.54 0.00 0.00 174.62 173.54 2kgl n PRO 4 N -0.16 -1.28 -2.77 3.99 -0.04 -1.26 -5.08 135.00 128.40 2kgl n PRO 4 Ca -0.04 -0.20 -0.02 0.00 -0.04 0.00 0.00 63.50 63.21 2kgl n PRO 4 Cb 0.52 -0.19 0.02 0.00 -0.04 0.00 0.00 33.50 33.81 2kgl n PRO 4 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kgl s GLY 5 N -2.71 -1.63 0.00 0.55 0.00 -1.26 -5.03 107.32 97.24 2kgl s GLY 5 Ca 0.08 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.29 2kgl s GLY 5 CO 0.06 4.11 0.00 -2.21 0.00 0.00 0.00 173.10 175.06 2kgl n GLU 6 N 3.10 0.00 -1.07 2.90 2.13 -1.26 -4.76 120.64 121.68 2kgl n GLU 6 Ca 0.11 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.83 2kgl n GLU 6 Cb 0.62 -0.74 0.27 0.00 0.27 0.00 0.00 31.44 31.85 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 -2.39 4.85 -1.77 4.31 0.00 -1.26 -4.99 120.51 119.26 2kgl n ALA 7 Ca 0.00 -2.55 -0.39 0.00 0.00 0.00 0.00 53.44 50.51 2kgl n ALA 7 Cb 0.37 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N -3.10 3.07 0.96 0.00 -1.32 -1.26 -5.02 115.64 108.98 2kgl s THR 8 Ca 0.55 0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 61.83 2kgl s THR 8 Cb 0.45 -3.52 0.17 0.00 -1.51 0.00 0.00 72.50 68.09 2kgl s THR 8 CO 0.12 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.56 2kgl s PRO 9 N -2.25 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.26 2kgl s PRO 9 Ca 0.56 0.63 -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 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.73 2kgl s PRO 10 N -4.95 0.73 -1.06 0.56 0.04 -1.26 -4.88 135.00 124.18 2kgl s PRO 10 Ca 0.65 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2kgl s PRO 10 Cb -0.18 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 2kgl s PRO 10 CO 0.57 -2.56 1.93 -0.35 0.04 0.00 0.00 177.00 176.63 2kgl n PRO 11 N -4.07 1.55 0.16 0.56 -0.04 -1.26 -4.72 135.00 127.17 2kgl n PRO 11 Ca 0.06 -2.28 -0.11 0.00 -0.04 0.00 0.00 63.50 61.13 2kgl n PRO 11 Cb 0.56 -3.50 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 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 9.23 -0.45 0.00 0.54 3.08 -1.92 -3.40 114.38 121.46 2kgl h ARG 12 Ca 0.27 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2kgl h ARG 12 Cb 0.86 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2kgl h ARG 12 CO 1.43 -0.14 -0.80 1.63 -1.07 0.00 0.00 179.97 181.02 2kgl n LYS 13 N -5.10 2.28 -0.20 0.04 4.01 -1.26 -4.47 118.16 113.45 2kgl n LYS 13 Ca -0.08 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.73 2kgl n LYS 13 Cb 0.26 -0.90 0.10 0.00 -0.51 0.00 0.00 35.03 33.98 2kgl n LYS 13 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2kgl h LYS 14 N 0.00 0.13 -0.74 1.97 2.10 -1.83 -1.19 116.57 117.01 2kgl h LYS 14 Ca 0.00 -0.01 -0.48 0.00 -2.00 0.00 0.00 60.65 58.16 2kgl h LYS 14 Cb 0.80 -0.03 -0.28 0.00 -0.90 0.00 0.00 32.23 31.82 2kgl h LYS 14 CO 0.00 0.09 0.05 1.17 -2.00 0.00 0.00 179.45 178.76 2kgl n LYS 15 N -5.26 2.70 -0.07 0.07 4.81 -1.26 -2.08 118.16 117.07 2kgl n LYS 15 Ca 0.09 -3.52 -0.13 0.00 -0.87 0.00 0.00 58.31 53.88 2kgl n LYS 15 Cb 0.35 -2.14 -0.06 0.00 0.02 0.00 0.00 35.03 33.20 2kgl n LYS 15 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kgl n ASP 16 N -0.93 2.10 -2.57 3.14 -0.08 -0.45 -4.95 116.55 112.81 2kgl n ASP 16 Ca 0.48 0.04 -0.05 0.00 -1.51 0.00 0.00 54.79 53.75 2kgl n ASP 16 Cb 0.95 -0.32 -0.05 0.00 2.34 0.00 0.00 41.12 44.04 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 -3.25-13.05 -1.63 5.18 2.08 -1.21 -4.52 119.36 102.96 2kgl n ILE 17 Ca -0.28 2.85 -0.48 0.00 0.56 0.00 0.00 62.75 65.41 2kgl n ILE 17 Cb 0.75 -6.54 -0.05 0.00 -0.75 0.00 0.00 39.64 33.05 2kgl n ILE 17 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2kgl n ARG 18 N 1.72 1.93 -1.35 0.38 0.00 -1.26 0.03 116.66 118.11 2kgl n ARG 18 Ca -0.40 0.66 -0.12 0.00 -0.00 0.00 0.00 57.85 58.00 2kgl n ARG 18 Cb 0.61 -2.68 -0.05 0.00 0.00 0.00 0.00 32.46 30.34 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 7.91 -5.36 -4.25 6.15 2.03 -1.26 -1.12 116.55 120.65 2kgl n ASP 19 Ca 0.27 0.30 -0.38 0.00 0.52 0.00 0.00 54.79 55.50 2kgl n ASP 19 Cb 0.30 -3.91 -0.07 0.00 -0.72 0.00 0.00 41.12 36.72 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kgl n TYR 20 N -2.35 -1.06 0.00 -0.67 0.18 0.10 -3.81 117.16 109.56 2kgl n TYR 20 Ca -0.12 0.62 0.00 0.00 1.88 0.00 0.00 57.90 60.28 2kgl n TYR 20 Cb 0.55 -1.75 0.00 0.00 -0.38 0.00 0.00 39.34 37.75 2kgl n TYR 20 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kgl n ASN 21 N -2.18 0.00 0.32 9.48 3.02 -1.17 -4.94 115.26 119.79 2kgl n ASN 21 Ca 0.08 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.84 2kgl n ASN 21 Cb 0.43 0.00 1.13 0.00 -0.61 0.00 0.00 39.78 40.73 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2kgl h ASP 22 N 0.00 0.00 -0.57 6.41 1.82 -1.63 -2.76 116.42 119.69 2kgl h ASP 22 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.75 2kgl h ASP 22 Cb 0.00 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 39.90 2kgl h ASP 22 CO 0.00 0.00 -0.15 0.00 -1.61 0.00 0.00 179.24 177.48 2kgl h ALA 23 N 1.94 0.36 -0.87 -0.78 0.00 -1.44 0.21 119.26 118.68 2kgl h ALA 23 Ca 0.00 0.22 0.15 0.00 0.00 0.00 0.00 54.91 55.28 2kgl h ALA 23 Cb 0.06 0.46 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2kgl h ALA 23 CO 0.00 -0.45 0.57 0.38 0.00 0.00 0.00 179.25 179.75 2kgl h ASP 24 N -0.01 0.60 -0.37 0.00 2.03 -1.80 -1.16 116.42 115.71 2kgl h ASP 24 Ca 0.27 0.04 -0.00 0.00 -0.73 0.00 0.00 57.03 56.61 2kgl h ASP 24 Cb 0.43 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.83 2kgl h ASP 24 CO -0.60 0.30 0.21 0.24 -1.03 0.00 0.00 179.24 178.37 2kgl h MET 25 N 0.63 0.50 -1.02 4.15 2.86 -0.76 -2.32 114.93 118.98 2kgl h MET 25 Ca 0.44 -0.05 0.26 0.00 -2.06 0.00 0.00 59.70 58.29 2kgl h MET 25 Cb 0.77 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.25 2kgl h MET 25 CO -0.19 0.39 0.68 0.00 1.06 0.00 0.00 176.91 178.85 2kgl h ALA 26 N 1.08 2.44 -0.78 6.32 0.00 -0.82 0.27 119.26 127.78 2kgl h ALA 26 Ca 0.13 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.18 2kgl h ALA 26 Cb 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2kgl h ALA 26 CO -0.02 -0.80 0.51 -0.09 0.00 0.00 0.00 179.25 178.85 2kgl h ARG 27 N 0.29 0.59 -0.75 0.00 1.12 -1.38 -0.29 114.38 113.96 2kgl h ARG 27 Ca 0.54 -0.04 0.10 0.00 -1.11 0.00 0.00 59.98 59.47 2kgl h ARG 27 Cb 1.58 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 31.36 2kgl h ARG 27 CO -0.19 0.39 0.49 1.37 -3.11 0.00 0.00 179.97 178.92 2kgl h LEU 28 N 0.60 0.59 -1.88 3.80 8.10 -0.56 0.43 115.31 126.39 2kgl h LEU 28 Ca 0.37 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 58.36 2kgl h LEU 28 Cb 0.61 -0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2kgl h LEU 28 CO -0.14 0.35 -0.08 0.25 -4.11 0.00 0.00 178.44 174.72 2kgl h LEU 29 N 0.66 0.00 -0.78 0.17 5.85 -1.15 -1.67 115.31 118.38 2kgl h LEU 29 Ca 0.34 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.94 2kgl h LEU 29 Cb 0.47 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2kgl h LEU 29 CO -0.12 0.08 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.24 2kgl h GLU 30 N 0.00 0.30 -0.96 1.25 4.39 -0.96 -3.05 114.58 115.55 2kgl h GLU 30 Ca -0.00 -0.17 0.13 0.00 0.34 0.00 0.00 59.36 59.67 2kgl h GLU 30 Cb 0.14 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.72 2kgl h GLU 30 CO 0.01 0.72 0.61 0.37 -1.16 0.00 0.00 179.01 179.56 2kgl h GLN 31 N 0.24 0.85 -0.53 2.33 5.75 -1.22 -1.66 115.11 120.87 2kgl h GLN 31 Ca 0.01 -0.05 0.11 0.00 -0.15 0.00 0.00 58.65 58.57 2kgl h GLN 31 Cb 0.94 -0.19 -0.09 0.00 1.07 0.00 0.00 27.48 29.21 2kgl h GLN 31 CO 0.08 0.56 -0.03 -1.49 -2.65 0.00 0.00 178.83 175.29 2kgl h TRP 32 N 0.87 -0.10 -0.74 3.99 6.55 -1.60 0.41 115.95 125.33 2kgl h TRP 32 Ca 0.48 0.04 -0.05 0.00 0.95 0.00 0.00 58.89 60.31 2kgl h TRP 32 Cb 0.60 0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.99 2kgl h TRP 32 CO -0.00 -0.15 0.25 0.93 -1.05 0.00 0.00 178.44 178.41 2kgl h GLU 33 N 0.08 1.14 0.00 0.49 4.39 -1.47 -2.02 114.58 117.20 2kgl h GLU 33 Ca 0.26 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2kgl h GLU 33 Cb 0.41 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kgl h GLU 33 CO -0.47 0.96 0.00 -0.22 -1.16 0.00 0.00 179.01 178.12 2kgl h LYS 34 N 1.09 0.00 -1.06 2.33 1.63 -0.81 -3.14 116.57 116.61 2kgl h LYS 34 Ca 0.24 0.00 0.30 0.00 -0.85 0.00 0.00 60.65 60.34 2kgl h LYS 34 Cb 0.28 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 31.79 2kgl h LYS 34 CO -0.01 0.00 0.66 0.22 -3.45 0.00 0.00 179.45 176.86 2kgl h ASP 35 N 0.00 0.49 0.06 4.20 1.82 0.52 0.98 116.42 124.49 2kgl h ASP 35 Ca 0.00 0.13 -0.35 0.00 -0.39 0.00 0.00 57.03 56.41 2kgl h ASP 35 Cb 0.53 0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.56 2kgl h ASP 35 CO 0.00 0.01 -2.01 0.47 -1.61 0.00 0.00 179.24 176.10 2kgl n ASP 36 N -4.79 2.03 0.32 2.28 9.92 -1.19 -4.57 116.55 120.55 2kgl n ASP 36 Ca 0.29 0.19 -0.13 0.00 -0.53 0.00 0.00 54.79 54.61 2kgl n ASP 36 Cb 0.95 -0.79 -0.06 0.00 -0.64 0.00 0.00 41.12 40.58 2kgl n ASP 36 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2kgl h ASP 37 N -0.27 -0.71 -5.60 -2.24 5.19 -1.36 -3.48 116.42 107.94 2kgl h ASP 37 Ca -0.47 0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 55.84 2kgl h ASP 37 Cb 1.81 0.18 0.01 0.00 0.18 0.00 0.00 39.33 41.51 2kgl h ASP 37 CO -0.06 -0.43 -0.91 0.00 -3.12 0.00 0.00 179.24 174.73 2kgl n ILE 38 N -4.72 -2.24 -0.01 0.35 3.06 0.33 -4.96 119.36 111.18 2kgl n ILE 38 Ca -0.10 0.28 -0.01 0.00 -2.50 0.00 0.00 62.75 60.41 2kgl n ILE 38 Cb 0.33 -2.66 -0.00 0.00 0.54 0.00 0.00 39.64 37.85 2kgl n ILE 38 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2kgl n GLU 39 N 0.67 0.09 -1.88 9.51 1.02 -1.26 -5.11 120.64 123.66 2kgl n GLU 39 Ca -0.03 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2kgl n GLU 39 Cb 0.48 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kgl n GLU 40 N -2.89 0.61 0.00 3.49 2.13 -1.26 -5.04 120.64 117.67 2kgl n GLU 40 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2kgl n GLU 40 Cb 0.08 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.79 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 1.45 0.69 3.64 8.31 0.00 -1.26 -4.23 105.19 113.79 2kgl n GLY 41 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.84 -0.65 0.07 1.61 2.15 -1.26 -4.58 116.67 113.17 2kgl s ASP 42 Ca 0.00 1.19 -0.01 0.00 0.43 0.00 0.00 52.55 54.16 2kgl s ASP 42 Cb 0.00 1.22 -0.04 0.00 -0.30 0.00 0.00 42.92 43.80 2kgl s ASP 42 CO 0.00 -0.20 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.02 2kgl s LEU 43 N 0.63 2.41 0.08 -1.34 1.43 -1.26 -4.93 118.68 115.70 2kgl s LEU 43 Ca -0.01 -1.03 -0.16 0.00 -1.03 0.00 0.00 54.13 51.90 2kgl s LEU 43 Cb -0.05 0.18 -0.10 0.00 0.03 0.00 0.00 46.19 46.25 2kgl s LEU 43 CO -0.06 -0.60 1.40 1.55 0.23 0.00 0.00 176.35 178.87 2kgl h PRO 44 N 3.09 0.61 -5.47 1.29 0.13 -2.03 -3.49 132.00 126.13 2kgl h PRO 44 Ca -0.34 -0.32 -0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2kgl h PRO 44 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kgl h PRO 44 CO 0.65 0.92 -0.99 0.39 -0.23 0.00 0.00 178.00 178.74 2kgl n GLU 45 N -4.34 -2.65 0.00 0.86 1.02 -1.26 -4.94 120.64 109.32 2kgl n GLU 45 Ca -0.04 2.26 -0.17 0.00 -0.02 0.00 0.00 57.16 59.19 2kgl n GLU 45 Cb 0.44 -4.24 -0.11 0.00 -0.02 0.00 0.00 31.44 27.51 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 0.56 0.00 -0.32 2.07 -1.99 -3.47 115.15 115.19 2kgl h HIS 46 Ca -0.00 -0.31 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 2kgl h HIS 46 Cb 0.29 -0.06 0.00 0.00 2.57 0.00 0.00 27.41 30.20 2kgl h HIS 46 CO 0.01 1.13 0.00 1.17 -3.07 0.00 0.00 177.93 177.16 2kgl n LYS 47 N -4.25 0.00 -2.91 5.12 4.81 -1.26 -5.10 118.16 114.57 2kgl n LYS 47 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.30 2kgl n LYS 47 Cb 0.65 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.71 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 -2.88 -1.72 -2.16 1.64 5.12 -1.26 -4.72 116.66 110.68 2kgl n ARG 48 Ca 0.00 1.73 -0.42 0.00 -1.93 0.00 0.00 57.85 57.22 2kgl n ARG 48 Cb 0.00 -5.56 -0.03 0.00 -1.16 0.00 0.00 32.46 25.72 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 -2.80 4.22 0.26 5.56 0.04 -1.26 -4.93 135.00 136.10 2kgl s PRO 49 Ca 0.11 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.25 2kgl s PRO 49 Cb -0.03 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2kgl s PRO 49 CO 0.73 -0.73 0.08 -1.12 0.04 0.00 0.00 177.00 175.99 2kgl s SER 50 N 2.57 4.92 0.11 6.66 0.01 -1.26 -5.14 113.70 121.56 2kgl s SER 50 Ca 0.66 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 2kgl s SER 50 Cb -0.30 -1.05 0.01 0.00 0.21 0.00 0.00 66.02 64.88 2kgl s SER 50 CO 0.25 -0.02 0.28 0.00 0.41 0.00 0.00 173.24 174.16 2kgl s ALA 51 N -2.26 -0.48 -1.11 1.44 0.00 -1.26 -4.73 121.76 113.37 2kgl s ALA 51 Ca 0.32 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 2kgl s ALA 51 Cb -0.07 0.59 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 2kgl s ALA 51 CO 0.22 -0.57 1.93 -0.35 0.00 0.00 0.00 175.76 176.99 2kgl n PRO 52 N -0.13 1.57 -1.28 0.00 -0.04 -1.26 -4.71 135.00 129.14 2kgl n PRO 52 Ca -0.15 -2.35 -0.29 0.00 -0.04 0.00 0.00 63.50 60.67 2kgl n PRO 52 Cb 0.63 -3.59 0.13 0.00 -0.04 0.00 0.00 33.50 30.63 2kgl n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2kgl n ILE 53 N 7.51 3.40 -3.32 0.52 -5.35 -1.26 -4.96 119.36 115.90 2kgl n ILE 53 Ca 0.46 -2.43 -0.22 0.00 -0.27 0.00 0.00 62.75 60.29 2kgl n ILE 53 Cb 0.45 -0.80 0.05 0.00 -1.74 0.00 0.00 39.64 37.60 2kgl n ILE 53 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kgl s ASP 54 N -1.59 4.88 -0.16 7.28 1.47 -1.26 -4.89 116.67 122.40 2kgl s ASP 54 Ca 0.61 -1.04 0.02 0.00 1.18 0.00 0.00 52.55 53.31 2kgl s ASP 54 Cb 0.49 0.50 -0.11 0.00 -0.34 0.00 0.00 42.92 43.46 2kgl s ASP 54 CO 0.05 -1.36 -0.12 0.49 0.68 0.00 0.00 175.17 174.91 2kgl n PHE 55 N -2.15 0.00 -2.89 2.11 3.01 -1.26 -5.07 117.46 111.20 2kgl n PHE 55 Ca 0.11 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.55 2kgl n PHE 55 Cb 0.63 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2kgl n SER 56 N -2.91 -7.40 -2.52 4.37 2.88 -1.10 -4.99 113.62 101.94 2kgl n SER 56 Ca -0.27 0.08 -0.03 0.00 -1.33 0.00 0.00 58.87 57.32 2kgl n SER 56 Cb 0.81 -5.01 -0.01 0.00 -0.75 0.00 0.00 64.21 59.25 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 57 N -1.35 0.16 0.00 -1.46 3.00 -1.23 -4.99 118.16 112.28 2kgl n LYS 57 Ca 0.03 -0.60 0.00 0.00 -0.00 0.00 0.00 58.31 57.74 2kgl n LYS 57 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.51 2kgl n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2kgl n LEU 58 N -0.47 0.77 -4.71 3.14 7.94 -1.23 -5.02 117.00 117.41 2kgl n LEU 58 Ca -0.25 0.12 -0.23 0.00 -1.11 0.00 0.00 56.01 54.55 2kgl n LEU 58 Cb 0.63 -0.24 -0.06 0.00 0.53 0.00 0.00 43.42 44.27 2kgl n LEU 58 CO -0.10 -0.24 -0.26 -1.81 -1.11 0.00 0.00 177.39 173.86 2kgl s ASP 59 N -2.22 4.91 0.00 1.96 1.01 -1.26 -5.01 116.67 116.07 2kgl s ASP 59 Ca 0.00 -0.50 0.14 0.00 0.71 0.00 0.00 52.55 52.90 2kgl s ASP 59 Cb 0.00 -1.05 0.66 0.00 1.01 0.00 0.00 42.92 43.54 2kgl s ASP 59 CO 0.00 -0.02 1.44 -0.81 0.21 0.00 0.00 175.17 175.98 2kgl n PRO 60 N -1.01 0.08 0.00 8.23 -0.04 -1.26 -4.23 135.00 136.77 2kgl n PRO 60 Ca -0.07 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2kgl n PRO 60 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.03 -1.72 2.77 0.55 0.00 -1.25 -4.96 105.19 100.55 2kgl n GLY 61 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 2kgl n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kgl n LYS 62 N -0.08 -1.47 -2.16 1.61 4.81 -1.26 -4.92 118.16 114.69 2kgl n LYS 62 Ca 0.00 1.56 -0.42 0.00 -0.87 0.00 0.00 58.31 58.57 2kgl n LYS 62 Cb 0.00 -5.14 -0.03 0.00 0.02 0.00 0.00 35.03 29.89 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kgl s PRO 63 N -2.77 4.23 0.40 1.64 0.04 -1.26 -4.90 135.00 132.38 2kgl s PRO 63 Ca 0.08 2.01 0.21 0.00 0.04 0.00 0.00 61.00 63.34 2kgl s PRO 63 Cb -0.02 -3.77 0.28 0.00 0.04 0.00 0.00 34.50 31.03 2kgl s PRO 63 CO 0.65 -0.71 1.57 0.93 0.04 0.00 0.00 177.00 179.48 2kgl h GLU 64 N 8.57 0.00 0.00 4.56 3.07 -1.99 -3.20 114.58 125.60 2kgl h GLU 64 Ca -0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 2kgl h GLU 64 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2kgl h GLU 64 CO 0.94 0.11 0.00 0.66 -1.40 0.00 0.00 179.01 179.32 2kgl h SER 65 N 0.00 0.00 -0.25 1.42 4.64 -1.91 -1.77 113.55 115.68 2kgl h SER 65 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2kgl h SER 65 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2kgl h SER 65 CO 0.01 0.00 0.19 -0.29 -0.87 0.00 0.00 176.83 175.88 2kgl h ILE 66 N 0.00 0.80 0.00 0.95 6.09 -1.95 0.53 117.51 123.93 2kgl h ILE 66 Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2kgl h ILE 66 Cb 0.03 0.86 -0.00 0.00 0.47 0.00 0.00 36.82 38.19 2kgl h ILE 66 CO 0.00 0.00 -0.00 -0.07 -3.07 0.00 0.00 178.15 175.01 2kgl h LEU 67 N 0.00 0.00 -2.00 2.19 3.38 -1.58 -2.11 115.31 115.19 2kgl h LEU 67 Ca 0.12 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.33 2kgl h LEU 67 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2kgl h LEU 67 CO -0.00 0.00 0.59 0.50 0.09 0.00 0.00 178.44 179.62 2kgl h LYS 68 N 0.00 0.00 -0.44 1.13 1.63 -1.10 0.22 116.57 118.02 2kgl h LYS 68 Ca -0.00 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.93 2kgl h LYS 68 Cb 0.01 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 2kgl h LYS 68 CO 0.00 0.00 0.39 1.98 -3.45 0.00 0.00 179.45 178.37 2kgl h MET 69 N 0.00 0.00 -4.80 1.90 4.05 -1.59 -3.38 114.93 111.11 2kgl h MET 69 Ca 0.39 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.51 2kgl h MET 69 Cb 1.57 0.00 0.12 0.00 -0.80 0.00 0.00 31.60 32.48 2kgl h MET 69 CO -0.00 0.00 -0.55 2.41 0.23 0.00 0.00 176.91 178.99 2kgl n THR 70 N -4.00 -3.07 -2.29 -0.77 -1.04 0.76 -4.44 114.28 99.43 2kgl n THR 70 Ca 0.08 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 61.94 2kgl n THR 70 Cb 0.58 -3.76 -0.02 0.00 -1.82 0.00 0.00 70.33 65.31 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 -3.84 -4.21 0.32 -2.82 4.81 -1.26 -4.71 118.16 106.46 2kgl n LYS 71 Ca -0.07 3.18 -0.13 0.00 -0.87 0.00 0.00 58.31 60.42 2kgl n LYS 71 Cb 0.57 -4.30 -0.06 0.00 0.02 0.00 0.00 35.03 31.27 2kgl n LYS 71 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kgl h LYS 72 N 3.57 -0.81 0.00 1.64 1.63 -1.97 -3.49 116.57 117.14 2kgl h LYS 72 Ca -0.24 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2kgl h LYS 72 Cb 0.55 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 2kgl h LYS 72 CO 0.00 -0.54 0.00 0.41 -3.45 0.00 0.00 179.45 175.88 2kgl n GLY 73 N -0.56 3.21 2.98 5.01 0.00 -1.26 -5.08 105.19 109.49 2kgl n GLY 73 Ca -0.10 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 0.22 0.82 1.61 2.47 -1.26 -0.10 119.74 123.50 2kgl s LYS 74 Ca 0.00 -0.22 -0.14 0.00 -1.56 0.00 0.00 55.97 54.05 2kgl s LYS 74 Cb 0.00 0.09 0.21 0.00 -1.46 0.00 0.00 37.83 36.67 2kgl s LYS 74 CO 0.00 -0.04 0.62 0.25 0.16 0.00 0.00 175.35 176.34 2kgl n THR 75 N 2.30 0.00 -4.38 3.43 -2.24 -1.22 -4.84 114.28 107.33 2kgl n THR 75 Ca -0.18 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 2kgl n THR 75 Cb 0.57 -0.93 -0.13 0.00 -2.10 0.00 0.00 70.33 67.74 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kgl s LEU 76 N 0.00 2.30 -0.30 3.22 0.05 -1.26 -4.64 118.68 118.05 2kgl s LEU 76 Ca 0.43 -0.70 -0.10 0.00 0.05 0.00 0.00 54.13 53.81 2kgl s LEU 76 Cb -0.05 -1.05 0.13 0.00 -2.05 0.00 0.00 46.19 43.17 2kgl s LEU 76 CO 0.34 0.12 0.64 0.00 -0.55 0.00 0.00 176.35 176.91 2kgl s MET 77 N -1.90 0.57 -0.12 1.48 0.23 -1.20 -3.19 119.30 115.17 2kgl s MET 77 Ca 0.10 1.43 -0.09 0.00 -1.03 0.00 0.00 55.69 56.09 2kgl s MET 77 Cb -0.10 0.85 0.04 0.00 -1.53 0.00 0.00 34.83 34.09 2kgl s MET 77 CO 0.05 -0.22 0.31 -1.64 -2.03 0.00 0.00 175.02 171.49 2kgl s MET 78 N 2.89 0.33 -0.09 3.16 -1.94 -1.06 -1.45 119.30 121.13 2kgl s MET 78 Ca -0.05 0.49 -0.03 0.00 -1.71 0.00 0.00 55.69 54.39 2kgl s MET 78 Cb -0.12 0.09 0.05 0.00 2.01 0.00 0.00 34.83 36.86 2kgl s MET 78 CO -0.19 -0.08 0.16 -0.06 -0.01 0.00 0.00 175.02 174.84 2kgl s PHE 79 N 0.53 -0.17 -0.21 -0.03 0.08 -0.69 -2.53 117.98 114.97 2kgl s PHE 79 Ca -0.03 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.41 2kgl s PHE 79 Cb -0.05 -0.29 0.06 0.00 -0.57 0.00 0.00 43.02 42.18 2kgl s PHE 79 CO -0.03 -0.29 0.53 0.54 -0.10 0.00 0.00 175.22 175.87 2kgl s VAL 80 N 2.29 -0.01 -0.51 -0.44 0.11 -1.19 -0.41 120.40 120.24 2kgl s VAL 80 Ca 0.03 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.15 2kgl s VAL 80 Cb -0.12 -0.76 0.17 0.00 -1.53 0.00 0.00 36.38 34.14 2kgl s VAL 80 CO -0.06 0.01 0.40 1.07 -3.33 0.00 0.00 175.10 173.19 2kgl n THR 81 N 3.35 -0.23 -3.51 5.04 5.66 0.76 -2.68 114.28 122.67 2kgl n THR 81 Ca -0.17 -3.93 -0.12 0.00 -3.05 0.00 0.00 64.05 56.78 2kgl n THR 81 Cb 0.56 -1.84 -0.04 0.00 -1.55 0.00 0.00 70.33 67.47 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 -0.51 0.00 -0.61 1.08 0.11 -0.87 -1.96 120.40 117.63 2kgl s VAL 82 Ca 0.31 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.10 2kgl s VAL 82 Cb 0.02 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 2kgl s VAL 82 CO -0.19 0.00 2.25 -0.44 -3.33 0.00 0.00 175.10 173.40 2kgl s SER 83 N -1.84 4.56 0.00 3.54 0.01 -1.26 -3.19 113.70 115.51 2kgl s SER 83 Ca -0.01 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.81 2kgl s SER 83 Cb -0.01 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kgl s SER 83 CO -0.02 -2.97 0.00 0.61 0.41 0.00 0.00 173.24 171.27 2kgl n GLY 84 N 6.18 -1.37 0.00 3.44 0.00 -1.26 -4.59 105.19 107.59 2kgl n GLY 84 Ca 0.36 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.01 0.00 -4.45 1.61 4.05 -1.26 -4.93 115.26 108.27 2kgl n ASN 85 Ca 0.00 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.73 2kgl n ASN 85 Cb 0.00 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 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 -0.19 1.59 -0.71 1.20 -0.04 -1.26 -4.08 135.00 131.51 2kgl n PRO 86 Ca 0.00 -2.39 -0.03 0.00 -0.04 0.00 0.00 63.50 61.04 2kgl n PRO 86 Cb 0.00 -3.62 -0.03 0.00 -0.04 0.00 0.00 33.50 29.81 2kgl n PRO 86 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kgl n THR 87 N 7.56 0.00 -0.25 0.52 -2.24 -1.26 -4.85 114.28 113.75 2kgl n THR 87 Ca 0.46 -0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.29 2kgl n THR 87 Cb 0.46 0.21 0.17 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.00 0.21 -0.06 -0.78 4.11 -1.92 0.33 114.58 116.47 2kgl h GLU 88 Ca -0.24 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.05 2kgl h GLU 88 Cb 1.17 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2kgl h GLU 88 CO -0.12 0.14 -0.52 -0.22 0.07 0.00 0.00 179.01 178.35 2kgl h LYS 89 N 0.21 0.16 -0.02 1.06 3.11 -1.96 -2.91 116.57 116.21 2kgl h LYS 89 Ca 0.41 -0.09 -0.11 0.00 -2.81 0.00 0.00 60.65 58.04 2kgl h LYS 89 Cb 0.71 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.94 2kgl h LYS 89 CO -0.55 0.65 -0.51 0.93 -2.81 0.00 0.00 179.45 177.15 2kgl h GLU 90 N 0.13 0.06 -0.17 1.90 4.39 -0.89 -3.10 114.58 116.90 2kgl h GLU 90 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2kgl h GLU 90 Cb 0.97 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2kgl h GLU 90 CO 0.08 0.56 -0.02 1.79 -1.16 0.00 0.00 179.01 180.26 2kgl h THR 91 N 0.05 1.27 -0.11 1.13 1.35 -0.43 -2.83 112.91 113.34 2kgl h THR 91 Ca -0.00 -0.93 0.03 0.00 -0.55 0.00 0.00 66.41 64.96 2kgl h THR 91 Cb 0.92 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2kgl h THR 91 CO 0.07 0.28 0.08 -0.08 -0.25 0.00 0.00 175.52 175.62 2kgl h GLU 92 N 0.05 0.00 0.00 4.72 4.81 -1.51 0.39 114.58 123.04 2kgl h GLU 92 Ca 0.05 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2kgl h GLU 92 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kgl h GLU 92 CO 0.01 0.00 -0.22 1.49 -0.73 0.00 0.00 179.01 179.57 2kgl h GLU 93 N 0.00 0.00 -0.21 1.92 4.57 -1.43 -3.29 114.58 116.14 2kgl h GLU 93 Ca 0.05 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 2kgl h GLU 93 Cb 0.21 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.73 2kgl h GLU 93 CO -0.00 0.22 -0.43 0.82 -1.18 0.00 0.00 179.01 178.44 2kgl h ILE 94 N 0.00 0.13 -0.66 2.32 2.04 -0.71 -0.63 117.51 120.01 2kgl h ILE 94 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 2kgl h ILE 94 Cb 0.85 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 36.98 2kgl h ILE 94 CO 0.03 0.00 0.20 0.74 0.00 0.00 0.00 178.15 179.11 2kgl h THR 95 N -0.45 0.66 0.49 -0.27 2.02 -1.70 0.40 112.91 114.06 2kgl h THR 95 Ca 0.09 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 2kgl h THR 95 Cb 0.62 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2kgl h THR 95 CO -0.45 0.06 -0.39 0.28 0.37 0.00 0.00 175.52 175.40 2kgl h SER 96 N 0.34 -1.02 -0.12 4.18 0.02 -1.41 -2.33 113.55 113.21 2kgl h SER 96 Ca 0.35 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 2kgl h SER 96 Cb 0.51 0.32 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 2kgl h SER 96 CO -0.40 -0.54 0.09 -0.07 -1.14 0.00 0.00 176.83 174.77 2kgl h LEU 97 N -0.85 0.00 -1.85 5.07 3.38 -0.83 -1.62 115.31 118.61 2kgl h LEU 97 Ca -0.06 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.18 2kgl h LEU 97 Cb 0.71 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2kgl h LEU 97 CO 0.01 0.00 0.69 -0.25 0.09 0.00 0.00 178.44 178.98 2kgl h TRP 98 N 0.00 0.16 -0.88 1.13 7.01 0.37 0.89 115.95 124.62 2kgl h TRP 98 Ca 0.06 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.20 2kgl h TRP 98 Cb 0.23 -0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 27.16 2kgl h TRP 98 CO 0.00 0.03 0.49 1.96 -2.79 0.00 0.00 178.44 178.12 2kgl h GLN 99 N 0.10 0.69 0.23 2.65 1.08 -1.27 0.26 115.11 118.86 2kgl h GLN 99 Ca 0.49 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.63 2kgl h GLN 99 Cb 1.75 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 29.02 2kgl h GLN 99 CO -0.07 0.46 -0.11 0.78 -0.95 0.00 0.00 178.83 178.94 2kgl h GLY 100 N 0.71 -0.32 1.53 3.46 0.00 -1.02 -3.15 103.07 104.28 2kgl h GLY 100 Ca 0.47 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.99 2kgl h GLY 100 CO -0.33 -0.12 0.17 1.48 0.00 0.00 0.00 176.54 177.74 2kgl h SER 101 N -0.84 0.00 -0.39 0.19 4.64 -1.43 -1.82 113.55 113.89 2kgl h SER 101 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2kgl h SER 101 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2kgl h SER 101 CO 0.05 0.00 0.25 0.25 -0.87 0.00 0.00 176.83 176.51 2kgl h LEU 102 N 0.00 0.46 -1.82 5.97 6.46 -0.47 -2.00 115.31 123.91 2kgl h LEU 102 Ca 0.11 -0.03 0.21 0.00 -0.12 0.00 0.00 57.88 58.05 2kgl h LEU 102 Cb 0.45 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2kgl h LEU 102 CO -0.00 0.36 0.56 0.15 -0.62 0.00 0.00 178.44 178.89 2kgl h PHE 103 N 0.53 0.20 -0.30 1.25 3.04 -1.29 0.23 116.94 120.60 2kgl h PHE 103 Ca 0.14 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.19 2kgl h PHE 103 Cb -0.03 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 2kgl h PHE 103 CO -0.04 0.06 0.31 -0.91 -2.02 0.00 0.00 178.31 175.70 2kgl h ASN 104 N 0.15 0.00 -0.73 0.41 2.35 -1.41 -3.45 115.58 112.90 2kgl h ASN 104 Ca 0.40 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.83 2kgl h ASN 104 Cb 1.34 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.59 2kgl h ASN 104 CO -0.06 0.00 -0.28 0.00 -1.65 0.00 0.00 177.43 175.43 2kgl n ALA 105 N -2.37 -0.23 -2.08 -0.83 0.00 0.82 -2.72 120.51 113.10 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 0.46 -1.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 2kgl n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kgl n ASN 106 N -1.04 -0.00 -3.45 0.00 4.13 -1.26 -3.49 115.26 110.15 2kgl n ASN 106 Ca -0.15 -1.65 -0.31 0.00 1.68 0.00 0.00 54.58 54.15 2kgl n ASN 106 Cb 0.59 -0.07 0.27 0.00 -1.54 0.00 0.00 39.78 39.04 2kgl n ASN 106 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2kgl s TYR 107 N 0.00 -0.40 -0.17 3.10 -0.85 -1.26 -0.20 117.35 117.57 2kgl s TYR 107 Ca 0.05 0.44 -0.06 0.00 -0.52 0.00 0.00 57.07 56.98 2kgl s TYR 107 Cb 0.06 -3.19 0.08 0.00 0.38 0.00 0.00 41.96 39.29 2kgl s TYR 107 CO -0.03 -4.62 0.36 0.34 -1.52 0.00 0.00 175.55 170.08 2kgl s ASP 108 N -3.63 -0.01 -0.06 -0.18 2.15 -1.04 -4.36 116.67 109.54 2kgl s ASP 108 Ca 0.71 0.83 0.00 0.00 0.43 0.00 0.00 52.55 54.52 2kgl s ASP 108 Cb -0.09 1.09 0.02 0.00 -0.30 0.00 0.00 42.92 43.64 2kgl s ASP 108 CO 0.56 -0.23 -0.04 0.54 -0.17 0.00 0.00 175.17 175.82 2kgl s VAL 109 N 2.54 0.62 -0.05 1.11 0.11 -1.26 -2.95 120.40 120.52 2kgl s VAL 109 Ca -0.01 -0.12 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2kgl s VAL 109 Cb -0.12 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2kgl s VAL 109 CO -0.11 0.26 -0.11 -1.10 -3.33 0.00 0.00 175.10 170.71 2kgl s GLN 110 N 1.24 1.39 -0.11 1.54 -1.52 -0.99 -4.76 119.66 116.46 2kgl s GLN 110 Ca -0.06 -0.38 0.04 0.00 -1.95 0.00 0.00 55.36 53.01 2kgl s GLN 110 Cb -0.14 -1.21 0.00 0.00 -0.22 0.00 0.00 33.01 31.44 2kgl s GLN 110 CO -0.02 0.09 -0.24 1.03 -0.25 0.00 0.00 175.29 175.90 2kgl s ARG 111 N 0.42 3.04 -0.04 2.91 1.81 -0.88 -3.12 118.95 123.09 2kgl s ARG 111 Ca -0.09 -0.87 0.03 0.00 -1.72 0.00 0.00 55.73 53.08 2kgl s ARG 111 Cb -0.13 -2.33 0.01 0.00 -0.45 0.00 0.00 34.95 32.05 2kgl s ARG 111 CO 0.02 0.14 -0.11 0.12 -0.68 0.00 0.00 175.30 174.79 2kgl s PHE 112 N 0.43 1.27 -0.11 -0.53 5.36 -0.89 -3.62 117.98 119.90 2kgl s PHE 112 Ca -0.17 -0.39 -0.00 0.00 -0.96 0.00 0.00 56.93 55.41 2kgl s PHE 112 Cb -0.18 -0.91 0.02 0.00 -0.34 0.00 0.00 43.02 41.62 2kgl s PHE 112 CO 0.07 -0.18 -0.07 0.96 -1.46 0.00 0.00 175.22 174.53 2kgl s ILE 113 N 0.39 1.00 -0.05 3.12 -4.36 -1.26 -3.14 121.20 116.90 2kgl s ILE 113 Ca -0.08 -0.27 -0.08 0.00 -0.26 0.00 0.00 60.65 59.96 2kgl s ILE 113 Cb -0.12 -1.03 0.01 0.00 1.25 0.00 0.00 42.46 42.58 2kgl s ILE 113 CO 0.02 0.36 0.19 -0.69 0.24 0.00 0.00 174.94 175.07 2kgl s VAL 114 N 1.72 0.03 0.10 8.37 1.01 -0.92 -5.02 120.40 125.69 2kgl s VAL 114 Ca 0.05 -0.26 0.31 0.00 0.00 0.00 0.00 61.98 62.08 2kgl s VAL 114 Cb -0.13 -0.36 0.31 0.00 0.00 0.00 0.00 36.38 36.20 2kgl s VAL 114 CO -0.08 -0.14 1.93 1.23 0.00 0.00 0.00 175.10 178.04 2kgl h GLY 115 N 5.17 0.00 1.25 4.51 0.00 -2.05 -1.59 103.07 110.36 2kgl h GLY 115 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.75 2kgl h GLY 115 CO 0.39 0.00 -1.52 1.76 0.00 0.00 0.00 176.54 177.17 2kgl h SER 116 N 0.00 0.37 -1.09 0.19 0.02 -2.04 -3.50 113.55 107.51 2kgl h SER 116 Ca 0.00 -0.51 0.19 0.00 -0.84 0.00 0.00 61.79 60.62 2kgl h SER 116 Cb 0.04 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2kgl h SER 116 CO 0.00 1.43 0.47 -0.90 -1.14 0.00 0.00 176.83 176.69 2kgl n ASP 117 N -3.44 -0.56 -4.15 3.07 5.68 -0.60 -4.51 116.55 112.04 2kgl n ASP 117 Ca -0.16 -1.08 -0.21 0.00 -0.50 0.00 0.00 54.79 52.85 2kgl n ASP 117 Cb 1.04 0.86 -0.13 0.00 -1.14 0.00 0.00 41.12 41.75 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2kgl s ARG 118 N -2.00 0.98 -0.10 0.11 3.52 -1.19 -2.17 118.95 118.09 2kgl s ARG 118 Ca 0.16 -0.74 -0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2kgl s ARG 118 Cb -0.00 -0.99 0.03 0.00 -1.56 0.00 0.00 34.95 32.42 2kgl s ARG 118 CO -0.01 0.25 -0.06 0.00 -0.81 0.00 0.00 175.30 174.68 2kgl s ALA 119 N -0.80 1.14 -0.09 6.12 0.00 -1.19 -2.06 121.76 124.89 2kgl s ALA 119 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.58 2kgl s ALA 119 Cb -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2kgl s ALA 119 CO 0.01 -0.40 -0.09 -1.50 0.00 0.00 0.00 175.76 173.78 2kgl s ILE 120 N 1.72 1.03 -0.05 0.00 2.07 -1.09 -2.08 121.20 122.80 2kgl s ILE 120 Ca 0.04 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 58.95 2kgl s ILE 120 Cb -0.13 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 41.46 2kgl s ILE 120 CO -0.07 0.35 -0.12 0.12 -1.91 0.00 0.00 174.94 173.32 2kgl s PHE 121 N 1.22 1.31 -0.15 3.50 2.19 -1.18 -3.18 117.98 121.69 2kgl s PHE 121 Ca -0.04 -0.41 -0.11 0.00 0.33 0.00 0.00 56.93 56.70 2kgl s PHE 121 Cb -0.14 -0.94 0.05 0.00 -1.31 0.00 0.00 43.02 40.68 2kgl s PHE 121 CO -0.03 -0.19 0.37 0.00 1.83 0.00 0.00 175.22 177.20 2kgl s MET 122 N 0.40 0.39 -0.10 10.12 0.23 -1.05 -2.35 119.30 126.95 2kgl s MET 122 Ca -0.09 0.62 -0.13 0.00 -1.03 0.00 0.00 55.69 55.06 2kgl s MET 122 Cb -0.13 0.08 0.03 0.00 -1.53 0.00 0.00 34.83 33.29 2kgl s MET 122 CO 0.02 -0.10 0.35 -1.17 -2.03 0.00 0.00 175.02 172.09 2kgl s LEU 123 N 0.77 0.68 0.55 0.18 2.96 -1.15 -2.57 118.68 120.09 2kgl s LEU 123 Ca -0.05 0.54 0.29 0.00 -0.22 0.00 0.00 54.13 54.70 2kgl s LEU 123 Cb -0.06 1.26 1.46 0.00 0.50 0.00 0.00 46.19 49.35 2kgl s LEU 123 CO -0.05 -0.22 1.93 0.08 -1.32 0.00 0.00 176.35 176.76 2kgl h ARG 124 N 5.06 0.00 0.00 1.98 0.11 -1.89 -3.13 114.38 116.51 2kgl h ARG 124 Ca -0.27 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 59.32 2kgl h ARG 124 Cb 1.18 0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.32 2kgl h ARG 124 CO 0.32 0.00 0.02 -3.47 0.10 0.00 0.00 179.97 176.94 2kgl n ASP 125 N -4.19 1.80 0.07 0.08 -0.08 -1.26 -4.06 116.55 108.91 2kgl n ASP 125 Ca 0.13 -2.39 0.00 0.00 -1.51 0.00 0.00 54.79 51.03 2kgl n ASP 125 Cb 0.78 -0.55 0.00 0.00 2.34 0.00 0.00 41.12 43.69 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 -2.58 -0.11 0.31 0.27 0.00 0.72 -2.49 105.19 101.30 2kgl n GLY 126 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.88 -0.30 1.61 0.87 -1.90 0.27 113.55 113.22 2kgl h SER 127 Ca 0.00 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 2kgl h SER 127 Cb 0.09 0.38 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2kgl h SER 127 CO 0.00 -0.33 -0.07 0.22 -0.53 0.00 0.00 176.83 176.13 2kgl h TYR 128 N -0.35 0.74 -0.03 2.24 3.20 -1.95 -2.51 116.97 118.31 2kgl h TYR 128 Ca 0.10 -0.11 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2kgl h TYR 128 Cb 0.51 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2kgl h TYR 128 CO -0.38 0.73 -0.26 0.00 -1.64 0.00 0.00 178.16 176.61 2kgl h ALA 129 N 1.29 1.52 -0.40 1.82 0.00 -1.52 -2.50 119.26 119.47 2kgl h ALA 129 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2kgl h ALA 129 Cb 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2kgl h ALA 129 CO 0.03 0.36 0.05 -1.49 0.00 0.00 0.00 179.25 178.20 2kgl h TRP 130 N 0.04 0.72 0.16 0.00 -0.00 -0.05 0.24 115.95 117.06 2kgl h TRP 130 Ca 0.01 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.89 58.78 2kgl h TRP 130 Cb 0.48 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 2kgl h TRP 130 CO 0.00 0.71 -0.08 1.49 -0.00 0.00 0.00 178.44 180.57 2kgl h GLU 131 N 0.52 -0.21 -0.15 0.49 4.81 -1.44 -3.03 114.58 115.57 2kgl h GLU 131 Ca 0.12 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2kgl h GLU 131 Cb 0.39 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kgl h GLU 131 CO 0.01 0.08 -0.14 0.82 -0.73 0.00 0.00 179.01 179.05 2kgl h ILE 132 N -0.49 1.18 0.07 2.32 1.08 -1.46 -3.10 117.51 117.12 2kgl h ILE 132 Ca -0.02 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.68 2kgl h ILE 132 Cb 0.38 1.22 -0.05 0.00 -3.07 0.00 0.00 36.82 35.30 2kgl h ILE 132 CO 0.04 0.25 -0.45 0.50 -0.69 0.00 0.00 178.15 177.79 2kgl h LYS 133 N 0.22 -0.63 -0.42 2.37 3.11 -0.39 0.65 116.57 121.48 2kgl h LYS 133 Ca 0.04 0.04 0.08 0.00 -2.81 0.00 0.00 60.65 58.01 2kgl h LYS 133 Cb 0.38 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 2kgl h LYS 133 CO 0.02 -0.42 0.29 -0.44 -2.81 0.00 0.00 179.45 176.09 2kgl h ASP 134 N -0.66 0.19 0.39 4.20 5.19 -1.48 -0.02 116.42 124.23 2kgl h ASP 134 Ca 0.02 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 2kgl h ASP 134 Cb 0.70 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.16 2kgl h ASP 134 CO -0.29 0.12 -0.50 -0.26 -3.12 0.00 0.00 179.24 175.19 2kgl h PHE 135 N 0.21 0.15 0.19 4.55 -1.00 -1.05 -2.81 116.94 117.17 2kgl h PHE 135 Ca 0.19 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 2kgl h PHE 135 Cb 0.48 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2kgl h PHE 135 CO -0.00 0.60 -0.09 1.25 -1.61 0.00 0.00 178.31 178.46 2kgl h LEU 136 N 0.10 -0.21 -2.00 1.54 5.85 0.11 -2.93 115.31 117.76 2kgl h LEU 136 Ca 0.00 0.01 0.24 0.00 0.84 0.00 0.00 57.88 58.97 2kgl h LEU 136 Cb 0.91 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2kgl h LEU 136 CO 0.07 -0.14 0.59 1.62 -0.34 0.00 0.00 178.44 180.24 2kgl h VAL 137 N -0.26 0.59 -0.30 1.05 3.04 -1.64 0.24 116.25 118.97 2kgl h VAL 137 Ca -0.03 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.71 2kgl h VAL 137 Cb 0.19 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 2kgl h VAL 137 CO 0.04 0.00 0.21 -1.28 -1.01 0.00 0.00 177.57 175.53 2kgl h SER 138 N 0.00 0.16 0.24 3.17 0.87 -1.31 -2.70 113.55 113.98 2kgl h SER 138 Ca 0.39 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 2kgl h SER 138 Cb 1.57 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2kgl h SER 138 CO -0.00 0.11 -0.12 1.56 -0.53 0.00 0.00 176.83 177.85 2kgl h GLN 139 N 0.19 -0.32 -1.50 2.24 4.20 -0.40 -3.47 115.11 116.05 2kgl h GLN 139 Ca 0.13 0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.51 2kgl h GLN 139 Cb 0.29 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.05 2kgl h GLN 139 CO -0.02 0.05 -0.37 -3.47 -0.67 0.00 0.00 178.83 174.34 2kgl n ASP 140 N -5.03 -5.10 -2.66 1.46 -0.08 -1.02 -4.79 116.55 99.33 2kgl n ASP 140 Ca -0.09 0.25 -0.03 0.00 -1.51 0.00 0.00 54.79 53.41 2kgl n ASP 140 Cb 0.26 -4.15 0.07 0.00 2.34 0.00 0.00 41.12 39.65 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kgl n ARG 141 N -2.57 0.19 -3.84 -0.67 3.00 -0.83 -4.83 116.66 107.12 2kgl n ARG 141 Ca -0.19 -0.74 -0.12 0.00 -0.00 0.00 0.00 57.85 56.80 2kgl n ARG 141 Cb 0.61 -0.13 -0.11 0.00 0.00 0.00 0.00 32.46 32.83 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kgl s ALA 143 N -0.69 0.43 -0.09 0.00 0.00 -1.26 -0.17 121.76 119.98 2kgl s ALA 143 Ca -0.08 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 2kgl s ALA 143 Cb -0.05 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.42 2kgl s ALA 143 CO 0.01 -0.50 0.36 -1.21 0.00 0.00 0.00 175.76 174.42 2kgl s GLU 144 N 2.09 0.54 -0.15 0.00 2.02 0.45 -4.15 118.70 119.49 2kgl s GLU 144 Ca 0.05 0.27 -0.10 0.00 0.02 0.00 0.00 54.97 55.21 2kgl s GLU 144 Cb -0.12 0.25 0.05 0.00 0.10 0.00 0.00 34.13 34.41 2kgl s GLU 144 CO -0.04 -0.11 0.38 0.08 0.02 0.00 0.00 175.26 175.59 2kgl s VAL 145 N -0.38 -0.02 -0.10 2.63 1.01 -1.26 -1.71 120.40 120.58 2kgl s VAL 145 Ca -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2kgl s VAL 145 Cb -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.81 2kgl s VAL 145 CO 0.02 0.03 -0.03 0.42 0.00 0.00 0.00 175.10 175.54 2kgl s THR 146 N 1.08 0.68 -0.11 3.92 -4.23 -0.53 -4.53 115.64 111.92 2kgl s THR 146 Ca -0.07 -0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 2kgl s THR 146 Cb -0.07 -0.79 0.05 0.00 1.34 0.00 0.00 72.50 73.03 2kgl s THR 146 CO -0.09 0.29 0.22 -0.22 -0.54 0.00 0.00 174.62 174.29 2kgl s LEU 147 N 1.84 -0.03 0.00 4.79 1.98 -1.26 -3.23 118.68 122.78 2kgl s LEU 147 Ca 0.05 0.49 0.07 0.00 -2.89 0.00 0.00 54.13 51.84 2kgl s LEU 147 Cb -0.13 0.57 -0.02 0.00 0.66 0.00 0.00 46.19 47.27 2kgl s LEU 147 CO -0.07 -0.22 0.24 -0.62 -1.89 0.00 0.00 176.35 173.79 2kgl n GLU 148 N 5.04 0.47 -1.44 1.98 -0.58 -1.26 -5.07 120.64 119.79 2kgl n GLU 148 Ca -0.11 -3.50 -0.05 0.00 -0.42 0.00 0.00 57.16 53.09 2kgl n GLU 148 Cb 0.50 2.48 -0.02 0.00 -0.57 0.00 0.00 31.44 33.84 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kgl n GLY 149 N -0.77 0.90 0.00 0.62 0.00 -1.26 -4.54 105.19 100.14 2kgl n GLY 149 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.28 0.00 0.00 1.61 1.13 -1.26 -4.79 117.38 113.79 2kgl n GLN 150 Ca -0.22 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 2kgl n GLN 150 Cb 0.78 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 30.08 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 -0.99 0.00 -2.69 -1.09 2.81 -1.26 -4.97 117.12 108.93 2kgl n MET 151 Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 2kgl n MET 151 Cb 0.00 0.00 0.07 0.00 -0.71 0.00 0.00 33.22 32.58 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kgl n TYR 152 N 0.00 -1.47 -1.23 2.03 4.01 0.86 -5.00 117.16 116.35 2kgl n TYR 152 Ca 0.00 -1.10 -0.30 0.00 -0.16 0.00 0.00 57.90 56.34 2kgl n TYR 152 Cb 0.00 1.27 0.11 0.00 -0.31 0.00 0.00 39.34 40.42 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 0.28 1.79 0.11 -0.72 0.04 0.06 -3.40 135.00 133.16 2kgl s PRO 153 Ca 0.27 1.01 0.20 0.00 0.04 0.00 0.00 61.00 62.51 2kgl s PRO 153 Cb 0.23 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.82 2kgl s PRO 153 CO -0.14 -1.93 0.88 0.41 0.04 0.00 0.00 177.00 176.26 2kgl n GLY 154 N -1.17 -1.29 0.45 0.56 0.00 -1.26 -4.05 105.19 98.42 2kgl n GLY 154 Ca 0.08 -0.20 0.26 0.00 0.00 0.00 0.00 46.02 46.17 2kgl n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgl h LYS 155 N 0.00 0.00 0.00 1.61 1.57 -1.94 -3.41 116.57 114.41 2kgl h LYS 155 Ca -0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2kgl h LYS 155 Cb 1.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2kgl h LYS 155 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.32 2kgl n GLY 156 N -1.70 1.75 0.00 3.86 0.00 -1.26 -4.81 105.19 103.04 2kgl n GLY 156 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.60 2.77 0.00 -0.02 0.00 -1.26 -5.00 105.19 101.08 2kgl n GLY 157 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.22 0.35 -0.02 0.00 -1.26 -4.84 105.19 100.64 2kgl n GLY 158 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2kgl n GLY 158 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kgl h SER 159 N 0.00 0.77 -5.24 1.61 0.87 -1.93 -3.46 113.55 106.16 2kgl h SER 159 Ca 0.00 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2kgl h SER 159 Cb 0.00 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 2kgl h SER 159 CO 0.00 0.31 -1.18 1.17 -0.53 0.00 0.00 176.83 176.61 2kgl n LYS 160 N -4.75 -3.57 -0.06 2.24 4.81 -1.26 -5.00 118.16 110.56 2kgl n LYS 160 Ca 0.21 2.82 -0.11 0.00 -0.87 0.00 0.00 58.31 60.36 2kgl n LYS 160 Cb 0.50 -4.70 -0.04 0.00 0.02 0.00 0.00 35.03 30.81 2kgl n LYS 160 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kgl n GLU 161 N 1.23 0.31 -3.84 1.64 -0.58 -1.22 -4.99 120.64 113.19 2kgl n GLU 161 Ca -0.16 0.13 -0.28 0.00 -0.42 0.00 0.00 57.16 56.44 2kgl n GLU 161 Cb 0.29 -1.03 0.03 0.00 -0.57 0.00 0.00 31.44 30.15 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kgl n LYS 162 N -3.85 -5.53 -4.28 3.49 4.81 -1.26 -4.98 118.16 106.57 2kgl n LYS 162 Ca -0.20 0.62 -0.22 0.00 -0.87 0.00 0.00 58.31 57.63 2kgl n LYS 162 Cb 0.52 -5.43 -0.17 0.00 0.02 0.00 0.00 35.03 29.97 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2kgl s ASN 163 N -3.59 1.35 1.05 3.14 3.84 -1.26 -5.12 114.94 114.35 2kgl s ASN 163 Ca 0.49 -0.20 -0.16 0.00 0.21 0.00 0.00 52.86 53.20 2kgl s ASN 163 Cb -0.24 -0.61 0.07 0.00 -0.55 0.00 0.00 41.25 39.92 2kgl s ASN 163 CO 0.82 -0.03 0.15 2.29 -2.79 0.00 0.00 177.10 177.54 2kgl n LYS 164 N 4.07 -1.02 -3.41 0.43 2.85 -1.26 -4.75 118.16 115.08 2kgl n LYS 164 Ca -0.23 -0.27 -0.23 0.00 -1.05 0.00 0.00 58.31 56.53 2kgl n LYS 164 Cb 0.51 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 33.04 2kgl n LYS 164 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2kgl s THR 165 N -2.30 -0.09 -0.02 0.58 -4.23 -1.26 -5.02 115.64 103.31 2kgl s THR 165 Ca 0.56 -1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 2kgl s THR 165 Cb -0.16 -0.90 -0.10 0.00 1.34 0.00 0.00 72.50 72.69 2kgl s THR 165 CO 0.67 -0.80 0.78 0.11 -0.54 0.00 0.00 174.62 174.84 2kgl h LYS 166 N 7.00 -0.63 -0.07 3.99 1.57 -1.99 -0.86 116.57 125.58 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 1.01 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2kgl h LYS 166 CO 0.23 -0.42 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.21 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 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 2kgl h PRO 167 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2kgl h PRO 167 CO 0.11 0.60 -0.46 0.93 -0.23 0.00 0.00 178.00 178.96 2kgl h GLU 168 N 0.13 0.00 -0.64 0.86 3.07 -1.96 -3.12 114.58 112.91 2kgl h GLU 168 Ca 0.01 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 2kgl h GLU 168 Cb 0.89 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.72 2kgl h GLU 168 CO 0.07 0.46 0.26 0.87 -1.40 0.00 0.00 179.01 179.26 2kgl h LYS 169 N 0.00 0.43 0.03 2.33 1.79 -0.95 -1.57 116.57 118.64 2kgl h LYS 169 Ca -0.00 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.22 2kgl h LYS 169 Cb 1.18 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.71 2kgl h LYS 169 CO 0.06 0.29 -0.99 0.00 -1.08 0.00 0.00 179.45 177.73 2kgl h ALA 170 N 1.43 0.39 -0.88 3.86 0.00 -1.68 -3.12 119.26 119.25 2kgl h ALA 170 Ca 0.32 -0.82 0.16 0.00 0.00 0.00 0.00 54.91 54.57 2kgl h ALA 170 Cb 0.40 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2kgl h ALA 170 CO -0.31 1.05 0.47 -0.22 0.00 0.00 0.00 179.25 180.25 2kgl h LYS 171 N 0.05 0.64 0.01 0.00 3.64 -1.24 0.42 116.57 120.09 2kgl h LYS 171 Ca -0.05 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.09 2kgl h LYS 171 Cb 1.68 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 33.34 2kgl h LYS 171 CO 0.14 0.42 -0.95 0.87 -2.27 0.00 0.00 179.45 177.66 2kgl h LYS 172 N 0.65 0.04 -0.68 1.90 1.79 -1.51 -3.12 116.57 115.64 2kgl h LYS 172 Ca 0.49 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.85 2kgl h LYS 172 Cb 0.71 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 2kgl h LYS 172 CO -0.37 0.96 0.26 -0.22 -1.08 0.00 0.00 179.45 179.00 2kgl h LYS 173 N 0.02 1.03 -0.25 3.15 3.11 -0.94 -3.01 116.57 119.68 2kgl h LYS 173 Ca -0.02 -0.20 -0.05 0.00 -2.81 0.00 0.00 60.65 57.57 2kgl h LYS 173 Cb 1.66 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.72 2kgl h LYS 173 CO 0.13 0.87 -0.03 0.93 -2.81 0.00 0.00 179.45 178.54 2kgl h GLU 174 N 0.98 0.46 0.00 1.90 3.07 -1.11 -3.46 114.58 116.42 2kgl h GLU 174 Ca 0.23 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2kgl h GLU 174 Cb 0.23 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2kgl h GLU 174 CO -0.02 0.66 0.00 0.41 -1.40 0.00 0.00 179.01 178.67 2kgl n GLY 175 N -0.22 3.93 0.35 -3.84 0.00 -1.14 -4.14 105.19 100.12 2kgl n GLY 175 Ca -0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.71 -0.08 1.61 5.19 -1.81 -3.36 116.42 117.26 2kgl h ASP 176 Ca 0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2kgl h ASP 176 Cb 0.00 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.69 2kgl h ASP 176 CO 0.00 -0.34 -0.08 1.55 -3.12 0.00 0.00 179.24 177.25 2kgl h PRO 177 N -1.17 0.19 -1.39 3.56 0.13 -1.94 -3.33 132.00 128.04 2kgl h PRO 177 Ca -0.09 -0.10 0.24 0.00 -0.87 0.00 0.00 66.00 65.19 2kgl h PRO 177 Cb 0.64 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.57 2kgl h PRO 177 CO 0.14 0.62 0.82 -1.59 -0.23 0.00 0.00 178.00 177.76 2kgl s LYS 178 N -4.28 0.27 -1.08 0.86 -2.85 -1.26 -4.50 119.74 106.90 2kgl s LYS 178 Ca -0.15 -0.06 -0.23 0.00 -1.00 0.00 0.00 55.97 54.52 2kgl s LYS 178 Cb 0.03 0.13 -0.07 0.00 -2.06 0.00 0.00 37.83 35.86 2kgl s LYS 178 CO 0.72 -0.11 1.94 -1.25 0.10 0.00 0.00 175.35 176.74 2kgl s PRO 179 N -2.06 2.51 -0.35 1.78 0.04 -1.26 -4.41 135.00 131.25 2kgl s PRO 179 Ca 0.09 -0.84 0.01 0.00 0.04 0.00 0.00 61.00 60.30 2kgl s PRO 179 Cb -0.01 -5.17 0.29 0.00 0.04 0.00 0.00 34.50 29.64 2kgl s PRO 179 CO -0.05 -3.76 1.24 -2.13 0.04 0.00 0.00 177.00 172.34 2kgl n ARG 180 N 8.50 0.24 0.00 4.56 0.63 -1.26 -5.00 116.66 124.32 2kgl n ARG 180 Ca 0.43 -0.86 0.00 0.00 -0.92 0.00 0.00 57.85 56.51 2kgl n ARG 180 Cb 0.47 -0.37 0.00 0.00 0.45 0.00 0.00 32.46 33.01 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl n ALA 181 N 1.20 0.00 -0.36 5.13 0.00 -1.26 -4.97 120.51 120.25 2kgl n ALA 181 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.56 2kgl n ALA 181 Cb 0.71 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.46 2kgl n ALA 181 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kgl h SER 182 N 0.00 0.83 -0.20 0.00 4.64 -1.89 -0.88 113.55 116.05 2kgl h SER 182 Ca 0.00 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2kgl h SER 182 Cb 0.00 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2kgl h SER 182 CO 0.00 0.34 0.03 0.50 -0.87 0.00 0.00 176.83 176.83 2kgl h LYS 183 N 0.83 0.33 0.31 4.77 1.63 -1.93 0.11 116.57 122.62 2kgl h LYS 183 Ca 0.56 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 2kgl h LYS 183 Cb 0.79 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 2kgl h LYS 183 CO -0.35 0.48 -0.32 0.93 -3.45 0.00 0.00 179.45 176.73 2kgl h GLU 184 N 0.12 -0.64 0.36 1.90 5.08 -1.59 0.23 114.58 120.04 2kgl h GLU 184 Ca 0.06 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2kgl h GLU 184 Cb 0.31 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2kgl h GLU 184 CO 0.00 -0.43 -0.17 -0.44 -1.00 0.00 0.00 179.01 176.97 2kgl h ASP 185 N -0.66 -0.41 -1.00 1.42 3.32 -1.27 -2.78 116.42 115.03 2kgl h ASP 185 Ca -0.01 -0.02 0.17 0.00 0.02 0.00 0.00 57.03 57.18 2kgl h ASP 185 Cb 0.61 0.11 -0.10 0.00 0.22 0.00 0.00 39.33 40.16 2kgl h ASP 185 CO -0.07 -0.25 0.62 -1.13 -1.72 0.00 0.00 179.24 176.69 2kgl h ASN 186 N -0.55 0.82 -0.68 6.45 -0.00 -0.69 0.15 115.58 121.08 2kgl h ASN 186 Ca -0.05 0.08 0.10 0.00 -0.00 0.00 0.00 56.30 56.44 2kgl h ASN 186 Cb 0.41 -0.07 -0.04 0.00 -0.00 0.00 0.00 38.32 38.62 2kgl h ASN 186 CO 0.08 0.33 0.45 0.03 -0.00 0.00 0.00 177.43 178.33 2kgl h ARG 187 N 0.82 0.50 0.76 6.67 3.08 -0.27 -2.67 114.38 123.28 2kgl h ARG 187 Ca 0.56 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.54 2kgl h ARG 187 Cb 0.79 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.74 2kgl h ARG 187 CO -0.35 0.33 -0.36 0.00 -1.07 0.00 0.00 179.97 178.51 2kgl h ALA 188 N 1.66 -1.02 -3.69 0.04 0.00 -0.58 -3.40 119.26 112.28 2kgl h ALA 188 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2kgl h ALA 188 Cb 0.55 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2kgl h ALA 188 CO -0.10 -1.01 -0.68 0.41 0.00 0.00 0.00 179.25 177.87 2kgl n GLY 189 N -1.16 -4.92 0.02 0.00 0.00 -1.01 -0.18 105.19 97.95 2kgl n GLY 189 Ca -0.14 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 1.30 2.01 -2.67 1.61 2.88 -1.26 -1.29 113.62 116.20 2kgl n SER 190 Ca 0.00 -1.01 -0.03 0.00 -1.33 0.00 0.00 58.87 56.50 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 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 -2.87 -4.42 -1.46 0.63 -1.26 -3.52 116.66 103.75 2kgl n ARG 191 Ca -0.00 2.40 -0.40 0.00 -0.92 0.00 0.00 57.85 58.94 2kgl n ARG 191 Cb 0.00 -5.19 -0.08 0.00 0.45 0.00 0.00 32.46 27.64 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 0.29 -0.76 0.04 -0.14 1.85 -1.26 -4.71 116.66 111.97 2kgl n ARG 192 Ca 0.04 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.02 2kgl n ARG 192 Cb 0.16 -4.38 0.00 0.00 -1.05 0.00 0.00 32.46 27.19 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 -4.04 0.00 -3.38 2.89 2.13 -1.23 -5.07 120.64 111.94 2kgl n GLU 193 Ca 0.04 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.68 2kgl n GLU 193 Cb 0.48 -0.11 0.07 0.00 0.27 0.00 0.00 31.44 32.15 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kgl n ASP 194 N -2.88 -5.40 0.00 4.31 9.92 -0.41 -4.95 116.55 117.13 2kgl n ASP 194 Ca 0.00 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.50 2kgl n ASP 194 Cb 0.00 -4.82 0.00 0.00 -0.64 0.00 0.00 41.12 35.66 2kgl n ASP 194 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51