#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 4.84 0.14 0.00 -1.08 -1.26 -4.76 116.67 114.54 2kgl s ASP 2 Ca 0.00 -0.03 0.08 0.00 -0.52 0.00 0.00 52.55 52.08 2kgl s ASP 2 Cb 0.00 -1.50 -0.04 0.00 -1.46 0.00 0.00 42.92 39.92 2kgl s ASP 2 CO 0.00 0.28 -0.13 0.42 0.52 0.00 0.00 175.17 176.27 2kgl s THR 3 N -0.33 3.11 1.05 1.71 -4.23 -1.26 -5.13 115.64 110.55 2kgl s THR 3 Ca 0.05 -1.50 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 2kgl s THR 3 Cb -0.12 -2.48 0.21 0.00 1.34 0.00 0.00 72.50 71.45 2kgl s THR 3 CO 0.02 0.02 1.10 -2.16 -0.54 0.00 0.00 174.62 173.06 2kgl s PRO 4 N -2.41 0.02 -0.30 3.99 0.04 -1.26 -5.08 135.00 130.00 2kgl s PRO 4 Ca 0.21 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.50 2kgl s PRO 4 Cb -0.10 -1.70 0.18 0.00 0.04 0.00 0.00 34.50 32.92 2kgl s PRO 4 CO 0.13 -2.98 1.08 0.20 0.04 0.00 0.00 177.00 175.48 2kgl s GLY 5 N -3.53 -0.58 0.00 0.56 0.00 -1.26 -5.03 107.32 97.49 2kgl s GLY 5 Ca 0.67 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.91 2kgl s GLY 5 CO 0.57 3.99 0.00 -2.21 0.00 0.00 0.00 173.10 175.45 2kgl n GLU 6 N 5.30 0.00 -3.12 2.90 4.07 -1.26 -5.02 120.64 123.51 2kgl n GLU 6 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.84 2kgl n GLU 6 Cb 0.56 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.88 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kgl n ALA 7 N -0.28 4.39 -1.77 4.31 0.00 -1.26 -5.08 120.51 120.82 2kgl n ALA 7 Ca 0.00 -4.69 -0.38 0.00 0.00 0.00 0.00 53.44 48.36 2kgl n ALA 7 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.68 3.08 0.96 0.00 -1.32 -1.26 -5.02 115.64 108.40 2kgl s THR 8 Ca 0.45 0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 61.73 2kgl s THR 8 Cb 0.23 -3.52 0.17 0.00 -1.51 0.00 0.00 72.50 67.87 2kgl s THR 8 CO -0.09 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.35 2kgl s PRO 9 N -2.26 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.26 2kgl s PRO 9 Ca 0.57 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.11 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 -4.96 0.73 -1.09 0.56 0.04 -1.26 -4.88 135.00 124.15 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 32.49 2kgl s PRO 10 CO 0.57 -2.55 1.93 -0.35 0.04 0.00 0.00 177.00 176.64 2kgl n PRO 11 N -4.07 1.56 0.13 0.56 -0.04 -1.26 -4.73 135.00 127.15 2kgl n PRO 11 Ca 0.06 -2.32 -0.12 0.00 -0.04 0.00 0.00 63.50 61.08 2kgl n PRO 11 Cb 0.56 -3.55 -0.07 0.00 -0.04 0.00 0.00 33.50 30.40 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 9.34 -0.37 0.00 0.54 3.08 -1.89 -3.45 114.38 121.62 2kgl h ARG 12 Ca 0.26 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2kgl h ARG 12 Cb 0.88 0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2kgl h ARG 12 CO 1.39 -0.03 0.00 1.63 -1.07 0.00 0.00 179.97 181.89 2kgl n LYS 13 N -5.06 0.00 -0.29 0.04 5.02 -1.26 -4.88 118.16 111.73 2kgl n LYS 13 Ca -0.08 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.38 2kgl n LYS 13 Cb 0.26 -0.16 0.45 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.50 -1.25 1.97 2.10 -1.90 0.13 116.57 118.12 2kgl h LYS 14 Ca 0.00 -0.03 -0.67 0.00 -2.00 0.00 0.00 60.65 57.95 2kgl h LYS 14 Cb 0.00 -0.11 -0.33 0.00 -0.90 0.00 0.00 32.23 30.89 2kgl h LYS 14 CO 0.00 0.33 0.43 1.17 -2.00 0.00 0.00 179.45 179.38 2kgl n LYS 15 N -4.60 2.96 0.00 0.07 0.00 -1.26 -2.45 118.16 112.88 2kgl n LYS 15 Ca 0.21 -3.65 0.00 0.00 0.00 0.00 0.00 58.31 54.88 2kgl n LYS 15 Cb 0.69 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kgl n ASP 16 N -0.74 0.62 -2.36 3.14 9.92 0.03 -4.88 116.55 122.27 2kgl n ASP 16 Ca 0.55 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.76 2kgl n ASP 16 Cb 0.62 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.06 2kgl n ASP 16 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kgl n ILE 17 N -2.75-11.10 -1.68 0.53 2.08 -1.22 -4.55 119.36 100.67 2kgl n ILE 17 Ca 0.00 2.30 -0.48 0.00 0.56 0.00 0.00 62.75 65.13 2kgl n ILE 17 Cb 0.38 -5.96 -0.05 0.00 -0.75 0.00 0.00 39.64 33.26 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 1.39 2.24 -1.28 0.38 0.00 -1.26 -0.03 116.66 118.10 2kgl n ARG 18 Ca -0.33 0.82 -0.10 0.00 -0.00 0.00 0.00 57.85 58.24 2kgl n ARG 18 Cb 0.51 -2.67 -0.04 0.00 0.00 0.00 0.00 32.46 30.26 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 6.57 -5.26 -2.72 6.15 -0.08 -1.26 -0.16 116.55 119.79 2kgl n ASP 19 Ca 0.22 0.24 -0.14 0.00 -1.51 0.00 0.00 54.79 53.60 2kgl n ASP 19 Cb 0.30 -3.62 -0.00 0.00 2.34 0.00 0.00 41.12 40.14 2kgl n ASP 19 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kgl n TYR 20 N -2.36 -1.58 0.00 -0.67 4.01 0.96 -4.12 117.16 113.40 2kgl n TYR 20 Ca -0.10 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2kgl n TYR 20 Cb 0.50 -2.69 0.00 0.00 -0.31 0.00 0.00 39.34 36.84 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kgl n ASN 21 N -1.93 0.00 0.30 7.72 4.05 -1.03 -4.95 115.26 119.43 2kgl n ASN 21 Ca -0.10 0.00 0.19 0.00 0.45 0.00 0.00 54.58 55.12 2kgl n ASN 21 Cb 0.58 0.00 1.01 0.00 1.23 0.00 0.00 39.78 42.60 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2kgl h ASP 22 N 0.00 0.00 -0.60 1.20 1.82 -0.71 -2.36 116.42 115.77 2kgl h ASP 22 Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 57.03 56.76 2kgl h ASP 22 Cb 0.00 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 39.92 2kgl h ASP 22 CO 0.00 0.00 0.09 0.00 -1.61 0.00 0.00 179.24 177.72 2kgl h ALA 23 N 1.81 0.68 -0.94 -0.78 0.00 -1.81 0.59 119.26 118.80 2kgl h ALA 23 Ca 0.02 0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.26 2kgl h ALA 23 Cb 0.25 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 2kgl h ALA 23 CO -0.00 -0.34 0.60 -0.44 0.00 0.00 0.00 179.25 179.07 2kgl h ASP 24 N 0.21 0.64 -0.28 0.00 3.32 -1.74 -0.94 116.42 117.63 2kgl h ASP 24 Ca 0.32 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2kgl h ASP 24 Cb 0.49 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2kgl h ASP 24 CO -0.44 0.28 0.18 -0.03 -1.72 0.00 0.00 179.24 177.51 2kgl h MET 25 N 0.65 0.37 -0.93 3.56 4.05 -1.04 -1.95 114.93 119.65 2kgl h MET 25 Ca 0.50 -0.02 0.27 0.00 -0.28 0.00 0.00 59.70 60.16 2kgl h MET 25 Cb 0.90 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.58 2kgl h MET 25 CO -0.26 0.25 0.66 0.00 0.23 0.00 0.00 176.91 177.80 2kgl h ALA 26 N 1.10 2.85 -0.92 0.39 0.00 -0.99 0.19 119.26 121.87 2kgl h ALA 26 Ca 0.10 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kgl h ALA 26 Cb -0.04 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2kgl h ALA 26 CO -0.02 -1.12 0.61 -0.09 0.00 0.00 0.00 179.25 178.63 2kgl h ARG 27 N 0.02 1.22 -0.89 0.00 1.12 -1.29 -1.84 114.38 112.73 2kgl h ARG 27 Ca 0.44 -0.08 0.22 0.00 -1.11 0.00 0.00 59.98 59.46 2kgl h ARG 27 Cb 1.75 -0.27 -0.06 0.00 -0.01 0.00 0.00 29.97 31.38 2kgl h ARG 27 CO -0.01 0.82 0.60 1.37 -3.11 0.00 0.00 179.97 179.64 2kgl h LEU 28 N 1.26 0.26 -1.36 3.80 8.10 -0.70 0.22 115.31 126.88 2kgl h LEU 28 Ca 0.34 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.36 2kgl h LEU 28 Cb -0.13 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 40.04 2kgl h LEU 28 CO -0.07 0.10 0.38 0.25 -4.11 0.00 0.00 178.44 174.98 2kgl h LEU 29 N 0.25 0.71 -1.09 0.17 6.46 -1.43 -1.44 115.31 118.94 2kgl h LEU 29 Ca 0.45 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 58.09 2kgl h LEU 29 Cb 1.35 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2kgl h LEU 29 CO -0.12 0.54 -0.43 -0.33 -0.62 0.00 0.00 178.44 177.47 2kgl h GLU 30 N 0.83 0.00 -0.56 1.25 4.39 -0.67 -3.14 114.58 116.68 2kgl h GLU 30 Ca 0.22 0.00 0.11 0.00 0.34 0.00 0.00 59.36 60.03 2kgl h GLU 30 Cb -0.05 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.51 2kgl h GLU 30 CO -0.04 0.43 0.06 0.37 -1.16 0.00 0.00 179.01 178.67 2kgl h GLN 31 N 0.00 0.17 -0.88 2.33 4.15 -1.12 -0.03 115.11 119.72 2kgl h GLN 31 Ca -0.00 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.57 2kgl h GLN 31 Cb 0.82 -0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.37 2kgl h GLN 31 CO 0.06 0.11 0.47 2.35 -1.93 0.00 0.00 178.83 179.89 2kgl h TRP 32 N 0.18 0.81 -0.09 3.99 2.91 -1.61 0.12 115.95 122.25 2kgl h TRP 32 Ca 0.29 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 60.21 2kgl h TRP 32 Cb 0.44 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 2kgl h TRP 32 CO -0.29 0.18 -0.55 0.93 -1.03 0.00 0.00 178.44 177.67 2kgl h GLU 33 N 0.63 0.27 0.00 2.65 4.39 -1.21 -2.79 114.58 118.52 2kgl h GLU 33 Ca 0.49 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 2kgl h GLU 33 Cb 0.73 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2kgl h GLU 33 CO -0.38 0.75 -0.02 1.57 -1.16 0.00 0.00 179.01 179.77 2kgl h LYS 34 N 0.21 0.00 -0.71 2.33 5.09 0.58 -2.29 116.57 121.78 2kgl h LYS 34 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.82 2kgl h LYS 34 Cb 1.03 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.30 2kgl h LYS 34 CO 0.09 0.02 0.38 0.22 -2.09 0.00 0.00 179.45 178.07 2kgl h ASP 35 N 0.00 0.55 0.10 7.07 3.58 -0.89 0.30 116.42 127.14 2kgl h ASP 35 Ca -0.00 0.04 -0.36 0.00 0.42 0.00 0.00 57.03 57.13 2kgl h ASP 35 Cb 0.53 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2kgl h ASP 35 CO 0.00 0.34 -2.00 -0.67 -2.88 0.00 0.00 179.24 174.03 2kgl n ASP 36 N -4.80 2.09 0.00 2.28 2.03 -1.16 -4.61 116.55 112.38 2kgl n ASP 36 Ca 0.10 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2kgl n ASP 36 Cb 0.22 -0.83 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 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 -3.55 0.00 -2.43 1.67 8.00 -0.87 -5.02 116.55 114.35 2kgl n ASP 37 Ca -0.34 0.79 -0.04 0.00 0.71 0.00 0.00 54.79 55.92 2kgl n ASP 37 Cb 1.01 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kgl n ILE 38 N -1.94 -8.79 0.00 0.53 5.41 0.11 -5.03 119.36 109.64 2kgl n ILE 38 Ca 0.00 0.89 0.00 0.00 1.00 0.00 0.00 62.75 64.64 2kgl n ILE 38 Cb 0.00 -6.29 0.00 0.00 -0.71 0.00 0.00 39.64 32.64 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 -0.06 0.00 -0.87 0.38 4.07 -1.26 -5.10 120.64 117.80 2kgl n GLU 39 Ca 0.06 0.25 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 2kgl n GLU 39 Cb 0.21 -0.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2kgl n GLU 40 N -1.53 0.00 0.00 5.31 2.13 -1.26 -5.07 120.64 120.21 2kgl n GLU 40 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kgl n GLU 40 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kgl n GLY 41 N 0.00 0.60 3.66 8.31 0.00 -1.26 -4.23 105.19 112.27 2kgl n GLY 41 Ca 0.00 0.06 -0.51 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.69 -4.38 1.61 2.03 -1.26 -4.13 116.55 113.11 2kgl n ASP 42 Ca 0.00 1.06 -0.20 0.00 0.52 0.00 0.00 54.79 56.17 2kgl n ASP 42 Cb 0.00 -1.29 -0.10 0.00 -0.72 0.00 0.00 41.12 39.01 2kgl n ASP 42 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kgl s LEU 43 N 2.33 2.53 -0.30 -2.67 1.02 -1.26 -5.03 118.68 115.30 2kgl s LEU 43 Ca 0.89 -1.08 -0.29 0.00 0.02 0.00 0.00 54.13 53.67 2kgl s LEU 43 Cb -0.84 -0.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.66 2kgl s LEU 43 CO 0.50 -0.22 1.66 -2.16 0.02 0.00 0.00 176.35 176.16 2kgl s PRO 44 N -3.67 3.56 -0.25 1.29 0.04 -1.26 -4.08 135.00 130.64 2kgl s PRO 44 Ca 0.26 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 2kgl s PRO 44 Cb 0.01 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.45 2kgl s PRO 44 CO 0.09 -1.58 0.19 -1.91 0.04 0.00 0.00 177.00 173.84 2kgl n GLU 45 N 8.06 -2.01 0.03 4.56 2.13 -1.26 -4.87 120.64 127.28 2kgl n GLU 45 Ca 0.20 1.83 0.08 0.00 0.66 0.00 0.00 57.16 59.94 2kgl n GLU 45 Cb 0.46 -4.13 0.35 0.00 0.27 0.00 0.00 31.44 28.39 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 0.08 0.19 0.00 4.31 1.44 -1.26 -3.92 115.22 116.06 2kgl n HIS 46 Ca 0.04 0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2kgl n HIS 46 Cb 0.15 -0.62 0.00 0.00 0.12 0.00 0.00 29.99 29.63 2kgl n HIS 46 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kgl n LYS 47 N -1.67 0.00 -3.16 -1.40 5.02 -1.26 -2.65 118.16 113.04 2kgl n LYS 47 Ca 0.03 0.38 -0.21 0.00 -2.02 0.00 0.00 58.31 56.50 2kgl n LYS 47 Cb 0.18 -1.14 0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -1.23 -2.11 -2.18 1.97 5.12 -1.25 -3.86 116.66 113.11 2kgl n ARG 48 Ca 0.00 1.77 -0.42 0.00 -1.93 0.00 0.00 57.85 57.26 2kgl n ARG 48 Cb 0.00 -3.70 -0.03 0.00 -1.16 0.00 0.00 32.46 27.57 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 -2.35 4.29 0.26 5.56 0.04 -1.26 -4.80 135.00 136.74 2kgl s PRO 49 Ca 0.27 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.42 2kgl s PRO 49 Cb -0.05 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 2kgl s PRO 49 CO 0.76 -0.55 0.09 -1.12 0.04 0.00 0.00 177.00 176.22 2kgl s SER 50 N 1.74 4.98 0.14 6.66 0.01 -1.26 -5.14 113.70 120.84 2kgl s SER 50 Ca 0.65 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 57.46 2kgl s SER 50 Cb -0.33 -1.09 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 2kgl s SER 50 CO 0.28 -0.03 -0.05 0.00 0.41 0.00 0.00 173.24 173.85 2kgl s ALA 51 N -2.24 1.27 -0.91 1.44 0.00 -1.26 -4.68 121.76 115.38 2kgl s ALA 51 Ca 0.32 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.55 2kgl s ALA 51 Cb -0.07 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2kgl s ALA 51 CO 0.22 -0.22 1.95 -1.25 0.00 0.00 0.00 175.76 176.46 2kgl s PRO 52 N -3.84 2.55 -0.08 0.00 0.04 -1.25 -4.64 135.00 127.79 2kgl s PRO 52 Ca 0.18 -0.30 0.13 0.00 0.04 0.00 0.00 61.00 61.04 2kgl s PRO 52 Cb 0.05 -5.07 0.24 0.00 0.04 0.00 0.00 34.50 29.76 2kgl s PRO 52 CO 0.00 -3.39 1.12 0.44 0.04 0.00 0.00 177.00 175.21 2kgl n ILE 53 N 7.88 0.96 -1.86 0.56 -5.35 -1.26 -4.92 119.36 115.36 2kgl n ILE 53 Ca 0.40 -1.44 -0.31 0.00 -0.27 0.00 0.00 62.75 61.13 2kgl n ILE 53 Cb 0.47 0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.62 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 -2.15 6.19 0.00 7.28 1.47 -1.26 -5.02 116.67 123.18 2kgl s ASP 54 Ca 0.23 1.43 0.00 0.00 1.18 0.00 0.00 52.55 55.39 2kgl s ASP 54 Cb 0.22 -2.47 0.00 0.00 -0.34 0.00 0.00 42.92 40.33 2kgl s ASP 54 CO -0.04 -0.89 0.76 0.49 0.68 0.00 0.00 175.17 176.17 2kgl n PHE 55 N -2.76 0.00 -3.27 2.11 3.72 -1.26 -4.93 117.46 111.07 2kgl n PHE 55 Ca 0.06 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.37 2kgl n PHE 55 Cb 0.54 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 2kgl n PHE 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2kgl n SER 56 N -1.55 -6.93 -1.28 4.37 7.64 -1.24 -4.95 113.62 109.67 2kgl n SER 56 Ca 0.00 -0.38 -0.06 0.00 1.01 0.00 0.00 58.87 59.44 2kgl n SER 56 Cb 0.00 -4.46 -0.04 0.00 -1.01 0.00 0.00 64.21 58.71 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 57 N -2.27 0.22 -0.03 1.43 4.81 -1.26 -5.00 118.16 116.05 2kgl n LYS 57 Ca -0.08 -1.09 -0.02 0.00 -0.87 0.00 0.00 58.31 56.25 2kgl n LYS 57 Cb 0.56 0.45 -0.01 0.00 0.02 0.00 0.00 35.03 36.05 2kgl n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kgl n LEU 58 N -0.21 0.83 -4.92 3.14 -0.00 -1.26 -4.98 117.00 109.59 2kgl n LEU 58 Ca -0.25 0.43 -0.26 0.00 -0.00 0.00 0.00 56.01 55.93 2kgl n LEU 58 Cb 0.75 -0.67 -0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2kgl n LEU 58 CO -0.14 -0.49 0.34 -1.81 -0.00 0.00 0.00 177.39 175.30 2kgl s ASP 59 N -4.53 6.20 -1.11 1.96 1.11 -1.26 -4.97 116.67 114.08 2kgl s ASP 59 Ca -0.07 0.71 -0.23 0.00 0.18 0.00 0.00 52.55 53.14 2kgl s ASP 59 Cb 0.01 -2.09 -0.10 0.00 1.07 0.00 0.00 42.92 41.80 2kgl s ASP 59 CO 0.10 -0.52 1.93 -0.81 1.18 0.00 0.00 175.17 177.05 2kgl n PRO 60 N -2.10 1.57 0.00 8.23 -0.04 -1.26 -4.66 135.00 136.73 2kgl n PRO 60 Ca -0.01 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 2kgl n PRO 60 Cb 0.56 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 2kgl n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 61 N 5.58 0.94 3.64 0.55 0.00 -1.26 -4.99 105.19 109.65 2kgl n GLY 61 Ca 0.46 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 45.46 2kgl n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 62 N 0.00 0.04 0.80 1.61 -2.85 -1.26 -4.98 119.74 113.10 2kgl s LYS 62 Ca 0.00 -0.01 -0.11 0.00 -1.00 0.00 0.00 55.97 54.85 2kgl s LYS 62 Cb 0.00 0.02 0.07 0.00 -2.06 0.00 0.00 37.83 35.86 2kgl s LYS 62 CO 0.00 -0.02 1.09 -1.25 0.10 0.00 0.00 175.35 175.27 2kgl s PRO 63 N -1.79 2.04 0.32 1.78 0.04 -1.26 -4.96 135.00 131.16 2kgl s PRO 63 Ca 0.11 1.10 0.17 0.00 0.04 0.00 0.00 61.00 62.42 2kgl s PRO 63 Cb -0.01 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.79 2kgl s PRO 63 CO -0.04 -1.78 1.49 0.93 0.04 0.00 0.00 177.00 177.64 2kgl h GLU 64 N -1.22 0.00 -0.98 4.56 3.07 -2.01 -3.28 114.58 114.70 2kgl h GLU 64 Ca -0.45 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 58.58 2kgl h GLU 64 Cb 1.24 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.06 2kgl h GLU 64 CO 0.52 0.39 0.61 0.77 -1.40 0.00 0.00 179.01 179.90 2kgl h SER 65 N 0.00 0.78 -0.13 1.42 0.02 -1.93 0.24 113.55 113.95 2kgl h SER 65 Ca -0.00 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.05 2kgl h SER 65 Cb 1.29 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2kgl h SER 65 CO 0.05 0.34 0.10 0.40 -1.14 0.00 0.00 176.83 176.58 2kgl h ILE 66 N 0.79 0.83 -0.85 3.27 2.04 -1.94 -1.45 117.51 120.20 2kgl h ILE 66 Ca 0.53 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.43 2kgl h ILE 66 Cb 0.78 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2kgl h ILE 66 CO -0.31 0.00 0.56 -0.07 0.00 0.00 0.00 178.15 178.33 2kgl h LEU 67 N 0.00 0.90 -2.34 1.44 3.38 -0.72 -0.56 115.31 117.41 2kgl h LEU 67 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2kgl h LEU 67 Cb 0.26 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kgl h LEU 67 CO -0.00 0.61 -0.00 0.50 0.09 0.00 0.00 178.44 179.64 2kgl h LYS 68 N 1.04 0.00 -0.73 1.13 3.11 -1.34 -2.36 116.57 117.43 2kgl h LYS 68 Ca 0.34 0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.31 2kgl h LYS 68 Cb 0.05 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.19 2kgl h LYS 68 CO -0.10 0.00 0.28 1.98 -2.81 0.00 0.00 179.45 178.80 2kgl h MET 69 N 0.00 0.43 -5.71 1.90 4.05 -1.19 -3.42 114.93 110.99 2kgl h MET 69 Ca -0.00 -0.03 -0.34 0.00 -0.28 0.00 0.00 59.70 59.06 2kgl h MET 69 Cb 0.01 -0.10 0.15 0.00 -0.80 0.00 0.00 31.60 30.86 2kgl h MET 69 CO 0.00 0.28 -0.80 2.41 0.23 0.00 0.00 176.91 179.04 2kgl n THR 70 N -5.00 -6.16 -2.28 -0.77 -1.04 -0.89 -4.40 114.28 93.74 2kgl n THR 70 Ca 0.13 -0.63 -0.03 0.00 -2.04 0.00 0.00 64.05 61.49 2kgl n THR 70 Cb 0.38 -4.98 -0.02 0.00 -1.82 0.00 0.00 70.33 63.90 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 -4.03 -4.14 0.22 -2.82 4.81 -1.26 -4.61 118.16 106.32 2kgl n LYS 71 Ca -0.26 3.14 -0.09 0.00 -0.87 0.00 0.00 58.31 60.23 2kgl n LYS 71 Cb 0.66 -4.26 -0.04 0.00 0.02 0.00 0.00 35.03 31.41 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 3.52 -0.56 0.00 1.64 3.11 -1.94 -3.49 116.57 118.85 2kgl h LYS 72 Ca -0.25 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2kgl h LYS 72 Cb 0.57 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 2kgl h LYS 72 CO 0.00 -0.37 0.00 0.41 -2.81 0.00 0.00 179.45 176.68 2kgl n GLY 73 N -1.29 1.62 3.00 5.01 0.00 -1.26 -5.02 105.19 107.25 2kgl n GLY 73 Ca -0.07 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.42 0.64 1.61 0.00 -1.26 -1.06 119.74 120.09 2kgl s LYS 74 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 55.97 55.40 2kgl s LYS 74 Cb 0.00 -0.27 0.16 0.00 0.00 0.00 0.00 37.83 37.72 2kgl s LYS 74 CO 0.00 0.06 0.51 0.25 0.00 0.00 0.00 175.35 176.17 2kgl n THR 75 N 2.18 0.00 -4.11 3.79 -2.24 -1.24 -4.71 114.28 107.96 2kgl n THR 75 Ca -0.18 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 2kgl n THR 75 Cb 0.56 -0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 67.70 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kgl s LEU 76 N 0.00 1.78 -0.29 3.22 2.34 -1.26 -4.72 118.68 119.75 2kgl s LEU 76 Ca 0.34 -0.08 -0.09 0.00 0.06 0.00 0.00 54.13 54.36 2kgl s LEU 76 Cb -0.04 -0.27 0.13 0.00 -0.56 0.00 0.00 46.19 45.45 2kgl s LEU 76 CO 0.27 0.02 0.63 0.00 -1.06 0.00 0.00 176.35 176.20 2kgl s MET 77 N 0.21 0.56 -0.15 1.48 0.23 -1.22 -3.32 119.30 117.09 2kgl s MET 77 Ca -0.02 1.40 -0.12 0.00 -1.03 0.00 0.00 55.69 55.92 2kgl s MET 77 Cb -0.06 0.81 0.04 0.00 -1.53 0.00 0.00 34.83 34.10 2kgl s MET 77 CO -0.00 -0.23 0.38 -1.64 -2.03 0.00 0.00 175.02 171.50 2kgl s MET 78 N 2.87 0.42 -0.08 3.16 -1.94 -0.56 -1.39 119.30 121.78 2kgl s MET 78 Ca -0.04 0.58 -0.03 0.00 -1.71 0.00 0.00 55.69 54.49 2kgl s MET 78 Cb -0.12 0.15 0.04 0.00 2.01 0.00 0.00 34.83 36.91 2kgl s MET 78 CO -0.19 -0.08 0.13 -0.06 -0.01 0.00 0.00 175.02 174.81 2kgl s PHE 79 N 0.51 -0.10 -0.07 -0.03 0.08 -0.76 -2.52 117.98 115.09 2kgl s PHE 79 Ca -0.03 0.47 -0.12 0.00 0.12 0.00 0.00 56.93 57.37 2kgl s PHE 79 Cb -0.04 -0.34 0.03 0.00 -0.57 0.00 0.00 43.02 42.09 2kgl s PHE 79 CO -0.03 -0.26 0.31 0.54 -0.10 0.00 0.00 175.22 175.68 2kgl s VAL 80 N 2.25 0.03 -0.40 -0.44 0.11 -1.18 -0.03 120.40 120.73 2kgl s VAL 80 Ca 0.04 -0.22 0.03 0.00 -2.93 0.00 0.00 61.98 58.90 2kgl s VAL 80 Cb -0.12 -0.52 0.16 0.00 -1.53 0.00 0.00 36.38 34.38 2kgl s VAL 80 CO -0.05 -0.12 0.35 0.28 -3.33 0.00 0.00 175.10 172.23 2kgl s THR 81 N -0.49 0.10 -0.22 5.04 -1.32 0.83 -2.35 115.64 117.24 2kgl s THR 81 Ca -0.06 -2.13 -0.32 0.00 -1.21 0.00 0.00 61.69 57.96 2kgl s THR 81 Cb -0.04 -1.05 0.15 0.00 -1.51 0.00 0.00 72.50 70.06 2kgl s THR 81 CO 0.02 -1.01 1.22 0.54 -2.21 0.00 0.00 174.62 173.18 2kgl s VAL 82 N 0.49 0.00 -0.01 5.08 0.11 0.86 -2.65 120.40 124.28 2kgl s VAL 82 Ca 0.28 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 2kgl s VAL 82 Cb -0.04 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.74 2kgl s VAL 82 CO -0.12 0.00 1.69 -0.94 -3.33 0.00 0.00 175.10 172.40 2kgl s SER 83 N -1.63 6.63 0.28 3.54 1.04 -1.26 -3.16 113.70 119.14 2kgl s SER 83 Ca 0.07 2.35 0.00 0.00 0.48 0.00 0.00 55.95 58.85 2kgl s SER 83 Cb -0.01 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2kgl s SER 83 CO -0.05 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2kgl n GLY 84 N 4.15 -3.51 0.00 7.32 0.00 -1.26 -4.78 105.19 107.11 2kgl n GLY 84 Ca 0.17 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.77 0.00 -4.56 1.61 4.05 -1.26 -4.64 115.26 108.70 2kgl n ASN 85 Ca 0.00 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.72 2kgl n ASN 85 Cb 0.18 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 41.14 2kgl n ASN 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2kgl s PRO 86 N -1.72 2.58 0.00 1.20 0.04 -1.26 -4.34 135.00 131.51 2kgl s PRO 86 Ca 0.00 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.10 2kgl s PRO 86 Cb 0.00 -4.80 0.02 0.00 0.04 0.00 0.00 34.50 29.75 2kgl s PRO 86 CO 0.00 -3.13 0.70 0.25 0.04 0.00 0.00 177.00 174.86 2kgl n THR 87 N 7.62 0.00 0.00 1.26 -2.24 -1.26 -4.93 114.28 114.74 2kgl n THR 87 Ca 0.33 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2kgl n THR 87 Cb 0.49 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2kgl n THR 87 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2kgl n GLU 88 N 0.02 0.00 0.25 -0.78 2.13 -1.26 -0.08 120.64 120.92 2kgl n GLU 88 Ca -0.08 0.54 0.13 0.00 0.66 0.00 0.00 57.16 58.41 2kgl n GLU 88 Cb 0.59 -1.49 0.59 0.00 0.27 0.00 0.00 31.44 31.41 2kgl n GLU 88 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2kgl h LYS 89 N 0.00 0.00 -0.21 5.31 2.10 -1.98 -3.03 116.57 118.75 2kgl h LYS 89 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 2kgl h LYS 89 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kgl h LYS 89 CO 0.00 0.12 -0.24 1.49 -2.00 0.00 0.00 179.45 178.83 2kgl h GLU 90 N 0.00 0.54 -0.85 0.07 4.81 -1.90 -3.00 114.58 114.25 2kgl h GLU 90 Ca -0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 2kgl h GLU 90 Cb 0.60 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 2kgl h GLU 90 CO 0.02 0.88 0.44 1.79 -0.73 0.00 0.00 179.01 181.40 2kgl h THR 91 N 0.22 1.25 0.00 0.32 1.35 -0.37 -1.81 112.91 113.87 2kgl h THR 91 Ca 0.03 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 2kgl h THR 91 Cb 0.79 0.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2kgl h THR 91 CO 0.06 0.29 -0.10 -0.08 -0.25 0.00 0.00 175.52 175.44 2kgl h GLU 92 N 1.20 0.00 0.00 4.72 4.81 -1.52 -1.38 114.58 122.40 2kgl h GLU 92 Ca 0.30 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2kgl h GLU 92 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2kgl h GLU 92 CO -0.04 0.10 -0.41 0.93 -0.73 0.00 0.00 179.01 178.86 2kgl h GLU 93 N 0.00 0.00 -0.91 1.92 3.07 -1.20 -3.27 114.58 114.19 2kgl h GLU 93 Ca -0.00 0.00 0.26 0.00 -0.50 0.00 0.00 59.36 59.12 2kgl h GLU 93 Cb 0.19 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 2kgl h GLU 93 CO 0.01 0.38 0.66 0.82 -1.40 0.00 0.00 179.01 179.48 2kgl h ILE 94 N 0.00 0.54 -0.43 3.13 1.08 -0.73 0.28 117.51 121.38 2kgl h ILE 94 Ca -0.01 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.36 2kgl h ILE 94 Cb 1.30 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.58 2kgl h ILE 94 CO 0.05 0.00 -0.14 0.00 -0.69 0.00 0.00 178.15 177.37 2kgl h THR 95 N 0.00 1.26 -0.12 -0.27 1.03 -1.69 0.31 112.91 113.44 2kgl h THR 95 Ca 0.43 -1.23 -0.05 0.00 -0.01 0.00 0.00 66.41 65.55 2kgl h THR 95 Cb 1.74 1.08 -0.00 0.00 -1.07 0.00 0.00 68.15 69.90 2kgl h THR 95 CO -0.00 0.42 -0.14 -1.28 -0.01 0.00 0.00 175.52 174.51 2kgl h SER 96 N 0.72 0.33 -0.14 0.00 0.87 -0.67 -3.18 113.55 111.47 2kgl h SER 96 Ca 0.11 -0.50 -0.16 0.00 -1.23 0.00 0.00 61.79 60.02 2kgl h SER 96 Cb 0.64 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2kgl h SER 96 CO 0.04 0.76 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.57 2kgl h LEU 97 N -0.10 0.76 -1.80 2.23 3.38 -1.40 -2.99 115.31 115.38 2kgl h LEU 97 Ca 0.02 -0.37 0.22 0.00 0.09 0.00 0.00 57.88 57.84 2kgl h LEU 97 Cb 0.68 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2kgl h LEU 97 CO 0.03 1.10 0.58 -0.25 0.09 0.00 0.00 178.44 180.00 2kgl h TRP 98 N 0.56 0.21 -0.95 1.13 7.01 -0.41 0.71 115.95 124.22 2kgl h TRP 98 Ca 0.03 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.17 2kgl h TRP 98 Cb 1.02 -0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.93 2kgl h TRP 98 CO 0.05 0.06 0.60 0.37 -2.79 0.00 0.00 178.44 176.73 2kgl h GLN 99 N 0.16 0.83 0.21 2.65 5.75 -1.50 0.26 115.11 123.47 2kgl h GLN 99 Ca 0.41 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.85 2kgl h GLN 99 Cb 1.38 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.74 2kgl h GLN 99 CO -0.07 0.55 -0.10 0.78 -2.65 0.00 0.00 178.83 177.34 2kgl h GLY 100 N 0.86 -0.29 2.00 2.39 0.00 -1.03 -3.22 103.07 103.78 2kgl h GLY 100 Ca 0.47 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.90 2kgl h GLY 100 CO -0.24 -0.11 -0.04 0.23 0.00 0.00 0.00 176.54 176.38 2kgl h SER 101 N -0.80 0.00 -0.84 0.19 0.87 -1.45 -1.87 113.55 109.65 2kgl h SER 101 Ca -0.03 0.00 0.24 0.00 -1.23 0.00 0.00 61.79 60.77 2kgl h SER 101 Cb 0.51 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 2kgl h SER 101 CO 0.05 0.04 0.60 0.25 -0.53 0.00 0.00 176.83 177.24 2kgl h LEU 102 N 0.00 0.03 -1.61 2.23 6.46 -0.49 0.15 115.31 122.07 2kgl h LEU 102 Ca -0.00 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 57.93 2kgl h LEU 102 Cb 0.08 -0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.96 2kgl h LEU 102 CO 0.01 0.01 0.52 0.15 -0.62 0.00 0.00 178.44 178.51 2kgl h PHE 103 N 0.02 0.45 -0.07 1.25 3.57 -1.44 0.24 116.94 120.96 2kgl h PHE 103 Ca 0.40 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.93 2kgl h PHE 103 Cb 1.56 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 40.16 2kgl h PHE 103 CO -0.00 0.16 0.12 -0.97 -2.23 0.00 0.00 178.31 175.39 2kgl h ASN 104 N 0.37 0.00 -0.36 0.41 -0.00 -0.91 -3.45 115.58 111.65 2kgl h ASN 104 Ca 0.38 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.53 2kgl h ASN 104 Cb 0.95 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.21 2kgl h ASN 104 CO -0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 177.43 177.17 2kgl n ALA 105 N -2.19 -0.11 -2.26 1.57 0.00 0.86 -3.64 120.51 114.72 2kgl n ALA 105 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.53 2kgl n ALA 105 Cb 0.21 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 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 -0.70 -0.03 -4.29 0.00 3.02 -1.26 -4.77 115.26 107.22 2kgl n ASN 106 Ca -0.08 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.14 2kgl n ASN 106 Cb 0.45 0.01 0.14 0.00 -0.61 0.00 0.00 39.78 39.78 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kgl n TYR 107 N 0.19 -1.56 -3.87 3.10 0.18 -1.26 -3.38 117.16 110.56 2kgl n TYR 107 Ca -0.11 0.19 -0.26 0.00 1.88 0.00 0.00 57.90 59.60 2kgl n TYR 107 Cb 0.91 -1.61 -0.17 0.00 -0.38 0.00 0.00 39.34 38.09 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2kgl s ASP 108 N -1.81 2.04 -0.11 9.48 -1.08 -1.13 -4.75 116.67 119.30 2kgl s ASP 108 Ca 0.55 -0.25 -0.05 0.00 -0.52 0.00 0.00 52.55 52.28 2kgl s ASP 108 Cb -0.13 -0.75 0.05 0.00 -1.46 0.00 0.00 42.92 40.63 2kgl s ASP 108 CO 0.67 -0.14 0.24 0.68 0.52 0.00 0.00 175.17 177.14 2kgl s VAL 109 N 1.77 -0.21 -0.04 1.11 -7.23 -1.26 -2.80 120.40 111.75 2kgl s VAL 109 Ca 0.05 0.22 0.01 0.00 -1.81 0.00 0.00 61.98 60.45 2kgl s VAL 109 Cb -0.12 -0.38 0.02 0.00 0.56 0.00 0.00 36.38 36.46 2kgl s VAL 109 CO -0.08 0.09 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.21 2kgl s GLN 110 N 1.81 0.57 -0.18 4.82 0.74 -0.91 -4.78 119.66 121.73 2kgl s GLN 110 Ca -0.04 -0.02 0.01 0.00 0.05 0.00 0.00 55.36 55.36 2kgl s GLN 110 Cb -0.11 -0.67 0.02 0.00 1.10 0.00 0.00 33.01 33.35 2kgl s GLN 110 CO -0.08 -0.11 -0.20 -0.98 -0.55 0.00 0.00 175.29 173.37 2kgl s ARG 111 N 0.98 2.99 -0.05 1.67 1.70 -1.03 -2.73 118.95 122.48 2kgl s ARG 111 Ca -0.10 -0.83 0.02 0.00 -0.47 0.00 0.00 55.73 54.35 2kgl s ARG 111 Cb -0.14 -2.58 0.01 0.00 -0.57 0.00 0.00 34.95 31.67 2kgl s ARG 111 CO -0.01 -0.21 -0.11 0.12 -1.08 0.00 0.00 175.30 174.01 2kgl s PHE 112 N 1.29 1.28 -0.11 5.89 5.36 -1.17 -4.06 117.98 126.46 2kgl s PHE 112 Ca 0.05 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.59 2kgl s PHE 112 Cb -0.13 -0.94 0.02 0.00 -0.34 0.00 0.00 43.02 41.63 2kgl s PHE 112 CO -0.13 -0.22 -0.07 0.96 -1.46 0.00 0.00 175.22 174.30 2kgl s ILE 113 N 0.54 1.00 0.01 3.12 -5.25 -1.26 -3.14 121.20 116.22 2kgl s ILE 113 Ca -0.11 -0.27 -0.01 0.00 -0.99 0.00 0.00 60.65 59.27 2kgl s ILE 113 Cb -0.14 -1.02 -0.01 0.00 2.95 0.00 0.00 42.46 44.24 2kgl s ILE 113 CO 0.02 0.36 0.00 -0.69 -1.79 0.00 0.00 174.94 172.85 2kgl s VAL 114 N 1.72 0.06 0.57 8.37 1.01 -0.87 -5.02 120.40 126.23 2kgl s VAL 114 Ca 0.05 -0.47 0.30 0.00 0.00 0.00 0.00 61.98 61.86 2kgl s VAL 114 Cb -0.13 -0.16 0.43 0.00 0.00 0.00 0.00 36.38 36.52 2kgl s VAL 114 CO -0.08 -0.26 1.88 1.23 0.00 0.00 0.00 175.10 177.87 2kgl h GLY 115 N 5.32 0.00 1.01 4.51 0.00 -2.05 0.63 103.07 112.49 2kgl h GLY 115 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 2kgl h GLY 115 CO 0.45 0.00 -0.35 1.76 0.00 0.00 0.00 176.54 178.40 2kgl h SER 116 N 0.00 0.80 -5.96 0.19 0.02 -2.04 -3.49 113.55 103.08 2kgl h SER 116 Ca 0.31 -0.49 0.40 0.00 -0.84 0.00 0.00 61.79 61.17 2kgl h SER 116 Cb 1.45 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 63.68 2kgl h SER 116 CO -0.00 1.13 1.00 1.51 -1.14 0.00 0.00 176.83 179.33 2kgl s ASP 117 N -6.64 0.00 0.03 3.07 -4.77 0.21 -4.67 116.67 103.90 2kgl s ASP 117 Ca -0.12 -0.04 0.05 0.00 -3.30 0.00 0.00 52.55 49.13 2kgl s ASP 117 Cb 0.09 0.03 -0.02 0.00 -1.09 0.00 0.00 42.92 41.93 2kgl s ASP 117 CO 0.84 -0.06 -0.14 -0.13 0.70 0.00 0.00 175.17 176.38 2kgl s ARG 118 N -2.01 0.97 -0.10 2.11 3.00 -1.19 -2.05 118.95 119.68 2kgl s ARG 118 Ca 0.30 -0.70 -0.07 0.00 0.00 0.00 0.00 55.73 55.27 2kgl s ARG 118 Cb 0.01 -0.97 0.04 0.00 0.00 0.00 0.00 34.95 34.02 2kgl s ARG 118 CO -0.03 0.25 0.25 0.00 0.00 0.00 0.00 175.30 175.77 2kgl s ALA 119 N -0.74 -0.60 0.01 2.13 0.00 -1.19 -0.10 121.76 121.27 2kgl s ALA 119 Ca 0.02 0.90 0.03 0.00 0.00 0.00 0.00 51.96 52.92 2kgl s ALA 119 Cb -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2kgl s ALA 119 CO 0.01 -0.17 -0.10 -1.50 0.00 0.00 0.00 175.76 174.00 2kgl s ILE 120 N 0.80 0.77 -0.06 0.00 2.07 -0.99 -3.06 121.20 120.73 2kgl s ILE 120 Ca -0.05 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.64 2kgl s ILE 120 Cb -0.07 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.87 2kgl s ILE 120 CO -0.05 0.11 -0.10 0.12 -1.91 0.00 0.00 174.94 173.10 2kgl s PHE 121 N -0.44 1.32 -0.17 3.50 2.19 -1.10 -3.11 117.98 120.17 2kgl s PHE 121 Ca 0.02 -0.49 -0.06 0.00 0.33 0.00 0.00 56.93 56.73 2kgl s PHE 121 Cb -0.05 -1.00 0.08 0.00 -1.31 0.00 0.00 43.02 40.74 2kgl s PHE 121 CO 0.00 -0.27 0.36 0.00 1.83 0.00 0.00 175.22 177.13 2kgl s MET 122 N 0.77 0.26 -0.01 10.12 0.23 -1.05 -2.15 119.30 127.47 2kgl s MET 122 Ca -0.13 0.91 -0.16 0.00 -1.03 0.00 0.00 55.69 55.28 2kgl s MET 122 Cb -0.15 0.16 0.03 0.00 -1.53 0.00 0.00 34.83 33.33 2kgl s MET 122 CO 0.02 -0.28 0.34 -1.17 -2.03 0.00 0.00 175.02 171.90 2kgl s LEU 123 N 2.54 0.73 0.45 0.18 2.96 -1.12 -1.50 118.68 122.91 2kgl s LEU 123 Ca -0.00 0.12 0.14 0.00 -0.22 0.00 0.00 54.13 54.18 2kgl s LEU 123 Cb -0.12 1.38 1.06 0.00 0.50 0.00 0.00 46.19 49.01 2kgl s LEU 123 CO -0.11 -0.47 2.00 0.03 -1.32 0.00 0.00 176.35 176.48 2kgl h ARG 124 N 3.76 0.35 -7.31 1.98 -0.00 -1.89 -3.13 114.38 108.14 2kgl h ARG 124 Ca -0.29 -0.02 -0.45 0.00 -0.50 0.00 0.00 59.98 58.72 2kgl h ARG 124 Cb 1.17 -0.08 0.17 0.00 0.00 0.00 0.00 29.97 31.24 2kgl h ARG 124 CO 0.40 0.23 0.14 -0.51 0.00 0.00 0.00 179.97 180.24 2kgl s ASP 125 N -6.35 2.13 0.05 7.04 1.01 -1.26 -4.44 116.67 114.84 2kgl s ASP 125 Ca -0.07 1.24 0.00 0.00 0.71 0.00 0.00 52.55 54.43 2kgl s ASP 125 Cb 0.19 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 42.19 2kgl s ASP 125 CO 0.74 -3.45 0.00 0.61 0.21 0.00 0.00 175.17 173.28 2kgl n GLY 126 N -0.63 -0.00 0.26 0.21 0.00 -1.22 -2.84 105.19 100.98 2kgl n GLY 126 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 1.00 0.32 1.61 0.87 -1.94 -2.94 113.55 112.48 2kgl h SER 127 Ca 0.00 -0.48 -0.07 0.00 -1.23 0.00 0.00 61.79 60.02 2kgl h SER 127 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.67 2kgl h SER 127 CO 0.00 1.28 -0.32 0.22 -0.53 0.00 0.00 176.83 177.48 2kgl h TYR 128 N 0.75 0.00 -0.42 2.24 5.03 -1.98 -2.76 116.97 119.84 2kgl h TYR 128 Ca 0.05 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.23 2kgl h TYR 128 Cb 1.01 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.28 2kgl h TYR 128 CO 0.07 0.32 -0.27 0.00 -1.32 0.00 0.00 178.16 176.95 2kgl h ALA 129 N 1.68 0.72 -0.52 1.82 0.00 -1.78 -2.66 119.26 118.52 2kgl h ALA 129 Ca -0.00 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2kgl h ALA 129 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2kgl h ALA 129 CO 0.04 0.66 0.33 2.35 0.00 0.00 0.00 179.25 182.64 2kgl h TRP 130 N 0.76 0.62 0.33 0.00 -0.00 -1.32 0.24 115.95 116.59 2kgl h TRP 130 Ca 0.09 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.98 2kgl h TRP 130 Cb 0.83 -0.20 0.00 0.00 -0.00 0.00 0.00 29.16 29.79 2kgl h TRP 130 CO 0.05 0.37 -0.16 0.93 -0.00 0.00 0.00 178.44 179.63 2kgl h GLU 131 N 0.66 -0.43 -0.02 2.65 5.08 -1.48 -2.76 114.58 118.27 2kgl h GLU 131 Ca 0.20 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2kgl h GLU 131 Cb -0.03 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kgl h GLU 131 CO -0.07 -0.22 -0.08 0.82 -1.00 0.00 0.00 179.01 178.47 2kgl h ILE 132 N -0.56 1.07 0.17 3.13 1.08 -1.33 -3.07 117.51 117.99 2kgl h ILE 132 Ca -0.05 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 2kgl h ILE 132 Cb 0.42 1.14 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 2kgl h ILE 132 CO 0.08 0.09 -0.37 0.50 -0.69 0.00 0.00 178.15 177.76 2kgl h LYS 133 N 0.03 -0.57 -0.88 2.37 3.11 -0.21 0.26 116.57 120.68 2kgl h LYS 133 Ca 0.01 0.04 0.18 0.00 -2.81 0.00 0.00 60.65 58.07 2kgl h LYS 133 Cb 0.16 0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 31.45 2kgl h LYS 133 CO 0.01 -0.38 0.58 -0.44 -2.81 0.00 0.00 179.45 176.41 2kgl h ASP 134 N -0.59 0.46 0.42 4.20 3.32 -1.47 0.24 116.42 123.00 2kgl h ASP 134 Ca -0.02 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 2kgl h ASP 134 Cb 0.57 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2kgl h ASP 134 CO -0.16 0.20 -0.49 0.15 -1.72 0.00 0.00 179.24 177.22 2kgl h PHE 135 N 0.47 0.10 0.22 4.55 3.04 -1.23 -2.61 116.94 121.48 2kgl h PHE 135 Ca 0.45 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.36 2kgl h PHE 135 Cb 1.02 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.51 2kgl h PHE 135 CO -0.00 0.56 -0.11 1.25 -2.02 0.00 0.00 178.31 177.99 2kgl h LEU 136 N 0.07 -0.25 -1.99 0.59 5.85 0.30 -3.14 115.31 116.73 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 0.89 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2kgl h LEU 136 CO 0.07 -0.14 0.60 1.62 -0.34 0.00 0.00 178.44 180.25 2kgl h VAL 137 N -0.38 0.58 -0.86 1.05 3.04 -1.58 0.89 116.25 118.99 2kgl h VAL 137 Ca -0.03 -0.00 0.21 0.00 -1.01 0.00 0.00 66.70 65.87 2kgl h VAL 137 Cb 0.23 0.58 -0.05 0.00 -2.01 0.00 0.00 31.29 30.03 2kgl h VAL 137 CO 0.05 0.00 0.58 0.77 -1.01 0.00 0.00 177.57 177.96 2kgl h SER 138 N 0.00 0.26 0.16 3.17 4.64 -1.41 -1.61 113.55 118.77 2kgl h SER 138 Ca 0.40 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 2kgl h SER 138 Cb 1.59 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 2kgl h SER 138 CO -0.01 0.11 -0.08 1.56 -0.87 0.00 0.00 176.83 177.54 2kgl h GLN 139 N 0.26 -0.21 -2.01 4.77 1.08 -0.87 -3.44 115.11 114.69 2kgl h GLN 139 Ca 0.43 0.01 -0.35 0.00 -1.45 0.00 0.00 58.65 57.30 2kgl h GLN 139 Cb 1.28 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 28.70 2kgl h GLN 139 CO -0.11 0.19 -0.41 -3.47 -0.95 0.00 0.00 178.83 174.07 2kgl n ASP 140 N -4.98 -5.10 -2.65 1.46 2.03 -0.61 -4.80 116.55 101.90 2kgl n ASP 140 Ca -0.09 0.11 -0.04 0.00 0.52 0.00 0.00 54.79 55.30 2kgl n ASP 140 Cb 0.25 -4.17 0.00 0.00 -0.72 0.00 0.00 41.12 36.48 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 -2.62 0.32 -3.83 -0.67 0.63 -1.08 -4.87 116.66 104.54 2kgl n ARG 141 Ca -0.20 -0.84 -0.12 0.00 -0.92 0.00 0.00 57.85 55.77 2kgl n ARG 141 Cb 0.63 -0.01 -0.11 0.00 0.45 0.00 0.00 32.46 33.43 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 -0.67 0.10 -0.08 0.00 0.00 -1.26 -0.12 121.76 119.72 2kgl s ALA 143 Ca -0.08 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 2kgl s ALA 143 Cb -0.04 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.81 2kgl s ALA 143 CO 0.01 -0.15 0.35 -1.21 0.00 0.00 0.00 175.76 174.76 2kgl s GLU 144 N 1.21 0.57 -0.15 0.00 2.02 0.95 -4.37 118.70 118.93 2kgl s GLU 144 Ca -0.07 0.17 -0.07 0.00 0.02 0.00 0.00 54.97 55.01 2kgl s GLU 144 Cb -0.13 0.26 0.06 0.00 0.10 0.00 0.00 34.13 34.42 2kgl s GLU 144 CO -0.03 -0.12 0.34 0.54 0.02 0.00 0.00 175.26 176.01 2kgl s VAL 145 N -0.58 -0.14 -0.15 2.63 0.11 -1.26 -1.82 120.40 119.20 2kgl s VAL 145 Ca -0.07 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2kgl s VAL 145 Cb -0.04 -0.53 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2kgl s VAL 145 CO 0.03 0.06 -0.11 0.42 -3.33 0.00 0.00 175.10 172.16 2kgl s THR 146 N 1.59 1.40 -0.17 5.04 -4.23 -0.49 -4.76 115.64 114.02 2kgl s THR 146 Ca -0.08 -0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2kgl s THR 146 Cb -0.10 -1.38 0.08 0.00 1.34 0.00 0.00 72.50 72.44 2kgl s THR 146 CO -0.11 0.37 0.37 -0.22 -0.54 0.00 0.00 174.62 174.49 2kgl s LEU 147 N 1.54 -0.43 0.37 4.79 1.98 -1.08 -3.38 118.68 122.47 2kgl s LEU 147 Ca 0.04 0.86 0.07 0.00 -2.89 0.00 0.00 54.13 52.22 2kgl s LEU 147 Cb -0.13 1.17 -0.02 0.00 0.66 0.00 0.00 46.19 47.87 2kgl s LEU 147 CO -0.10 -0.22 0.38 -1.83 -1.89 0.00 0.00 176.35 172.69 2kgl s GLU 148 N 2.31 2.72 0.00 1.98 1.03 -1.25 -4.45 118.70 121.04 2kgl s GLU 148 Ca -0.03 -1.33 0.00 0.00 0.03 0.00 0.00 54.97 53.64 2kgl s GLU 148 Cb -0.11 -2.53 0.00 0.00 -0.80 0.00 0.00 34.13 30.69 2kgl s GLU 148 CO -0.12 -0.06 0.37 0.41 -1.33 0.00 0.00 175.26 174.54 2kgl n GLY 149 N -1.53 -0.76 2.54 -3.83 0.00 -1.26 -4.88 105.19 95.47 2kgl n GLY 149 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.05 1.09 -1.84 1.61 0.00 -1.26 -5.04 117.38 111.89 2kgl n GLN 150 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 57.00 54.12 2kgl n GLN 150 Cb 0.34 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.44 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 2kgl n MET 151 N -0.01 0.35 -3.98 2.61 1.56 -1.26 -5.14 117.12 111.25 2kgl n MET 151 Ca 0.11 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.32 2kgl n MET 151 Cb 0.77 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 36.11 2kgl n MET 151 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2kgl s TYR 152 N -1.75 3.43 1.14 1.12 1.51 -1.17 -4.36 117.35 117.27 2kgl s TYR 152 Ca 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 57.07 55.89 2kgl s TYR 152 Cb 0.00 -1.58 0.26 0.00 -0.11 0.00 0.00 41.96 40.53 2kgl s TYR 152 CO 0.00 0.46 1.10 -1.25 -1.11 0.00 0.00 175.55 174.76 2kgl s PRO 153 N -3.80 -0.71 0.01 -1.71 0.04 -0.22 -3.69 135.00 124.92 2kgl s PRO 153 Ca 0.34 0.12 0.22 0.00 0.04 0.00 0.00 61.00 61.72 2kgl s PRO 153 Cb -0.09 -1.64 -0.00 0.00 0.04 0.00 0.00 34.50 32.80 2kgl s PRO 153 CO 0.28 -3.41 1.02 0.41 0.04 0.00 0.00 177.00 175.34 2kgl n GLY 154 N -0.99 -1.11 0.06 0.56 0.00 -1.26 -4.31 105.19 98.15 2kgl n GLY 154 Ca 0.10 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 2kgl n GLY 154 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kgl h LYS 155 N 0.00 0.02 0.00 1.61 3.64 -1.94 -3.34 116.57 116.56 2kgl h LYS 155 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kgl h LYS 155 Cb 0.59 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2kgl h LYS 155 CO 0.00 0.01 0.00 0.41 -2.27 0.00 0.00 179.45 177.60 2kgl n GLY 156 N -1.13 0.53 0.04 5.01 0.00 -1.26 -4.87 105.19 103.51 2kgl n GLY 156 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.80 0.00 3.45 -0.02 0.00 -1.26 -5.05 105.19 99.51 2kgl n GLY 157 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 2.60 -1.17 0.28 -0.02 0.00 -1.26 -4.86 105.19 100.75 2kgl n GLY 158 Ca 0.00 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.63 0.34 -6.16 1.61 0.87 -1.93 -3.47 113.55 104.19 2kgl h SER 159 Ca -0.42 0.10 -0.42 0.00 -1.23 0.00 0.00 61.79 59.81 2kgl h SER 159 Cb 1.24 0.06 0.06 0.00 -0.44 0.00 0.00 62.40 63.32 2kgl h SER 159 CO 0.39 0.14 -0.88 0.29 -0.53 0.00 0.00 176.83 176.24 2kgl n LYS 160 N -4.96 -3.02 -0.08 2.24 4.76 -1.26 -4.92 118.16 110.91 2kgl n LYS 160 Ca 0.14 0.54 -0.22 0.00 -2.87 0.00 0.00 58.31 55.90 2kgl n LYS 160 Cb 0.39 -4.73 -0.12 0.00 -1.84 0.00 0.00 35.03 28.74 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2kgl n GLU 161 N -4.17 0.62 -2.90 1.97 4.07 -1.26 -5.03 120.64 113.93 2kgl n GLU 161 Ca -0.21 0.47 -0.08 0.00 -0.06 0.00 0.00 57.16 57.28 2kgl n GLU 161 Cb 0.64 -1.72 0.04 0.00 -0.06 0.00 0.00 31.44 30.34 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kgl n LYS 162 N -4.16 -1.59 -3.67 5.31 0.00 -1.26 -5.05 118.16 107.73 2kgl n LYS 162 Ca -0.34 0.95 -0.11 0.00 0.00 0.00 0.00 58.31 58.82 2kgl n LYS 162 Cb 0.79 -5.11 -0.11 0.00 0.00 0.00 0.00 35.03 30.60 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2kgl s ASN 163 N -3.14 -0.11 0.22 3.14 2.47 -1.26 -5.11 114.94 111.14 2kgl s ASN 163 Ca 0.24 0.80 -0.12 0.00 0.42 0.00 0.00 52.86 54.20 2kgl s ASN 163 Cb -0.03 0.94 -0.07 0.00 -1.45 0.00 0.00 41.25 40.64 2kgl s ASN 163 CO 0.62 -0.22 0.59 -0.54 -3.72 0.00 0.00 177.10 173.83 2kgl s LYS 164 N 2.19 3.90 0.13 0.43 1.02 -1.26 -4.23 119.74 121.92 2kgl s LYS 164 Ca -0.03 0.42 0.04 0.00 0.02 0.00 0.00 55.97 56.42 2kgl s LYS 164 Cb -0.11 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2kgl s LYS 164 CO -0.11 0.34 -0.10 0.99 -0.92 0.00 0.00 175.35 175.55 2kgl s THR 165 N -1.73 1.07 -0.01 2.17 2.01 -1.26 -5.06 115.64 112.84 2kgl s THR 165 Ca 0.46 -1.97 -0.21 0.00 0.31 0.00 0.00 61.69 60.27 2kgl s THR 165 Cb -0.12 -1.74 -0.12 0.00 0.01 0.00 0.00 72.50 70.53 2kgl s THR 165 CO 0.20 -0.73 0.89 0.11 -0.69 0.00 0.00 174.62 174.41 2kgl h LYS 166 N 2.95 -0.73 0.00 4.92 1.79 -2.03 -3.23 116.57 120.23 2kgl h LYS 166 Ca -0.37 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 2kgl h LYS 166 Cb 1.19 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 2kgl h LYS 166 CO 0.62 -0.49 0.00 -1.00 -1.08 0.00 0.00 179.45 177.50 2kgl h PRO 167 N -1.16 0.00 0.02 3.15 0.13 -1.99 -3.26 132.00 128.89 2kgl h PRO 167 Ca -0.08 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2kgl h PRO 167 Cb 0.58 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.66 2kgl h PRO 167 CO 0.13 0.00 -0.39 1.49 -0.23 0.00 0.00 178.00 179.00 2kgl h GLU 168 N 0.00 -0.53 -0.02 0.86 4.22 -1.97 0.24 114.58 117.37 2kgl h GLU 168 Ca 0.00 0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.41 2kgl h GLU 168 Cb 0.41 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2kgl h GLU 168 CO 0.00 -0.36 -0.29 1.57 -2.18 0.00 0.00 179.01 177.76 2kgl h LYS 169 N -0.55 0.04 -0.45 1.92 2.10 -1.68 -2.80 116.57 115.15 2kgl h LYS 169 Ca 0.05 -0.01 -0.07 0.00 -2.00 0.00 0.00 60.65 58.62 2kgl h LYS 169 Cb 0.63 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.94 2kgl h LYS 169 CO -0.29 0.33 0.01 0.00 -2.00 0.00 0.00 179.45 177.50 2kgl h ALA 170 N 1.67 0.61 -0.57 0.07 0.00 -1.34 -2.80 119.26 116.90 2kgl h ALA 170 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2kgl h ALA 170 Cb 0.53 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2kgl h ALA 170 CO 0.04 0.39 0.23 -0.22 0.00 0.00 0.00 179.25 179.69 2kgl h LYS 171 N 0.64 0.85 -0.62 0.00 1.63 -0.33 -1.89 116.57 116.85 2kgl h LYS 171 Ca 0.13 -0.15 0.07 0.00 -0.85 0.00 0.00 60.65 59.85 2kgl h LYS 171 Cb 0.48 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.91 2kgl h LYS 171 CO 0.02 0.73 0.31 -0.22 -3.45 0.00 0.00 179.45 176.84 2kgl h LYS 172 N 0.78 0.55 0.00 1.90 3.64 -1.40 -0.54 116.57 121.49 2kgl h LYS 172 Ca 0.19 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2kgl h LYS 172 Cb 0.20 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2kgl h LYS 172 CO -0.02 0.36 -0.37 0.87 -2.27 0.00 0.00 179.45 178.02 2kgl h LYS 173 N 0.56 0.00 0.55 1.90 1.79 -1.26 -3.21 116.57 116.90 2kgl h LYS 173 Ca 0.29 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.73 2kgl h LYS 173 Cb 0.25 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2kgl h LYS 173 CO -0.22 0.37 -0.27 1.49 -1.08 0.00 0.00 179.45 179.75 2kgl h GLU 174 N 0.00 -0.72 0.00 3.15 4.57 -0.30 -3.43 114.58 117.85 2kgl h GLU 174 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2kgl h GLU 174 Cb 0.72 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 2kgl h GLU 174 CO 0.05 -0.41 0.00 0.41 -1.18 0.00 0.00 179.01 177.88 2kgl n GLY 175 N -0.64 4.28 0.31 1.92 0.00 -0.73 -4.19 105.19 106.15 2kgl n GLY 175 Ca -0.11 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.63 -0.07 1.61 5.19 -1.84 -3.36 116.42 117.32 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 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2kgl h ASP 176 CO 0.00 -0.25 -0.07 1.55 -3.12 0.00 0.00 179.24 177.35 2kgl h PRO 177 N -1.15 0.16 -1.79 3.56 0.13 -1.96 -3.49 132.00 127.48 2kgl h PRO 177 Ca -0.08 -0.09 0.20 0.00 -0.87 0.00 0.00 66.00 65.17 2kgl h PRO 177 Cb 0.57 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.53 2kgl h PRO 177 CO 0.12 0.61 0.69 0.15 -0.23 0.00 0.00 178.00 179.34 2kgl s LYS 178 N -4.27 0.51 0.12 0.86 1.02 -1.26 -5.10 119.74 111.62 2kgl s LYS 178 Ca -0.15 -0.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 2kgl s LYS 178 Cb 0.03 0.23 0.03 0.00 -0.52 0.00 0.00 37.83 37.60 2kgl s LYS 178 CO 0.71 -0.23 0.11 -0.35 -0.92 0.00 0.00 175.35 174.67 2kgl n PRO 179 N -0.17 -1.23 -2.70 -1.68 -0.04 -1.26 -4.36 135.00 123.56 2kgl n PRO 179 Ca -0.03 -0.17 -0.07 0.00 -0.04 0.00 0.00 63.50 63.19 2kgl n PRO 179 Cb 0.60 -0.16 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 2kgl n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgl n ARG 180 N -1.83 -2.14 0.01 0.54 1.74 -1.26 -4.93 116.66 108.79 2kgl n ARG 180 Ca 0.01 1.96 0.00 0.00 -0.77 0.00 0.00 57.85 59.05 2kgl n ARG 180 Cb 0.06 -5.23 0.00 0.00 -1.02 0.00 0.00 32.46 26.27 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl n ALA 181 N -0.31 0.00 -0.36 7.54 0.00 -1.26 -4.97 120.51 121.15 2kgl n ALA 181 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.66 2kgl n ALA 181 Cb 0.41 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.18 0.00 4.64 -1.83 -1.72 113.55 115.28 2kgl h SER 182 Ca 0.00 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2kgl h SER 182 Cb 0.00 -0.07 -0.06 0.00 -0.31 0.00 0.00 62.40 61.95 2kgl h SER 182 CO 0.00 0.34 -0.26 0.50 -0.87 0.00 0.00 176.83 176.54 2kgl h LYS 183 N 0.84 -0.29 -0.09 4.77 1.63 -1.93 0.11 116.57 121.61 2kgl h LYS 183 Ca 0.55 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.42 2kgl h LYS 183 Cb 0.77 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.41 2kgl h LYS 183 CO -0.35 -0.19 -0.31 0.93 -3.45 0.00 0.00 179.45 176.08 2kgl h GLU 184 N -0.30 -0.39 -0.32 1.90 5.08 -1.71 -0.95 114.58 117.89 2kgl h GLU 184 Ca 0.12 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2kgl h GLU 184 Cb 0.48 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2kgl h GLU 184 CO -0.36 -0.26 -0.03 -0.44 -1.00 0.00 0.00 179.01 176.93 2kgl h ASP 185 N -0.41 -0.18 -0.94 1.42 3.32 -1.26 -1.48 116.42 116.88 2kgl h ASP 185 Ca 0.08 0.08 0.15 0.00 0.02 0.00 0.00 57.03 57.36 2kgl h ASP 185 Cb 0.54 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 40.15 2kgl h ASP 185 CO -0.32 -0.06 0.55 -1.13 -1.72 0.00 0.00 179.24 176.57 2kgl h ASN 186 N 0.06 0.75 0.25 6.45 -0.73 -0.20 0.24 115.58 122.40 2kgl h ASN 186 Ca 0.15 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.37 2kgl h ASN 186 Cb 0.22 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.74 2kgl h ASN 186 CO -0.28 0.34 -0.15 0.03 -0.37 0.00 0.00 177.43 177.00 2kgl h ARG 187 N 0.80 0.00 0.35 6.67 3.08 -0.14 -3.19 114.38 121.95 2kgl h ARG 187 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.54 2kgl h ARG 187 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2kgl h ARG 187 CO -0.33 0.15 -0.17 0.00 -1.07 0.00 0.00 179.97 178.55 2kgl h ALA 188 N 1.85 -1.06 -0.68 0.04 0.00 -0.08 -3.47 119.26 115.87 2kgl h ALA 188 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2kgl h ALA 188 Cb 0.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kgl h ALA 188 CO 0.02 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.65 2kgl n GLY 189 N -1.03 -1.48 0.02 0.00 0.00 -1.18 -2.27 105.19 99.25 2kgl n GLY 189 Ca -0.06 -0.92 -0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.00 -2.53 1.61 3.41 -1.26 -0.96 113.62 115.89 2kgl n SER 190 Ca 0.00 -1.01 -0.01 0.00 -0.26 0.00 0.00 58.87 57.59 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 -0.01 -2.88 -3.14 4.33 0.63 -1.26 -4.05 116.66 110.29 2kgl n ARG 191 Ca -0.00 2.39 -0.23 0.00 -0.92 0.00 0.00 57.85 59.09 2kgl n ARG 191 Cb 0.00 -4.73 0.03 0.00 0.45 0.00 0.00 32.46 28.22 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kgl n ARG 192 N 0.51 -4.85 0.00 -0.14 1.74 -1.26 -4.78 116.66 107.89 2kgl n ARG 192 Ca 0.01 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 2kgl n ARG 192 Cb 0.03 -5.67 0.00 0.00 -1.02 0.00 0.00 32.46 25.80 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kgl n GLU 193 N -4.06 0.00 -2.81 5.56 1.02 -1.26 -5.12 120.64 113.97 2kgl n GLU 193 Ca -0.09 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2kgl n GLU 193 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kgl n ASP 194 N -2.48 -7.78 0.00 1.62 8.00 -0.14 -4.96 116.55 110.82 2kgl n ASP 194 Ca 0.00 1.23 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2kgl n ASP 194 Cb 0.00 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.45 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70