#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 6.52 0.29 0.00 2.15 -1.26 -4.79 116.67 119.58 2kgl s ASP 2 Ca 0.00 0.62 -0.10 0.00 0.43 0.00 0.00 52.55 53.50 2kgl s ASP 2 Cb 0.00 -2.17 -0.07 0.00 -0.30 0.00 0.00 42.92 40.38 2kgl s ASP 2 CO 0.00 0.25 0.63 0.42 -0.17 0.00 0.00 175.17 176.30 2kgl s THR 3 N -0.38 4.86 0.24 1.71 -4.23 -1.26 -5.09 115.64 111.49 2kgl s THR 3 Ca 0.18 0.53 -0.04 0.00 -1.18 0.00 0.00 61.69 61.18 2kgl s THR 3 Cb -0.14 -3.66 0.06 0.00 1.34 0.00 0.00 72.50 70.11 2kgl s THR 3 CO 0.06 -0.22 0.21 -0.81 -0.54 0.00 0.00 174.62 173.33 2kgl n PRO 4 N -0.54 -1.44 -3.06 3.99 -0.04 -1.26 -4.99 135.00 127.67 2kgl n PRO 4 Ca 0.01 -0.34 -0.18 0.00 -0.04 0.00 0.00 63.50 62.95 2kgl n PRO 4 Cb 0.53 -0.32 -0.02 0.00 -0.04 0.00 0.00 33.50 33.65 2kgl n PRO 4 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 5 N 1.03 2.29 0.01 0.55 0.00 -1.26 -4.90 105.19 102.92 2kgl n GLY 5 Ca 0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 1.05 0.00 -2.23 1.61 0.00 -1.26 -5.02 120.64 114.80 2kgl n GLU 6 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.93 2kgl n GLU 6 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kgl n ALA 7 N -0.76 6.03 -2.40 4.31 0.00 -1.26 -4.95 120.51 121.48 2kgl n ALA 7 Ca 0.00 -4.25 -0.30 0.00 0.00 0.00 0.00 53.44 48.89 2kgl n ALA 7 Cb 0.00 -2.83 -0.13 0.00 0.00 0.00 0.00 19.45 16.49 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 -0.64 2.39 0.96 0.00 -1.32 -1.26 -5.03 115.64 110.74 2kgl s THR 8 Ca 0.45 -1.52 -0.12 0.00 -1.21 0.00 0.00 61.69 59.30 2kgl s THR 8 Cb 0.14 -2.02 0.17 0.00 -1.51 0.00 0.00 72.50 69.27 2kgl s THR 8 CO -0.04 0.22 1.09 -2.16 -2.21 0.00 0.00 174.62 171.52 2kgl s PRO 9 N -1.72 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.79 2kgl s PRO 9 Ca 0.14 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 2kgl s PRO 9 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kgl s PRO 9 CO 0.05 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.38 2kgl s PRO 10 N -4.95 0.73 -1.01 0.56 0.04 -1.26 -4.88 135.00 124.24 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 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 2kgl s PRO 10 CO 0.57 -2.55 1.92 -0.35 0.04 0.00 0.00 177.00 176.63 2kgl n PRO 11 N -4.07 1.52 0.16 0.56 -0.04 -1.26 -4.72 135.00 127.16 2kgl n PRO 11 Ca 0.06 -2.20 -0.11 0.00 -0.04 0.00 0.00 63.50 61.21 2kgl n PRO 11 Cb 0.56 -3.40 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 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 9.05 -0.45 0.00 0.54 3.08 -1.94 -3.40 114.38 121.25 2kgl h ARG 12 Ca 0.29 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2kgl h ARG 12 Cb 0.83 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2kgl h ARG 12 CO 1.52 -0.16 -0.76 1.63 -1.07 0.00 0.00 179.97 181.12 2kgl n LYS 13 N -5.11 2.33 -0.21 0.04 5.02 -1.26 -4.61 118.16 114.37 2kgl n LYS 13 Ca -0.08 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.22 2kgl n LYS 13 Cb 0.26 -0.88 0.10 0.00 -0.02 0.00 0.00 35.03 34.49 2kgl n LYS 13 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2kgl h LYS 14 N 0.00 0.09 -1.00 1.97 2.10 -1.84 0.13 116.57 118.03 2kgl h LYS 14 Ca 0.00 -0.01 -0.58 0.00 -2.00 0.00 0.00 60.65 58.07 2kgl h LYS 14 Cb 0.76 -0.02 -0.30 0.00 -0.90 0.00 0.00 32.23 31.77 2kgl h LYS 14 CO 0.00 0.06 0.74 1.17 -2.00 0.00 0.00 179.45 179.42 2kgl n LYS 15 N -5.31 2.40 -0.11 0.07 4.81 -1.26 -3.82 118.16 114.94 2kgl n LYS 15 Ca 0.09 -3.11 -0.19 0.00 -0.87 0.00 0.00 58.31 54.23 2kgl n LYS 15 Cb 0.36 -2.22 -0.06 0.00 0.02 0.00 0.00 35.03 33.13 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 -1.07 1.91 -2.61 3.14 -0.08 0.45 -4.98 116.55 113.30 2kgl n ASP 16 Ca 0.61 0.33 -0.06 0.00 -1.51 0.00 0.00 54.79 54.16 2kgl n ASP 16 Cb 1.32 -0.76 -0.05 0.00 2.34 0.00 0.00 41.12 43.97 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 -4.32-12.80 -1.62 5.18 5.41 -1.23 -4.53 119.36 105.45 2kgl n ILE 17 Ca -0.35 2.78 -0.50 0.00 1.00 0.00 0.00 62.75 65.69 2kgl n ILE 17 Cb 0.70 -6.50 -0.06 0.00 -0.71 0.00 0.00 39.64 33.08 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kgl n ARG 18 N 1.75 1.73 -1.54 0.38 1.74 -1.26 0.01 116.66 119.47 2kgl n ARG 18 Ca -0.43 0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 57.06 2kgl n ARG 18 Cb 0.66 -2.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.44 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kgl n ASP 19 N 7.79 -5.14 -2.42 0.55 -0.08 -1.25 -0.08 116.55 115.91 2kgl n ASP 19 Ca 0.29 0.46 -0.12 0.00 -1.51 0.00 0.00 54.79 53.91 2kgl n ASP 19 Cb 0.27 -4.51 -0.01 0.00 2.34 0.00 0.00 41.12 39.21 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 -2.27 -1.41 0.00 -0.67 9.36 0.10 -4.04 117.16 118.23 2kgl n TYR 20 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 2kgl n TYR 20 Cb 0.63 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kgl n ASN 21 N -1.77 0.00 0.32 2.98 5.15 -0.70 -4.94 115.26 116.29 2kgl n ASN 21 Ca -0.14 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.04 2kgl n ASN 21 Cb 0.60 0.00 1.10 0.00 -0.53 0.00 0.00 39.78 40.95 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kgl h ASP 22 N 0.00 0.00 -0.50 1.20 3.58 -0.63 -2.81 116.42 117.26 2kgl h ASP 22 Ca 0.00 0.00 0.10 0.00 0.42 0.00 0.00 57.03 57.55 2kgl h ASP 22 Cb 0.00 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.95 2kgl h ASP 22 CO 0.00 0.00 -0.28 0.00 -2.88 0.00 0.00 179.24 176.08 2kgl h ALA 23 N 1.89 0.01 -0.81 -0.78 0.00 -1.17 0.22 119.26 118.61 2kgl h ALA 23 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.19 2kgl h ALA 23 Cb 0.11 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2kgl h ALA 23 CO 0.00 -0.63 0.53 0.38 0.00 0.00 0.00 179.25 179.53 2kgl h ASP 24 N -0.16 0.59 -0.28 0.00 3.04 -1.81 -1.58 116.42 116.22 2kgl h ASP 24 Ca 0.22 0.03 -0.00 0.00 -3.24 0.00 0.00 57.03 54.03 2kgl h ASP 24 Cb 0.52 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 38.70 2kgl h ASP 24 CO -0.59 0.32 0.17 -0.03 -2.04 0.00 0.00 179.24 177.07 2kgl h MET 25 N 0.64 0.37 -0.96 4.15 4.05 -0.76 -2.57 114.93 119.86 2kgl h MET 25 Ca 0.39 -0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.97 2kgl h MET 25 Cb 0.63 -0.08 -0.11 0.00 -0.80 0.00 0.00 31.60 31.24 2kgl h MET 25 CO -0.16 0.28 0.54 0.00 0.23 0.00 0.00 176.91 177.81 2kgl h ALA 26 N 1.07 1.57 -0.84 0.39 0.00 -0.63 0.17 119.26 120.99 2kgl h ALA 26 Ca 0.10 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.27 2kgl h ALA 26 Cb 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2kgl h ALA 26 CO -0.02 -0.12 0.55 -0.09 0.00 0.00 0.00 179.25 179.58 2kgl h ARG 27 N 0.67 0.49 -0.79 0.00 2.43 -1.37 -1.15 114.38 114.65 2kgl h ARG 27 Ca 0.56 -0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.88 2kgl h ARG 27 Cb 0.91 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.23 2kgl h ARG 27 CO -0.41 0.32 0.24 -0.07 -1.51 0.00 0.00 179.97 178.55 2kgl h LEU 28 N 0.50 0.11 -1.00 3.80 3.38 -0.69 0.19 115.31 121.61 2kgl h LEU 28 Ca 0.43 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.73 2kgl h LEU 28 Cb 0.91 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.73 2kgl h LEU 28 CO -0.17 -0.03 0.61 0.25 0.09 0.00 0.00 178.44 179.19 2kgl h LEU 29 N 0.31 0.80 -0.67 1.67 5.85 -1.32 0.11 115.31 122.06 2kgl h LEU 29 Ca 0.46 0.09 -0.14 0.00 0.84 0.00 0.00 57.88 59.13 2kgl h LEU 29 Cb 0.81 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2kgl h LEU 29 CO -0.52 0.30 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.08 2kgl h GLU 30 N 0.79 0.48 -0.15 1.25 3.07 -0.75 -2.94 114.58 116.33 2kgl h GLU 30 Ca 0.56 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2kgl h GLU 30 Cb 0.83 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2kgl h GLU 30 CO -0.37 0.85 0.09 1.96 -1.40 0.00 0.00 179.01 180.14 2kgl h GLN 31 N 0.38 0.20 -0.09 2.33 1.08 -0.18 -2.49 115.11 116.34 2kgl h GLN 31 Ca 0.02 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kgl h GLN 31 Cb 0.97 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2kgl h GLN 31 CO 0.09 0.14 0.06 2.35 -0.95 0.00 0.00 178.83 180.51 2kgl h TRP 32 N 0.20 0.12 -0.04 2.96 2.91 -1.25 -2.10 115.95 118.75 2kgl h TRP 32 Ca 0.05 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.08 2kgl h TRP 32 Cb -0.01 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 28.60 2kgl h TRP 32 CO 0.00 0.11 0.03 0.93 -1.03 0.00 0.00 178.44 178.48 2kgl h GLU 33 N 0.09 0.00 -0.00 2.65 3.07 -1.54 -0.73 114.58 118.12 2kgl h GLU 33 Ca 0.03 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.78 2kgl h GLU 33 Cb 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.92 2kgl h GLU 33 CO -0.01 0.00 -0.53 -0.22 -1.40 0.00 0.00 179.01 176.85 2kgl h LYS 34 N 0.00 0.00 -1.16 2.33 3.11 -1.24 -2.97 116.57 116.64 2kgl h LYS 34 Ca 0.02 -0.00 0.33 0.00 -2.81 0.00 0.00 60.65 58.18 2kgl h LYS 34 Cb 0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.22 2kgl h LYS 34 CO -0.00 0.53 0.78 0.22 -2.81 0.00 0.00 179.45 178.18 2kgl h ASP 35 N 0.00 0.25 0.01 4.20 1.82 -0.69 0.53 116.42 122.55 2kgl h ASP 35 Ca -0.01 0.06 -0.28 0.00 -0.39 0.00 0.00 57.03 56.41 2kgl h ASP 35 Cb 0.94 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 2kgl h ASP 35 CO 0.07 0.01 -1.55 -0.67 -1.61 0.00 0.00 179.24 175.49 2kgl n ASP 36 N -4.47 1.90 0.00 2.28 2.03 -1.15 -4.67 116.55 112.48 2kgl n ASP 36 Ca 0.28 0.38 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2kgl n ASP 36 Cb 1.12 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kgl n ASP 37 N -4.29 0.00 -2.31 1.67 9.92 -0.71 -5.03 116.55 115.80 2kgl n ASP 37 Ca -0.36 0.78 -0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2kgl n ASP 37 Cb 0.76 -0.43 -0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kgl n ILE 38 N -1.80 -8.84 0.00 0.53 5.41 0.18 -5.05 119.36 109.79 2kgl n ILE 38 Ca 0.00 1.28 0.00 0.00 1.00 0.00 0.00 62.75 65.03 2kgl n ILE 38 Cb 0.00 -5.97 0.00 0.00 -0.71 0.00 0.00 39.64 32.96 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 0.51 0.00 -2.94 0.38 4.07 -1.26 -5.12 120.64 116.27 2kgl n GLU 39 Ca -0.01 0.03 -0.06 0.00 -0.06 0.00 0.00 57.16 57.06 2kgl n GLU 39 Cb 0.02 -0.49 0.02 0.00 -0.06 0.00 0.00 31.44 30.93 2kgl n GLU 39 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2kgl n GLU 40 N -2.39 0.74 0.00 5.31 1.02 -1.26 -5.08 120.64 118.98 2kgl n GLU 40 Ca 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.67 2kgl n GLU 40 Cb 0.00 1.85 0.00 0.00 -0.02 0.00 0.00 31.44 33.27 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgl n GLY 41 N -0.39 0.18 2.70 0.62 0.00 -1.25 -4.28 105.19 102.78 2kgl n GLY 41 Ca -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 2kgl n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgl n ASP 42 N -1.04 -3.90 -2.75 1.61 -0.08 -1.24 -1.31 116.55 107.84 2kgl n ASP 42 Ca 0.00 1.32 -0.07 0.00 -1.51 0.00 0.00 54.79 54.53 2kgl n ASP 42 Cb 0.00 -4.91 0.04 0.00 2.34 0.00 0.00 41.12 38.59 2kgl n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kgl n LEU 43 N 1.39 -3.06 -0.09 -2.67 -0.00 -1.26 -0.99 117.00 110.31 2kgl n LEU 43 Ca -0.23 -3.15 -0.13 0.00 -0.00 0.00 0.00 56.01 52.50 2kgl n LEU 43 Cb 0.37 0.81 -0.04 0.00 -0.00 0.00 0.00 43.42 44.56 2kgl n LEU 43 CO 0.38 1.97 0.57 1.55 -0.00 0.00 0.00 177.39 181.86 2kgl h PRO 44 N 4.32 0.68 -5.25 1.47 0.13 -1.96 -3.49 132.00 127.88 2kgl h PRO 44 Ca -0.08 -0.36 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2kgl h PRO 44 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kgl h PRO 44 CO 0.22 0.96 -0.84 -1.91 -0.23 0.00 0.00 178.00 176.20 2kgl n GLU 45 N -4.29 -3.02 0.00 0.86 2.13 -1.26 -5.00 120.64 110.05 2kgl n GLU 45 Ca -0.04 2.50 0.00 0.00 0.66 0.00 0.00 57.16 60.28 2kgl n GLU 45 Cb 0.46 -5.29 0.00 0.00 0.27 0.00 0.00 31.44 26.88 2kgl n GLU 45 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2kgl n HIS 46 N 0.39 0.00 0.00 4.31 1.44 -1.26 -5.07 115.22 115.02 2kgl n HIS 46 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2kgl n HIS 46 Cb 0.18 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.29 2kgl n HIS 46 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2kgl n LYS 47 N -2.12 0.00 -3.26 -1.40 2.85 -1.26 -5.09 118.16 107.88 2kgl n LYS 47 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2kgl n LYS 47 Cb 0.48 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.87 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2kgl n ARG 48 N -1.35 -1.79 -2.15 -1.58 3.00 -1.26 -4.79 116.66 106.75 2kgl n ARG 48 Ca 0.00 1.49 -0.42 0.00 -0.00 0.00 0.00 57.85 58.92 2kgl n ARG 48 Cb 0.00 -4.21 -0.03 0.00 0.00 0.00 0.00 32.46 28.23 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kgl s PRO 49 N -3.21 4.20 0.26 -0.14 0.04 -1.26 -4.90 135.00 129.99 2kgl s PRO 49 Ca 0.15 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.29 2kgl s PRO 49 Cb -0.03 -3.91 -0.04 0.00 0.04 0.00 0.00 34.50 30.56 2kgl s PRO 49 CO 0.81 -0.80 0.08 -1.12 0.04 0.00 0.00 177.00 176.02 2kgl s SER 50 N 2.88 4.97 0.11 6.66 0.01 -1.26 -5.13 113.70 121.93 2kgl s SER 50 Ca 0.67 -0.48 -0.10 0.00 1.31 0.00 0.00 55.95 57.36 2kgl s SER 50 Cb -0.29 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 64.85 2kgl s SER 50 CO 0.25 -0.02 0.23 0.00 0.41 0.00 0.00 173.24 174.11 2kgl s ALA 51 N -2.24 -0.28 -1.00 1.44 0.00 -1.26 -4.66 121.76 113.76 2kgl s ALA 51 Ca 0.32 -0.59 -0.24 0.00 0.00 0.00 0.00 51.96 51.45 2kgl s ALA 51 Cb -0.07 0.58 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 2kgl s ALA 51 CO 0.22 -0.55 1.94 -1.25 0.00 0.00 0.00 175.76 176.12 2kgl s PRO 52 N -3.87 2.53 -0.57 0.00 0.04 -1.26 -4.82 135.00 127.05 2kgl s PRO 52 Ca 0.07 -0.59 0.06 0.00 0.04 0.00 0.00 61.00 60.58 2kgl s PRO 52 Cb 0.04 -5.12 0.23 0.00 0.04 0.00 0.00 34.50 29.69 2kgl s PRO 52 CO -0.09 -3.59 0.63 0.44 0.04 0.00 0.00 177.00 174.43 2kgl n ILE 53 N 7.85 1.22 -4.50 0.56 -5.35 -1.26 -5.00 119.36 112.88 2kgl n ILE 53 Ca 0.42 -4.74 -0.29 0.00 -0.27 0.00 0.00 62.75 57.87 2kgl n ILE 53 Cb 0.47 -2.04 -0.08 0.00 -1.74 0.00 0.00 39.64 36.24 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 -1.83 4.16 -0.03 7.28 -4.77 -1.26 -4.86 116.67 115.36 2kgl s ASP 54 Ca 0.36 -1.41 -0.01 0.00 -3.30 0.00 0.00 52.55 48.19 2kgl s ASP 54 Cb 0.12 0.02 -0.00 0.00 -1.09 0.00 0.00 42.92 41.97 2kgl s ASP 54 CO -0.07 -0.69 -0.03 -0.26 0.70 0.00 0.00 175.17 174.82 2kgl h PHE 55 N 1.43 0.00 -5.73 2.11 -1.00 -1.92 -3.50 116.94 108.32 2kgl h PHE 55 Ca -0.43 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.26 2kgl h PHE 55 Cb 1.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.84 2kgl h PHE 55 CO 1.04 0.00 -0.88 0.45 -1.61 0.00 0.00 178.31 177.31 2kgl n SER 56 N -2.70 -7.17 0.00 2.17 2.88 -1.25 -4.98 113.62 102.57 2kgl n SER 56 Ca -0.01 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2kgl n SER 56 Cb 0.04 -3.85 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 2kgl n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kgl n LYS 57 N 0.26 0.00 0.00 -1.46 5.02 -1.26 -4.95 118.16 115.76 2kgl n LYS 57 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2kgl n LYS 57 Cb 0.40 -0.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kgl n LEU 58 N -1.88 0.09 -4.72 -0.35 4.77 -1.26 -4.87 117.00 108.78 2kgl n LEU 58 Ca 0.00 0.74 -0.23 0.00 -0.03 0.00 0.00 56.01 56.49 2kgl n LEU 58 Cb 0.12 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2kgl n LEU 58 CO 0.00 -0.27 -0.25 -1.81 -1.33 0.00 0.00 177.39 173.73 2kgl s ASP 59 N -2.01 4.94 0.06 -1.43 1.01 -1.26 -5.05 116.67 112.93 2kgl s ASP 59 Ca 0.00 -0.51 -0.18 0.00 0.71 0.00 0.00 52.55 52.57 2kgl s ASP 59 Cb 0.00 -1.04 -0.12 0.00 1.01 0.00 0.00 42.92 42.76 2kgl s ASP 59 CO 0.00 -0.05 1.37 1.55 0.21 0.00 0.00 175.17 178.25 2kgl h PRO 60 N 1.69 0.49 -5.60 8.23 0.13 -1.90 -3.46 132.00 131.57 2kgl h PRO 60 Ca -0.46 -0.26 -0.42 0.00 -0.87 0.00 0.00 66.00 64.00 2kgl h PRO 60 Cb 1.25 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2kgl h PRO 60 CO 0.61 0.83 -0.64 0.41 -0.23 0.00 0.00 178.00 178.98 2kgl n GLY 61 N 0.19 -0.49 2.36 1.56 0.00 -1.26 -4.53 105.19 103.01 2kgl n GLY 61 Ca -0.05 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2kgl n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kgl n LYS 62 N -4.09 1.74 -0.99 1.61 5.02 -1.26 -4.30 118.16 115.89 2kgl n LYS 62 Ca -0.01 -4.00 -0.28 0.00 -2.02 0.00 0.00 58.31 51.99 2kgl n LYS 62 Cb 0.55 -1.79 0.24 0.00 -0.02 0.00 0.00 35.03 34.00 2kgl n LYS 62 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kgl n PRO 63 N 0.92 -3.05 0.13 1.97 -0.04 -1.26 -4.96 135.00 128.70 2kgl n PRO 63 Ca 0.26 -1.66 0.01 0.00 -0.04 0.00 0.00 63.50 62.07 2kgl n PRO 63 Cb 0.48 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 2kgl n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kgl h GLU 64 N 0.00 0.00 -0.10 0.54 4.22 -1.99 -3.22 114.58 114.02 2kgl h GLU 64 Ca -0.39 0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.08 2kgl h GLU 64 Cb 1.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kgl h GLU 64 CO 0.26 0.59 0.10 0.66 -2.18 0.00 0.00 179.01 178.44 2kgl h SER 65 N 0.00 0.00 -0.81 1.04 4.64 -1.93 -1.50 113.55 114.99 2kgl h SER 65 Ca -0.01 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 2kgl h SER 65 Cb 1.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.49 2kgl h SER 65 CO 0.08 0.00 0.58 0.40 -0.87 0.00 0.00 176.83 177.02 2kgl h ILE 66 N 0.00 0.60 -0.25 0.95 1.08 -1.93 0.24 117.51 118.19 2kgl h ILE 66 Ca 0.05 -0.01 -0.14 0.00 -0.39 0.00 0.00 64.86 64.37 2kgl h ILE 66 Cb 0.25 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2kgl h ILE 66 CO -0.00 0.00 -0.42 -0.07 -0.69 0.00 0.00 178.15 176.98 2kgl h LEU 67 N 0.02 0.66 -2.42 1.44 3.38 -1.52 -2.80 115.31 114.07 2kgl h LEU 67 Ca 0.39 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2kgl h LEU 67 Cb 1.53 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2kgl h LEU 67 CO -0.01 0.99 0.04 0.50 0.09 0.00 0.00 178.44 180.05 2kgl h LYS 68 N 0.50 0.00 0.02 1.13 1.63 -0.56 -2.12 116.57 117.17 2kgl h LYS 68 Ca 0.04 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2kgl h LYS 68 Cb 0.94 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 2kgl h LYS 68 CO 0.08 0.00 -0.01 1.98 -3.45 0.00 0.00 179.45 178.06 2kgl h MET 69 N 0.00 -0.02 -4.83 1.90 4.05 -1.45 -3.42 114.93 111.16 2kgl h MET 69 Ca 0.02 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.18 2kgl h MET 69 Cb 0.10 0.00 0.13 0.00 -0.80 0.00 0.00 31.60 31.04 2kgl h MET 69 CO -0.00 0.31 -0.60 2.41 0.23 0.00 0.00 176.91 179.26 2kgl n THR 70 N -4.94 -4.71 -2.25 -0.77 -1.04 -0.88 -4.52 114.28 95.18 2kgl n THR 70 Ca -0.08 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.05 61.50 2kgl n THR 70 Cb 0.18 -4.46 -0.02 0.00 -1.82 0.00 0.00 70.33 64.21 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 -3.42 -4.04 0.00 -2.82 4.81 -1.26 -4.62 118.16 106.81 2kgl n LYS 71 Ca -0.22 3.07 0.00 0.00 -0.87 0.00 0.00 58.31 60.29 2kgl n LYS 71 Cb 0.63 -4.16 0.00 0.00 0.02 0.00 0.00 35.03 31.52 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 1.45 0.00 0.00 1.64 3.00 -1.26 -5.03 118.16 117.96 2kgl n LYS 72 Ca -0.18 0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2kgl n LYS 72 Cb 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 35.03 34.18 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 -0.04 -1.66 3.17 3.14 0.00 -1.26 -5.02 105.19 103.52 2kgl n GLY 73 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 2kgl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 74 N 0.00 0.45 1.31 1.61 0.00 -1.26 -0.33 119.74 121.52 2kgl s LYS 74 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 55.97 55.83 2kgl s LYS 74 Cb 0.00 0.20 0.32 0.00 0.00 0.00 0.00 37.83 38.35 2kgl s LYS 74 CO 0.00 -0.10 0.81 0.25 0.00 0.00 0.00 175.35 176.32 2kgl n THR 75 N 2.14 0.00 -4.34 3.79 -2.24 -1.24 -4.79 114.28 107.60 2kgl n THR 75 Ca -0.17 -0.23 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 2kgl n THR 75 Cb 0.57 -0.92 -0.14 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 -6.53 2.08 -0.30 3.22 2.34 -1.26 -4.56 118.68 113.66 2kgl s LEU 76 Ca 0.65 -0.28 -0.09 0.00 0.06 0.00 0.00 54.13 54.46 2kgl s LEU 76 Cb -0.17 -0.48 0.14 0.00 -0.56 0.00 0.00 46.19 45.12 2kgl s LEU 76 CO 0.59 0.06 0.65 0.00 -1.06 0.00 0.00 176.35 176.59 2kgl s MET 77 N -0.59 0.57 -0.18 1.48 0.23 -1.20 -3.18 119.30 116.43 2kgl s MET 77 Ca 0.02 1.40 -0.20 0.00 -1.03 0.00 0.00 55.69 55.88 2kgl s MET 77 Cb -0.05 0.84 0.05 0.00 -1.53 0.00 0.00 34.83 34.14 2kgl s MET 77 CO 0.00 -0.24 0.56 0.00 -2.03 0.00 0.00 175.02 173.31 2kgl s MET 78 N 2.89 0.69 -0.08 3.16 0.23 -1.03 -1.43 119.30 123.73 2kgl s MET 78 Ca -0.03 0.68 -0.02 0.00 -1.03 0.00 0.00 55.69 55.29 2kgl s MET 78 Cb -0.12 0.33 0.03 0.00 -1.53 0.00 0.00 34.83 33.54 2kgl s MET 78 CO -0.19 -0.11 0.01 -0.06 -2.03 0.00 0.00 175.02 172.64 2kgl s PHE 79 N 0.07 0.64 -0.00 3.16 0.08 0.96 -3.14 117.98 119.75 2kgl s PHE 79 Ca -0.02 -0.19 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 2kgl s PHE 79 Cb -0.04 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.62 2kgl s PHE 79 CO 0.02 -0.34 0.01 0.54 -0.10 0.00 0.00 175.22 175.34 2kgl s VAL 80 N 1.98 0.02 -0.46 -0.44 0.11 -1.18 -1.75 120.40 118.66 2kgl s VAL 80 Ca 0.05 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2kgl s VAL 80 Cb -0.13 -0.06 0.16 0.00 -1.53 0.00 0.00 36.38 34.82 2kgl s VAL 80 CO -0.05 -0.07 0.33 0.28 -3.33 0.00 0.00 175.10 172.25 2kgl s THR 81 N -0.21 1.04 -0.12 5.04 -1.32 0.60 -1.83 115.64 118.83 2kgl s THR 81 Ca -0.02 -2.80 -0.31 0.00 -1.21 0.00 0.00 61.69 57.35 2kgl s THR 81 Cb -0.01 -1.71 0.13 0.00 -1.51 0.00 0.00 72.50 69.39 2kgl s THR 81 CO -0.00 -1.08 1.03 0.54 -2.21 0.00 0.00 174.62 172.90 2kgl s VAL 82 N -0.02 0.00 -0.88 5.08 0.11 0.87 -2.67 120.40 122.89 2kgl s VAL 82 Ca 0.26 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.06 2kgl s VAL 82 Cb -0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2kgl s VAL 82 CO -0.12 0.00 1.82 -0.94 -3.33 0.00 0.00 175.10 172.54 2kgl s SER 83 N -1.78 5.44 0.00 3.54 1.04 -1.26 -3.19 113.70 117.49 2kgl s SER 83 Ca 0.04 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2kgl s SER 83 Cb -0.01 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2kgl s SER 83 CO -0.04 -2.45 0.00 0.61 0.98 0.00 0.00 173.24 172.35 2kgl n GLY 84 N 6.68 2.14 0.00 7.32 0.00 -1.26 -4.65 105.19 115.42 2kgl n GLY 84 Ca 0.35 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.03 0.00 -4.34 1.61 2.85 -1.26 -4.88 115.26 109.21 2kgl n ASN 85 Ca 0.00 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.15 2kgl n ASN 85 Cb 0.00 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 40.96 2kgl n ASN 85 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2kgl n PRO 86 N -0.06 1.55 -0.31 1.20 -0.04 -1.26 -4.15 135.00 131.93 2kgl n PRO 86 Ca 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 2kgl n PRO 86 Cb 0.00 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 29.94 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 7.38 0.00 -0.14 0.52 -2.24 -1.26 -4.93 114.28 113.61 2kgl n THR 87 Ca 0.46 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.20 2kgl n THR 87 Cb 0.45 0.38 0.04 0.00 -2.10 0.00 0.00 70.33 69.11 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 0.22 -0.12 -0.78 4.11 -1.93 0.30 114.58 116.37 2kgl h GLU 88 Ca 0.00 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 2kgl h GLU 88 Cb 1.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2kgl h GLU 88 CO 0.00 0.14 -0.36 0.87 0.07 0.00 0.00 179.01 179.73 2kgl h LYS 89 N 0.22 0.24 -0.22 1.06 1.57 -1.96 -3.06 116.57 114.42 2kgl h LYS 89 Ca 0.22 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 2kgl h LYS 89 Cb 0.27 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2kgl h LYS 89 CO -0.28 0.58 -0.26 0.93 -0.57 0.00 0.00 179.45 179.84 2kgl h GLU 90 N 0.21 0.57 -0.74 3.15 3.07 -1.58 -3.14 114.58 116.11 2kgl h GLU 90 Ca 0.02 -0.31 0.14 0.00 -0.50 0.00 0.00 59.36 58.71 2kgl h GLU 90 Cb 0.74 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 28.57 2kgl h GLU 90 CO 0.06 0.91 0.28 1.79 -1.40 0.00 0.00 179.01 180.65 2kgl h THR 91 N 0.26 0.64 0.00 1.13 1.35 -0.37 0.31 112.91 116.24 2kgl h THR 91 Ca 0.03 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.72 2kgl h THR 91 Cb 0.82 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 2kgl h THR 91 CO 0.06 0.08 -0.14 -0.33 -0.25 0.00 0.00 175.52 174.94 2kgl h GLU 92 N 0.42 0.00 0.00 4.72 5.08 -1.53 -1.68 114.58 121.59 2kgl h GLU 92 Ca 0.41 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 2kgl h GLU 92 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2kgl h GLU 92 CO -0.41 0.14 -0.51 0.93 -1.00 0.00 0.00 179.01 178.16 2kgl h GLU 93 N 0.00 0.00 -1.00 2.33 5.08 -0.45 -3.29 114.58 117.26 2kgl h GLU 93 Ca -0.00 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 2kgl h GLU 93 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2kgl h GLU 93 CO 0.02 0.35 0.71 0.82 -1.00 0.00 0.00 179.01 179.91 2kgl h ILE 94 N 0.00 0.51 -0.52 3.13 1.08 0.02 0.30 117.51 122.03 2kgl h ILE 94 Ca -0.02 -0.02 -0.11 0.00 -0.39 0.00 0.00 64.86 64.32 2kgl h ILE 94 Cb 1.31 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 2kgl h ILE 94 CO 0.05 0.01 -0.09 0.00 -0.69 0.00 0.00 178.15 177.43 2kgl h THR 95 N 0.06 1.26 -0.14 -0.27 1.03 -1.69 0.33 112.91 113.50 2kgl h THR 95 Ca 0.49 -1.22 -0.07 0.00 -0.01 0.00 0.00 66.41 65.59 2kgl h THR 95 Cb 1.82 0.96 -0.00 0.00 -1.07 0.00 0.00 68.15 69.86 2kgl h THR 95 CO -0.04 0.43 -0.20 0.28 -0.01 0.00 0.00 175.52 175.97 2kgl h SER 96 N 0.86 0.41 -0.13 0.00 0.02 -0.65 -3.18 113.55 110.88 2kgl h SER 96 Ca 0.14 -0.52 -0.15 0.00 -0.84 0.00 0.00 61.79 60.42 2kgl h SER 96 Cb 0.63 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 2kgl h SER 96 CO 0.04 0.86 -0.44 -0.07 -1.14 0.00 0.00 176.83 176.08 2kgl h LEU 97 N -0.02 0.73 -1.18 5.07 3.38 -1.33 -3.06 115.31 118.90 2kgl h LEU 97 Ca 0.01 -0.35 0.20 0.00 0.09 0.00 0.00 57.88 57.83 2kgl h LEU 97 Cb 0.77 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.22 2kgl h LEU 97 CO 0.05 1.07 0.61 -0.25 0.09 0.00 0.00 178.44 180.01 2kgl h TRP 98 N 0.55 0.89 -0.93 1.13 7.01 -0.37 0.13 115.95 124.36 2kgl h TRP 98 Ca 0.04 0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.26 2kgl h TRP 98 Cb 0.99 -0.27 -0.07 0.00 -2.10 0.00 0.00 29.16 27.70 2kgl h TRP 98 CO 0.05 0.21 0.60 1.96 -2.79 0.00 0.00 178.44 178.47 2kgl h GLN 99 N 0.64 0.47 0.33 2.65 7.50 -1.51 0.59 115.11 125.79 2kgl h GLN 99 Ca 0.55 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.65 2kgl h GLN 99 Cb 1.01 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.44 2kgl h GLN 99 CO -0.31 0.31 -0.16 0.78 -1.50 0.00 0.00 178.83 177.95 2kgl h GLY 100 N 0.49 -0.46 1.31 3.46 0.00 -0.91 -3.22 103.07 103.74 2kgl h GLY 100 Ca 0.49 0.17 0.09 0.00 0.00 0.00 0.00 47.33 48.08 2kgl h GLY 100 CO -0.22 -0.17 0.27 1.48 0.00 0.00 0.00 176.54 177.90 2kgl h SER 101 N -0.97 0.12 -0.71 0.19 4.64 -1.37 -1.73 113.55 113.72 2kgl h SER 101 Ca -0.05 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.39 2kgl h SER 101 Cb 0.51 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.49 2kgl h SER 101 CO 0.07 0.07 0.31 0.25 -0.87 0.00 0.00 176.83 176.67 2kgl h LEU 102 N 0.13 0.36 -1.67 5.97 7.12 -0.90 0.35 115.31 126.68 2kgl h LEU 102 Ca 0.18 0.08 0.18 0.00 0.13 0.00 0.00 57.88 58.45 2kgl h LEU 102 Cb 0.54 0.03 -0.05 0.00 -0.53 0.00 0.00 40.66 40.65 2kgl h LEU 102 CO -0.02 0.19 0.54 0.15 -0.13 0.00 0.00 178.44 179.16 2kgl h PHE 103 N 0.51 0.38 -0.16 1.25 3.04 -1.36 0.24 116.94 120.84 2kgl h PHE 103 Ca 0.36 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.37 2kgl h PHE 103 Cb 0.45 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 2kgl h PHE 103 CO -0.14 0.12 0.21 -0.91 -2.02 0.00 0.00 178.31 175.58 2kgl h ASN 104 N 0.30 0.00 -0.46 0.41 2.35 -1.03 -3.43 115.58 113.72 2kgl h ASN 104 Ca 0.40 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.95 2kgl h ASN 104 Cb 1.09 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.38 2kgl h ASN 104 CO -0.11 0.00 -0.18 0.00 -1.65 0.00 0.00 177.43 175.49 2kgl n ALA 105 N -2.26 -0.15 -2.14 -0.83 0.00 0.84 -3.96 120.51 112.01 2kgl n ALA 105 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.60 2kgl n ALA 105 Cb 0.32 -1.53 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.76 -0.01 -3.72 0.00 2.85 -1.26 -4.66 115.26 107.71 2kgl n ASN 106 Ca -0.10 -1.79 -0.26 0.00 -0.11 0.00 0.00 54.58 52.32 2kgl n ASN 106 Cb 0.49 -0.04 0.22 0.00 1.24 0.00 0.00 39.78 41.69 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgl n TYR 107 N 0.14 -2.56 -3.68 1.20 4.11 -1.25 -2.73 117.16 112.40 2kgl n TYR 107 Ca -0.06 -0.29 -0.11 0.00 -0.00 0.00 0.00 57.90 57.43 2kgl n TYR 107 Cb 0.79 -1.44 -0.12 0.00 -0.00 0.00 0.00 39.34 38.57 2kgl n TYR 107 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2kgl s ASP 108 N -2.39 -0.07 -0.23 9.48 1.11 -0.83 -4.61 116.67 119.14 2kgl s ASP 108 Ca 0.55 0.75 -0.09 0.00 0.18 0.00 0.00 52.55 53.94 2kgl s ASP 108 Cb -0.12 0.86 0.10 0.00 1.07 0.00 0.00 42.92 44.83 2kgl s ASP 108 CO 0.52 -0.22 0.50 0.54 1.18 0.00 0.00 175.17 177.68 2kgl s VAL 109 N 2.13 -0.61 -0.01 -1.27 0.11 -1.26 -1.14 120.40 118.35 2kgl s VAL 109 Ca -0.03 0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.08 2kgl s VAL 109 Cb -0.11 -0.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 2kgl s VAL 109 CO -0.10 0.04 0.09 0.00 -3.33 0.00 0.00 175.10 171.79 2kgl s GLN 110 N 2.46 0.27 0.13 1.54 -2.07 -0.14 -4.65 119.66 117.20 2kgl s GLN 110 Ca -0.04 -0.18 0.11 0.00 -1.82 0.00 0.00 55.36 53.42 2kgl s GLN 110 Cb -0.11 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.88 2kgl s GLN 110 CO -0.15 -0.05 -0.26 1.03 -1.32 0.00 0.00 175.29 174.54 2kgl s ARG 111 N -0.70 1.44 -0.01 9.60 0.52 -1.26 -1.29 118.95 127.25 2kgl s ARG 111 Ca -0.08 -1.34 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 2kgl s ARG 111 Cb -0.05 -1.92 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 2kgl s ARG 111 CO 0.00 0.45 -0.10 0.12 0.02 0.00 0.00 175.30 175.79 2kgl s PHE 112 N -1.08 0.94 -0.11 -0.53 5.36 0.07 -4.33 117.98 118.30 2kgl s PHE 112 Ca 0.15 -0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 55.92 2kgl s PHE 112 Cb -0.10 -0.62 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2kgl s PHE 112 CO 0.06 -0.04 -0.07 0.96 -1.46 0.00 0.00 175.22 174.67 2kgl s ILE 113 N -0.13 0.99 -0.04 3.12 -4.36 -1.26 -3.12 121.20 116.40 2kgl s ILE 113 Ca 0.02 -0.27 -0.08 0.00 -0.26 0.00 0.00 60.65 60.06 2kgl s ILE 113 Cb -0.05 -1.01 0.01 0.00 1.25 0.00 0.00 42.46 42.66 2kgl s ILE 113 CO -0.00 0.36 0.19 -0.69 0.24 0.00 0.00 174.94 175.03 2kgl s VAL 114 N 1.66 0.04 0.66 8.37 1.01 -0.78 -5.02 120.40 126.33 2kgl s VAL 114 Ca 0.04 -0.34 0.38 0.00 0.00 0.00 0.00 61.98 62.07 2kgl s VAL 114 Cb -0.13 -0.38 0.39 0.00 0.00 0.00 0.00 36.38 36.27 2kgl s VAL 114 CO -0.07 -0.18 2.22 1.23 0.00 0.00 0.00 175.10 178.29 2kgl h GLY 115 N 4.99 0.00 1.27 4.51 0.00 -2.05 -1.21 103.07 110.58 2kgl h GLY 115 Ca -0.28 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.72 2kgl h GLY 115 CO 0.39 0.00 -1.49 1.76 0.00 0.00 0.00 176.54 177.20 2kgl h SER 116 N 0.00 0.71 -1.16 0.19 0.02 -2.04 -3.50 113.55 107.78 2kgl h SER 116 Ca 0.01 -0.81 0.20 0.00 -0.84 0.00 0.00 61.79 60.35 2kgl h SER 116 Cb 0.24 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2kgl h SER 116 CO -0.00 1.65 0.50 -0.90 -1.14 0.00 0.00 176.83 176.94 2kgl n ASP 117 N -3.65 -0.60 -4.04 3.07 5.68 -0.46 -4.66 116.55 111.90 2kgl n ASP 117 Ca -0.17 -1.09 -0.23 0.00 -0.50 0.00 0.00 54.79 52.81 2kgl n ASP 117 Cb 1.08 0.92 -0.16 0.00 -1.14 0.00 0.00 41.12 41.82 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 1.34 -0.05 0.11 3.52 -1.19 -1.87 118.95 118.80 2kgl s ARG 118 Ca 0.16 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.39 2kgl s ARG 118 Cb -0.00 -1.19 0.01 0.00 -1.56 0.00 0.00 34.95 32.21 2kgl s ARG 118 CO -0.01 0.12 -0.11 0.00 -0.81 0.00 0.00 175.30 174.49 2kgl s ALA 119 N 0.29 1.14 0.01 6.12 0.00 -1.18 -0.09 121.76 128.05 2kgl s ALA 119 Ca -0.06 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2kgl s ALA 119 Cb -0.11 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2kgl s ALA 119 CO 0.02 0.13 -0.14 -1.50 0.00 0.00 0.00 175.76 174.27 2kgl s ILE 120 N 0.51 1.09 -0.05 0.00 2.07 -0.76 -0.75 121.20 123.30 2kgl s ILE 120 Ca -0.11 -0.78 0.02 0.00 -1.41 0.00 0.00 60.65 58.38 2kgl s ILE 120 Cb -0.14 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 41.52 2kgl s ILE 120 CO 0.02 0.16 -0.11 0.12 -1.91 0.00 0.00 174.94 173.22 2kgl s PHE 121 N -0.57 1.30 -0.16 3.50 2.19 -0.41 -3.13 117.98 120.70 2kgl s PHE 121 Ca 0.03 -0.43 -0.07 0.00 0.33 0.00 0.00 56.93 56.79 2kgl s PHE 121 Cb -0.06 -0.95 0.07 0.00 -1.31 0.00 0.00 43.02 40.76 2kgl s PHE 121 CO 0.00 -0.21 0.37 0.00 1.83 0.00 0.00 175.22 177.21 2kgl s MET 122 N 0.50 0.31 -0.11 10.12 0.23 -1.19 -0.96 119.30 128.20 2kgl s MET 122 Ca -0.10 0.81 -0.13 0.00 -1.03 0.00 0.00 55.69 55.23 2kgl s MET 122 Cb -0.14 0.06 0.03 0.00 -1.53 0.00 0.00 34.83 33.25 2kgl s MET 122 CO 0.02 -0.20 0.36 -1.17 -2.03 0.00 0.00 175.02 172.00 2kgl s LEU 123 N 1.87 0.64 0.47 0.18 0.20 -0.29 -2.46 118.68 119.29 2kgl s LEU 123 Ca -0.06 0.59 0.16 0.00 0.69 0.00 0.00 54.13 55.51 2kgl s LEU 123 Cb -0.10 1.28 1.14 0.00 -0.43 0.00 0.00 46.19 48.08 2kgl s LEU 123 CO -0.11 -0.21 2.03 0.08 -0.29 0.00 0.00 176.35 177.85 2kgl h ARG 124 N 5.14 0.24 0.00 1.98 0.11 -1.83 -2.20 114.38 117.82 2kgl h ARG 124 Ca -0.27 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2kgl h ARG 124 Cb 1.18 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2kgl h ARG 124 CO 0.31 0.16 0.00 -3.47 0.10 0.00 0.00 179.97 177.07 2kgl n ASP 125 N -4.47 -0.39 0.10 0.08 2.03 -1.26 -3.97 116.55 108.68 2kgl n ASP 125 Ca 0.06 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2kgl n ASP 125 Cb 0.32 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kgl n GLY 126 N 3.99 -0.25 0.10 0.27 0.00 -1.10 -2.37 105.19 105.82 2kgl n GLY 126 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.13 -0.30 1.61 0.87 -1.94 -2.68 113.55 110.99 2kgl h SER 127 Ca 0.00 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.47 2kgl h SER 127 Cb 0.00 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2kgl h SER 127 CO 0.00 0.10 0.21 0.22 -0.53 0.00 0.00 176.83 176.83 2kgl h TYR 128 N -0.36 0.00 0.00 2.24 3.20 -1.98 0.47 116.97 120.54 2kgl h TYR 128 Ca -0.02 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2kgl h TYR 128 Cb 0.29 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2kgl h TYR 128 CO -0.01 0.00 -0.47 0.00 -1.64 0.00 0.00 178.16 176.04 2kgl h ALA 129 N 1.85 1.20 -0.39 1.82 0.00 -1.79 -2.81 119.26 119.15 2kgl h ALA 129 Ca 0.14 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2kgl h ALA 129 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2kgl h ALA 129 CO -0.00 0.59 0.08 2.35 0.00 0.00 0.00 179.25 182.27 2kgl h TRP 130 N 0.00 0.66 0.25 0.00 -0.00 -0.64 0.25 115.95 116.48 2kgl h TRP 130 Ca -0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.79 2kgl h TRP 130 Cb 0.85 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.83 2kgl h TRP 130 CO 0.00 0.65 -0.12 1.49 -0.00 0.00 0.00 178.44 180.46 2kgl h GLU 131 N 0.48 -0.32 -0.22 2.65 4.57 -1.48 -3.02 114.58 117.24 2kgl h GLU 131 Ca 0.12 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2kgl h GLU 131 Cb 0.33 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2kgl h GLU 131 CO 0.00 -0.05 -0.04 0.82 -1.18 0.00 0.00 179.01 178.56 2kgl h ILE 132 N -0.57 1.16 -0.57 2.32 1.08 -1.50 -2.81 117.51 116.61 2kgl h ILE 132 Ca -0.03 -0.66 0.11 0.00 -0.39 0.00 0.00 64.86 63.89 2kgl h ILE 132 Cb 0.42 1.04 -0.09 0.00 -3.07 0.00 0.00 36.82 35.13 2kgl h ILE 132 CO 0.06 0.22 0.09 0.50 -0.69 0.00 0.00 178.15 178.32 2kgl h LYS 133 N 0.32 0.21 -0.26 2.37 3.11 -0.36 0.11 116.57 122.07 2kgl h LYS 133 Ca 0.07 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.83 2kgl h LYS 133 Cb 0.29 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.45 2kgl h LYS 133 CO 0.01 0.14 -0.13 -0.44 -2.81 0.00 0.00 179.45 176.21 2kgl h ASP 134 N 0.21 0.43 0.51 4.20 3.32 -1.44 -2.45 116.42 121.20 2kgl h ASP 134 Ca 0.30 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 2kgl h ASP 134 Cb 0.45 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2kgl h ASP 134 CO -0.41 0.59 -0.50 -0.26 -1.72 0.00 0.00 179.24 176.94 2kgl h PHE 135 N 0.41 0.00 0.17 4.55 0.04 -0.90 -2.63 116.94 118.58 2kgl h PHE 135 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2kgl h PHE 135 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 2kgl h PHE 135 CO 0.01 0.50 -0.08 1.25 -0.60 0.00 0.00 178.31 179.39 2kgl h LEU 136 N 0.00 -0.20 -2.00 1.54 6.46 -0.40 -3.05 115.31 117.67 2kgl h LEU 136 Ca -0.01 0.01 0.19 0.00 -0.12 0.00 0.00 57.88 57.95 2kgl h LEU 136 Cb 0.89 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.84 2kgl h LEU 136 CO 0.07 -0.12 0.47 1.62 -0.62 0.00 0.00 178.44 179.85 2kgl h VAL 137 N -0.26 0.67 -0.67 1.05 3.04 -1.63 0.55 116.25 119.00 2kgl h VAL 137 Ca -0.02 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.78 2kgl h VAL 137 Cb 0.18 0.68 -0.04 0.00 -2.01 0.00 0.00 31.29 30.09 2kgl h VAL 137 CO 0.04 0.00 0.44 0.28 -1.01 0.00 0.00 177.57 177.32 2kgl h SER 138 N 0.00 0.41 0.40 3.17 0.02 -1.36 -2.72 113.55 113.46 2kgl h SER 138 Ca 0.31 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2kgl h SER 138 Cb 1.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kgl h SER 138 CO -0.00 0.24 -0.19 1.56 -1.14 0.00 0.00 176.83 177.29 2kgl h GLN 139 N 0.45 -0.52 -1.23 3.45 1.08 -0.81 -3.46 115.11 114.07 2kgl h GLN 139 Ca 0.31 0.04 -0.35 0.00 -1.45 0.00 0.00 58.65 57.20 2kgl h GLN 139 Cb 0.61 0.12 -0.11 0.00 -0.05 0.00 0.00 27.48 28.05 2kgl h GLN 139 CO -0.09 -0.24 -0.35 -3.47 -0.95 0.00 0.00 178.83 173.72 2kgl n ASP 140 N -5.15 -5.08 -2.66 1.46 2.03 -1.03 -4.75 116.55 101.37 2kgl n ASP 140 Ca -0.08 0.32 -0.03 0.00 0.52 0.00 0.00 54.79 55.51 2kgl n ASP 140 Cb 0.27 -4.12 -0.00 0.00 -0.72 0.00 0.00 41.12 36.55 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 -2.54 0.16 -3.78 -0.67 0.63 -1.09 -4.87 116.66 104.50 2kgl n ARG 141 Ca -0.18 -0.68 -0.13 0.00 -0.92 0.00 0.00 57.85 55.94 2kgl n ARG 141 Cb 0.59 -0.02 -0.10 0.00 0.45 0.00 0.00 32.46 33.38 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 -0.62 0.77 -0.19 0.00 0.00 -1.26 -0.29 121.76 120.17 2kgl s ALA 143 Ca -0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 2kgl s ALA 143 Cb -0.04 -0.79 0.09 0.00 0.00 0.00 0.00 23.12 22.38 2kgl s ALA 143 CO 0.02 -0.50 0.39 -1.21 0.00 0.00 0.00 175.76 174.46 2kgl s GLU 144 N 1.94 0.29 -0.02 0.00 2.02 -0.72 -3.65 118.70 118.56 2kgl s GLU 144 Ca 0.05 0.96 0.03 0.00 0.02 0.00 0.00 54.97 56.02 2kgl s GLU 144 Cb -0.13 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.33 2kgl s GLU 144 CO -0.06 -0.27 -0.09 0.14 0.02 0.00 0.00 175.26 175.00 2kgl s VAL 145 N 2.57 0.76 -0.14 2.63 -7.23 -0.17 -0.03 120.40 118.79 2kgl s VAL 145 Ca -0.00 -0.37 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 2kgl s VAL 145 Cb -0.12 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.18 2kgl s VAL 145 CO -0.12 0.23 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.84 2kgl s THR 146 N 0.01 1.74 -0.04 5.32 2.01 -0.51 -3.99 115.64 120.18 2kgl s THR 146 Ca -0.00 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 2kgl s THR 146 Cb -0.06 -1.59 0.03 0.00 0.01 0.00 0.00 72.50 70.89 2kgl s THR 146 CO 0.00 0.49 0.05 -0.22 -0.69 0.00 0.00 174.62 174.25 2kgl s LEU 147 N 1.22 0.33 0.42 4.42 1.98 -1.26 -3.23 118.68 122.56 2kgl s LEU 147 Ca 0.00 0.06 0.03 0.00 -2.89 0.00 0.00 54.13 51.33 2kgl s LEU 147 Cb -0.14 -0.16 0.00 0.00 0.66 0.00 0.00 46.19 46.55 2kgl s LEU 147 CO -0.08 -0.23 0.61 -1.61 -1.89 0.00 0.00 176.35 173.15 2kgl s GLU 148 N 1.98 2.99 0.00 1.98 8.01 -1.26 -4.75 118.70 127.65 2kgl s GLU 148 Ca 0.03 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.24 2kgl s GLU 148 Cb -0.12 -2.66 0.00 0.00 -4.31 0.00 0.00 34.13 27.04 2kgl s GLU 148 CO -0.03 -0.21 0.51 0.41 0.01 0.00 0.00 175.26 175.94 2kgl n GLY 149 N -1.94 -1.44 2.12 -1.39 0.00 -1.26 -4.86 105.19 96.43 2kgl n GLY 149 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 2kgl n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLN 150 N 0.00 0.90 -1.83 1.61 0.00 -1.26 -5.05 117.38 111.75 2kgl n GLN 150 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 57.00 55.04 2kgl n GLN 150 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 30.24 30.57 2kgl n GLN 150 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2kgl n MET 151 N -0.55 2.01 -4.06 2.61 2.81 -1.26 -5.11 117.12 113.57 2kgl n MET 151 Ca -0.09 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.54 2kgl n MET 151 Cb 0.87 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 33.33 2kgl n MET 151 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2kgl s TYR 152 N -0.91 3.21 0.91 2.03 2.02 -1.15 -4.21 117.35 119.25 2kgl s TYR 152 Ca 0.00 0.00 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 2kgl s TYR 152 Cb 0.00 -1.54 0.14 0.00 -0.40 0.00 0.00 41.96 40.16 2kgl s TYR 152 CO 0.00 0.52 1.09 -1.25 -1.57 0.00 0.00 175.55 174.34 2kgl s PRO 153 N -3.15 1.16 0.00 -1.71 0.04 0.55 -3.65 135.00 128.24 2kgl s PRO 153 Ca 0.32 0.78 0.27 0.00 0.04 0.00 0.00 61.00 62.40 2kgl s PRO 153 Cb -0.10 -1.80 0.79 0.00 0.04 0.00 0.00 34.50 33.42 2kgl s PRO 153 CO 0.24 -2.30 1.61 0.41 0.04 0.00 0.00 177.00 177.00 2kgl n GLY 154 N -1.13 -1.31 0.22 0.56 0.00 -1.26 -4.13 105.19 98.14 2kgl n GLY 154 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 0.04 -0.12 0.00 1.61 3.64 -1.94 -3.37 116.57 116.44 2kgl h LYS 155 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2kgl h LYS 155 Cb 0.50 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2kgl h LYS 155 CO 0.00 -0.08 0.00 0.41 -2.27 0.00 0.00 179.45 177.51 2kgl n GLY 156 N -1.34 0.15 0.00 5.01 0.00 -1.26 -4.89 105.19 102.86 2kgl n GLY 156 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.21 0.00 -0.02 0.00 -1.26 -4.90 105.19 99.22 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 1.51 0.20 -0.02 0.00 -1.26 -4.85 105.19 100.77 2kgl n GLY 158 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 2kgl n GLY 158 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 159 N 0.00 0.67 -5.06 1.61 0.02 -1.96 -3.47 113.55 105.35 2kgl h SER 159 Ca 0.00 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2kgl h SER 159 Cb 0.00 -0.19 -0.10 0.00 0.14 0.00 0.00 62.40 62.25 2kgl h SER 159 CO 0.00 0.93 -1.46 1.17 -1.14 0.00 0.00 176.83 176.33 2kgl n LYS 160 N -4.38 -4.34 0.00 3.45 4.81 -1.26 -4.99 118.16 111.45 2kgl n LYS 160 Ca -0.03 3.30 0.00 0.00 -0.87 0.00 0.00 58.31 60.71 2kgl n LYS 160 Cb 0.38 -5.08 0.00 0.00 0.02 0.00 0.00 35.03 30.35 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kgl n GLU 161 N 1.51 0.00 -2.63 1.64 0.00 -1.26 -5.01 120.64 114.90 2kgl n GLU 161 Ca -0.33 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 56.77 2kgl n GLU 161 Cb 0.51 -0.24 0.01 0.00 0.00 0.00 0.00 31.44 31.72 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2kgl n LYS 162 N -2.65 -2.05 -3.82 5.31 4.81 -0.85 -5.02 118.16 113.88 2kgl n LYS 162 Ca 0.00 1.90 -0.13 0.00 -0.87 0.00 0.00 58.31 59.21 2kgl n LYS 162 Cb 0.21 -5.00 -0.14 0.00 0.02 0.00 0.00 35.03 30.12 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 -2.30 -0.03 0.99 3.14 3.84 -1.25 -4.96 114.94 114.36 2kgl s ASN 163 Ca 0.20 0.11 -0.14 0.00 0.21 0.00 0.00 52.86 53.24 2kgl s ASN 163 Cb -0.06 0.07 0.04 0.00 -0.55 0.00 0.00 41.25 40.76 2kgl s ASN 163 CO 0.65 -0.06 0.28 0.29 -2.79 0.00 0.00 177.10 175.47 2kgl n LYS 164 N 3.48 -0.54 -3.33 0.43 5.02 -1.26 -3.55 118.16 118.41 2kgl n LYS 164 Ca -0.18 -0.12 -0.17 0.00 -2.02 0.00 0.00 58.31 55.82 2kgl n LYS 164 Cb 0.56 -1.80 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 2kgl n LYS 164 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2kgl s THR 165 N -2.35 -0.30 -0.08 -0.18 -1.32 -1.26 -4.83 115.64 105.32 2kgl s THR 165 Ca 0.56 -1.17 -0.01 0.00 -1.21 0.00 0.00 61.69 59.86 2kgl s THR 165 Cb -0.19 -0.69 -0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2kgl s THR 165 CO 0.68 -0.62 -0.03 0.11 -2.21 0.00 0.00 174.62 172.55 2kgl h LYS 166 N 6.78 0.00 -0.07 7.08 1.57 -1.99 -2.94 116.57 127.01 2kgl h LYS 166 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2kgl h LYS 166 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2kgl h LYS 166 CO 0.20 0.00 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.61 2kgl h PRO 167 N -0.71 0.17 0.00 3.15 0.13 -2.03 -2.85 132.00 129.87 2kgl h PRO 167 Ca 0.00 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2kgl h PRO 167 Cb 0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2kgl h PRO 167 CO 0.00 0.61 0.00 0.93 -0.23 0.00 0.00 178.00 179.31 2kgl h GLU 168 N 0.14 0.00 -0.21 0.86 3.07 -1.96 -3.13 114.58 113.34 2kgl h GLU 168 Ca 0.01 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 2kgl h GLU 168 Cb 0.89 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.75 2kgl h GLU 168 CO 0.07 0.00 -0.08 -0.22 -1.40 0.00 0.00 179.01 177.38 2kgl h LYS 169 N 0.00 -0.04 0.00 2.33 3.64 -1.30 -2.23 116.57 118.97 2kgl h LYS 169 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 2kgl h LYS 169 Cb 0.93 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 2kgl h LYS 169 CO 0.00 -0.03 -0.61 0.00 -2.27 0.00 0.00 179.45 176.54 2kgl h ALA 170 N 1.16 0.60 -0.71 5.00 0.00 -1.70 -3.13 119.26 120.49 2kgl h ALA 170 Ca 0.11 -0.56 0.13 0.00 0.00 0.00 0.00 54.91 54.59 2kgl h ALA 170 Cb 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2kgl h ALA 170 CO -0.24 0.76 0.26 -0.22 0.00 0.00 0.00 179.25 179.81 2kgl h LYS 171 N 0.00 0.39 0.24 0.00 1.63 -1.35 0.26 116.57 117.74 2kgl h LYS 171 Ca -0.01 -0.02 -0.31 0.00 -0.85 0.00 0.00 60.65 59.46 2kgl h LYS 171 Cb 1.47 -0.09 0.04 0.00 -0.60 0.00 0.00 32.23 33.05 2kgl h LYS 171 CO 0.08 0.26 -1.37 -0.22 -3.45 0.00 0.00 179.45 174.75 2kgl h LYS 172 N 0.41 0.50 -0.48 1.90 3.64 -1.58 -3.04 116.57 117.92 2kgl h LYS 172 Ca 0.38 -0.86 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2kgl h LYS 172 Cb 0.56 0.32 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2kgl h LYS 172 CO -0.39 1.41 0.32 -0.22 -2.27 0.00 0.00 179.45 178.31 2kgl h LYS 173 N 0.06 0.38 0.00 1.90 3.64 -1.34 -0.25 116.57 120.95 2kgl h LYS 173 Ca -0.24 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.00 2kgl h LYS 173 Cb 2.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.80 2kgl h LYS 173 CO 0.26 0.25 -0.54 1.49 -2.27 0.00 0.00 179.45 178.63 2kgl h GLU 174 N 0.39 0.00 0.00 1.90 4.81 -0.58 -3.44 114.58 117.66 2kgl h GLU 174 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2kgl h GLU 174 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2kgl h GLU 174 CO -0.05 0.54 0.00 0.41 -0.73 0.00 0.00 179.01 179.18 2kgl n GLY 175 N 1.22 2.56 0.49 1.92 0.00 -0.10 -2.16 105.19 109.11 2kgl n GLY 175 Ca 0.02 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.05 -0.06 1.61 3.32 -1.73 -0.47 116.42 118.04 2kgl h ASP 176 Ca 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2kgl h ASP 176 Cb 0.00 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 2kgl h ASP 176 CO 0.00 -0.72 -0.06 1.55 -1.72 0.00 0.00 179.24 178.28 2kgl h PRO 177 N -1.28 0.15 -2.67 3.56 0.13 -1.95 -3.38 132.00 126.57 2kgl h PRO 177 Ca -0.13 -0.08 -0.61 0.00 -0.87 0.00 0.00 66.00 64.31 2kgl h PRO 177 Cb 0.95 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.66 2kgl h PRO 177 CO 0.21 0.59 -0.61 1.17 -0.23 0.00 0.00 178.00 179.13 2kgl n LYS 178 N -4.73 2.03 -1.68 0.86 3.00 -1.25 -5.02 118.16 111.38 2kgl n LYS 178 Ca -0.07 -4.49 -0.34 0.00 -0.00 0.00 0.00 58.31 53.40 2kgl n LYS 178 Cb 0.30 -2.23 -0.06 0.00 0.00 0.00 0.00 35.03 33.04 2kgl n LYS 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2kgl n PRO 179 N 1.52 1.52 0.00 1.64 -0.04 -0.18 -2.79 135.00 136.66 2kgl n PRO 179 Ca 0.24 -2.20 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 2kgl n PRO 179 Cb 0.38 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 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 7.78 0.00 0.04 0.54 0.63 -0.92 -4.91 116.66 119.84 2kgl n ARG 180 Ca 0.47 0.00 0.21 0.00 -0.92 0.00 0.00 57.85 57.61 2kgl n ARG 180 Cb 0.44 0.00 0.73 0.00 0.45 0.00 0.00 32.46 34.09 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl h ALA 181 N 0.00 2.29 -1.00 5.13 0.00 -1.69 -0.85 119.26 123.13 2kgl h ALA 181 Ca 0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 2kgl h ALA 181 Cb 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 2kgl h ALA 181 CO 0.00 -0.67 0.62 0.66 0.00 0.00 0.00 179.25 179.86 2kgl h SER 182 N 0.00 0.81 -0.78 0.00 4.64 -1.79 0.12 113.55 116.55 2kgl h SER 182 Ca 0.23 0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 2kgl h SER 182 Cb 1.07 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2kgl h SER 182 CO -0.00 0.31 0.28 0.50 -0.87 0.00 0.00 176.83 177.05 2kgl h LYS 183 N 0.80 1.18 -0.34 4.77 1.63 -1.47 0.25 116.57 123.39 2kgl h LYS 183 Ca 0.57 -0.23 -0.17 0.00 -0.85 0.00 0.00 60.65 59.96 2kgl h LYS 183 Cb 0.84 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.28 2kgl h LYS 183 CO -0.36 0.98 -0.46 0.93 -3.45 0.00 0.00 179.45 177.08 2kgl h GLU 184 N 1.14 0.92 -0.33 1.90 5.08 -1.00 -0.27 114.58 122.02 2kgl h GLU 184 Ca 0.26 -0.53 -0.18 0.00 -1.00 0.00 0.00 59.36 57.91 2kgl h GLU 184 Cb 0.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kgl h GLU 184 CO -0.02 1.18 -0.48 -0.44 -1.00 0.00 0.00 179.01 178.25 2kgl h ASP 185 N 0.73 0.98 -0.28 1.42 3.32 -0.67 -3.12 116.42 118.80 2kgl h ASP 185 Ca 0.04 -0.50 -0.18 0.00 0.02 0.00 0.00 57.03 56.42 2kgl h ASP 185 Cb 1.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 2kgl h ASP 185 CO 0.11 1.30 -0.50 0.78 -1.72 0.00 0.00 179.24 179.20 2kgl h ASN 186 N 0.71 0.95 -0.06 6.45 2.35 -0.50 -2.89 115.58 122.58 2kgl h ASN 186 Ca 0.03 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.31 2kgl h ASN 186 Cb 1.09 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 2kgl h ASN 186 CO 0.11 1.28 0.10 -0.09 -1.65 0.00 0.00 177.43 177.19 2kgl h ARG 187 N 0.68 0.00 0.11 0.81 2.43 -1.03 -1.63 114.38 115.75 2kgl h ARG 187 Ca 0.03 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.98 2kgl h ARG 187 Cb 1.10 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2kgl h ARG 187 CO 0.11 0.00 -0.93 0.00 -1.51 0.00 0.00 179.97 177.64 2kgl h ALA 188 N 1.86 -0.04 -2.53 2.80 0.00 -1.45 -3.46 119.26 116.44 2kgl h ALA 188 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2kgl h ALA 188 Cb 0.24 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2kgl h ALA 188 CO -0.00 0.47 -0.61 0.41 0.00 0.00 0.00 179.25 179.52 2kgl n GLY 189 N 1.45 -4.16 0.00 0.00 0.00 -0.61 -0.80 105.19 101.06 2kgl n GLY 189 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kgl n SER 190 N -0.74 1.99 -2.51 1.61 3.41 -1.26 -1.40 113.62 114.71 2kgl n SER 190 Ca 0.00 -0.96 -0.01 0.00 -0.26 0.00 0.00 58.87 57.64 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2kgl n ARG 191 N 0.00 -2.83 -3.66 4.33 0.00 -1.26 -4.17 116.66 109.06 2kgl n ARG 191 Ca 0.00 2.36 -0.25 0.00 -0.00 0.00 0.00 57.85 59.96 2kgl n ARG 191 Cb 0.00 -4.65 0.07 0.00 0.00 0.00 0.00 32.46 27.87 2kgl n ARG 191 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kgl n ARG 192 N 0.51 -7.34 0.00 -0.14 0.63 -1.26 -4.80 116.66 104.25 2kgl n ARG 192 Ca 0.01 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 2kgl n ARG 192 Cb 0.03 -5.79 0.00 0.00 0.45 0.00 0.00 32.46 27.15 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kgl n GLU 193 N -4.89 0.00 -3.07 -0.14 4.07 -1.26 -5.11 120.64 110.24 2kgl n GLU 193 Ca -0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2kgl n GLU 193 Cb 0.56 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.96 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kgl n ASP 194 N -1.83 -7.07 0.00 4.31 9.92 -0.50 -4.98 116.55 116.40 2kgl n ASP 194 Ca 0.00 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 2kgl n ASP 194 Cb 0.00 -3.87 0.00 0.00 -0.64 0.00 0.00 41.12 36.61 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22