#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 7.27 0.14 0.00 1.47 -1.26 -4.74 116.67 119.55 2kgl s ASP 2 Ca 0.00 1.62 -0.02 0.00 1.18 0.00 0.00 52.55 55.33 2kgl s ASP 2 Cb 0.00 -2.49 -0.05 0.00 -0.34 0.00 0.00 42.92 40.04 2kgl s ASP 2 CO 0.00 0.08 0.34 0.42 0.68 0.00 0.00 175.17 176.69 2kgl s THR 3 N -1.40 5.23 0.16 2.11 -4.23 -1.26 -5.00 115.64 111.24 2kgl s THR 3 Ca 0.42 -0.19 0.31 0.00 -1.18 0.00 0.00 61.69 61.05 2kgl s THR 3 Cb -0.20 -3.66 0.34 0.00 1.34 0.00 0.00 72.50 70.32 2kgl s THR 3 CO 0.24 -0.01 1.96 1.55 -0.54 0.00 0.00 174.62 177.82 2kgl h PRO 4 N 2.61 0.00 -3.41 3.99 0.13 -1.97 -3.47 132.00 129.88 2kgl h PRO 4 Ca -0.46 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 2kgl h PRO 4 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2kgl h PRO 4 CO 0.72 0.08 -0.44 0.41 -0.23 0.00 0.00 178.00 178.53 2kgl n GLY 5 N -0.03 -0.50 2.00 1.56 0.00 -1.26 -4.70 105.19 102.26 2kgl n GLY 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kgl n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgl n GLU 6 N -2.94 0.00 -2.08 1.61 -0.58 -1.26 -4.92 120.64 110.47 2kgl n GLU 6 Ca -0.20 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.16 2kgl n GLU 6 Cb 0.65 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.52 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kgl n ALA 7 N -2.51 6.51 -2.52 0.62 0.00 -1.26 -4.94 120.51 116.41 2kgl n ALA 7 Ca 0.00 -4.05 -0.24 0.00 0.00 0.00 0.00 53.44 49.15 2kgl n ALA 7 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 16.92 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 -2.71 1.65 0.96 0.00 -1.32 -1.26 -5.02 115.64 107.93 2kgl s THR 8 Ca 0.50 -1.36 -0.12 0.00 -1.21 0.00 0.00 61.69 59.50 2kgl s THR 8 Cb 0.25 -1.47 0.17 0.00 -1.51 0.00 0.00 72.50 69.93 2kgl s THR 8 CO -0.17 0.06 1.09 -2.16 -2.21 0.00 0.00 174.62 171.23 2kgl s PRO 9 N -1.54 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.97 2kgl s PRO 9 Ca 0.06 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 2kgl s PRO 9 Cb -0.09 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2kgl s PRO 9 CO 0.03 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.36 2kgl s PRO 10 N -4.95 0.74 -0.69 0.56 0.04 -1.26 -4.91 135.00 124.53 2kgl s PRO 10 Ca 0.65 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 62.06 2kgl s PRO 10 Cb -0.18 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2kgl s PRO 10 CO 0.57 -2.55 1.88 -1.25 0.04 0.00 0.00 177.00 175.70 2kgl s PRO 11 N -4.95 2.61 0.10 0.56 0.04 -1.26 -4.83 135.00 127.26 2kgl s PRO 11 Ca 0.65 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 2kgl s PRO 11 Cb -0.18 -4.57 -0.08 0.00 0.04 0.00 0.00 34.50 29.71 2kgl s PRO 11 CO 0.57 -2.91 1.44 0.00 0.04 0.00 0.00 177.00 176.14 2kgl h ARG 12 N 13.99 0.68 0.00 4.56 3.08 -2.01 -3.41 114.38 131.28 2kgl h ARG 12 Ca -0.16 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.50 2kgl h ARG 12 Cb 1.12 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.11 2kgl h ARG 12 CO 1.22 0.95 -0.18 1.63 -1.07 0.00 0.00 179.97 182.51 2kgl n LYS 13 N -4.31 0.00 -0.03 0.04 5.02 -1.26 -4.90 118.16 112.72 2kgl n LYS 13 Ca -0.04 -0.48 -0.03 0.00 -2.02 0.00 0.00 58.31 55.74 2kgl n LYS 13 Cb 0.44 0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 35.53 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kgl h LYS 14 N 0.05 -0.05 -0.73 1.97 1.57 -1.79 -3.35 116.57 114.24 2kgl h LYS 14 Ca -0.18 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2kgl h LYS 14 Cb 1.20 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 2kgl h LYS 14 CO -0.08 0.13 0.10 1.17 -0.57 0.00 0.00 179.45 180.19 2kgl n LYS 15 N -4.79 3.69 -0.08 3.15 0.00 -1.26 -0.31 118.16 118.57 2kgl n LYS 15 Ca -0.02 -2.47 -0.13 0.00 0.00 0.00 0.00 58.31 55.68 2kgl n LYS 15 Cb 0.09 -2.08 -0.09 0.00 0.00 0.00 0.00 35.03 32.95 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2kgl h ASP 16 N 2.70 0.00 -4.90 3.14 5.19 -1.86 -3.49 116.42 117.21 2kgl h ASP 16 Ca 0.10 -0.59 0.01 0.00 -0.62 0.00 0.00 57.03 55.92 2kgl h ASP 16 Cb 1.83 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 41.22 2kgl h ASP 16 CO 0.49 1.05 -1.54 -0.38 -3.12 0.00 0.00 179.24 175.73 2kgl n ILE 17 N -4.58-12.68 -1.67 0.35 -0.00 -1.26 -4.53 119.36 94.98 2kgl n ILE 17 Ca -0.15 2.74 -0.48 0.00 -0.00 0.00 0.00 62.75 64.86 2kgl n ILE 17 Cb 0.45 -6.45 -0.05 0.00 -0.00 0.00 0.00 39.64 33.59 2kgl n ILE 17 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 2kgl n ARG 18 N 1.66 2.19 -1.28 0.38 0.63 -1.26 -0.03 116.66 118.94 2kgl n ARG 18 Ca -0.40 0.79 -0.10 0.00 -0.92 0.00 0.00 57.85 57.23 2kgl n ARG 18 Cb 0.62 -2.68 -0.04 0.00 0.45 0.00 0.00 32.46 30.80 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kgl n ASP 19 N 6.99 -5.32 -2.92 6.15 -0.08 -1.26 -0.89 116.55 119.22 2kgl n ASP 19 Ca 0.23 0.24 -0.17 0.00 -1.51 0.00 0.00 54.79 53.59 2kgl n ASP 19 Cb 0.31 -3.68 -0.00 0.00 2.34 0.00 0.00 41.12 40.08 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 -2.34 -1.66 0.00 -0.67 4.02 0.95 -4.17 117.16 113.30 2kgl n TYR 20 Ca -0.10 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 2kgl n TYR 20 Cb 0.51 -2.67 0.00 0.00 -0.02 0.00 0.00 39.34 37.16 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kgl n ASN 21 N -2.02 0.00 0.32 7.72 5.15 -1.03 -4.94 115.26 120.46 2kgl n ASN 21 Ca -0.06 0.00 0.21 0.00 -0.60 0.00 0.00 54.58 54.12 2kgl n ASN 21 Cb 0.56 0.04 1.12 0.00 -0.53 0.00 0.00 39.78 40.97 2kgl n ASN 21 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2kgl h ASP 22 N 0.00 0.00 -0.82 1.20 3.32 -1.18 -2.61 116.42 116.33 2kgl h ASP 22 Ca 0.00 0.00 0.19 0.00 0.02 0.00 0.00 57.03 57.24 2kgl h ASP 22 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 2kgl h ASP 22 CO 0.00 0.00 0.27 0.00 -1.72 0.00 0.00 179.24 177.79 2kgl h ALA 23 N 1.94 1.18 -0.83 3.45 0.00 -1.72 0.12 119.26 123.40 2kgl h ALA 23 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 54.91 55.24 2kgl h ALA 23 Cb 0.06 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 2kgl h ALA 23 CO 0.00 -0.35 0.39 0.38 0.00 0.00 0.00 179.25 179.67 2kgl h ASP 24 N 0.32 0.43 -0.90 0.00 2.03 -1.80 0.12 116.42 116.61 2kgl h ASP 24 Ca 0.49 0.11 0.05 0.00 -0.73 0.00 0.00 57.03 56.94 2kgl h ASP 24 Cb 0.89 0.05 -0.06 0.00 -0.83 0.00 0.00 39.33 39.38 2kgl h ASP 24 CO -0.54 0.16 0.58 -0.03 -1.03 0.00 0.00 179.24 178.38 2kgl h MET 25 N 0.54 1.06 -0.97 4.15 4.05 -0.96 -1.52 114.93 121.28 2kgl h MET 25 Ca 0.46 -0.06 0.24 0.00 -0.28 0.00 0.00 59.70 60.06 2kgl h MET 25 Cb 0.70 -0.24 -0.07 0.00 -0.80 0.00 0.00 31.60 31.19 2kgl h MET 25 CO -0.40 0.70 0.65 0.00 0.23 0.00 0.00 176.91 178.09 2kgl h ALA 26 N 1.39 2.37 -0.72 0.39 0.00 -0.82 0.23 119.26 122.10 2kgl h ALA 26 Ca 0.38 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.38 2kgl h ALA 26 Cb 0.08 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2kgl h ALA 26 CO -0.14 -0.69 0.47 -0.09 0.00 0.00 0.00 179.25 178.80 2kgl h ARG 27 N 0.32 0.70 -0.85 0.00 2.43 -1.25 -1.88 114.38 113.86 2kgl h ARG 27 Ca 0.51 -0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.81 2kgl h ARG 27 Cb 1.43 -0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 30.71 2kgl h ARG 27 CO -0.18 0.46 0.39 -0.07 -1.51 0.00 0.00 179.97 179.06 2kgl h LEU 28 N 0.72 0.39 -1.52 3.80 3.38 -0.65 0.24 115.31 121.67 2kgl h LEU 28 Ca 0.32 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.57 2kgl h LEU 28 Cb 0.31 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2kgl h LEU 28 CO -0.11 0.10 0.54 0.25 0.09 0.00 0.00 178.44 179.31 2kgl h LEU 29 N 0.49 0.43 -1.31 1.67 5.85 -1.45 0.24 115.31 121.23 2kgl h LEU 29 Ca 0.49 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 59.17 2kgl h LEU 29 Cb 0.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2kgl h LEU 29 CO -0.44 0.21 -0.34 -0.08 -0.34 0.00 0.00 178.44 177.45 2kgl h GLU 30 N 0.45 0.00 -0.82 1.25 4.57 -0.62 -3.01 114.58 116.40 2kgl h GLU 30 Ca 0.40 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.76 2kgl h GLU 30 Cb 0.90 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.38 2kgl h GLU 30 CO -0.14 0.34 0.33 0.37 -1.18 0.00 0.00 179.01 178.73 2kgl h GLN 31 N 0.00 0.40 -0.90 1.92 4.15 -0.39 0.12 115.11 120.42 2kgl h GLN 31 Ca -0.00 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.44 2kgl h GLN 31 Cb 0.64 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 2kgl h GLN 31 CO 0.04 0.27 0.58 -1.49 -1.93 0.00 0.00 178.83 176.30 2kgl h TRP 32 N 0.42 1.07 0.00 3.99 6.55 -1.62 -0.28 115.95 126.07 2kgl h TRP 32 Ca 0.48 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 60.32 2kgl h TRP 32 Cb 0.82 -0.35 -0.00 0.00 -0.86 0.00 0.00 29.16 28.76 2kgl h TRP 32 CO -0.17 0.57 -0.11 0.93 -1.05 0.00 0.00 178.44 178.61 2kgl h GLU 33 N 1.07 0.00 -0.07 0.49 3.07 -0.94 -2.78 114.58 115.43 2kgl h GLU 33 Ca 0.38 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 2kgl h GLU 33 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2kgl h GLU 33 CO -0.15 0.11 -0.48 -0.22 -1.40 0.00 0.00 179.01 176.87 2kgl h LYS 34 N 0.00 0.17 -0.64 2.33 3.64 -0.01 0.11 116.57 122.16 2kgl h LYS 34 Ca -0.00 -0.09 0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2kgl h LYS 34 Cb 0.60 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.34 2kgl h LYS 34 CO 0.01 0.62 0.17 0.22 -2.27 0.00 0.00 179.45 178.20 2kgl h ASP 35 N 0.14 0.07 0.10 4.20 1.82 -1.29 0.37 116.42 121.83 2kgl h ASP 35 Ca 0.01 0.11 -0.35 0.00 -0.39 0.00 0.00 57.03 56.40 2kgl h ASP 35 Cb 0.90 0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 2kgl h ASP 35 CO 0.07 0.03 -1.96 0.47 -1.61 0.00 0.00 179.24 176.25 2kgl n ASP 36 N -5.10 2.08 0.00 2.28 9.92 -1.18 -4.61 116.55 119.95 2kgl n ASP 36 Ca 0.10 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 2kgl n ASP 36 Cb 0.34 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2kgl n ASP 37 N -3.60 0.00 -2.37 -2.24 2.03 0.36 -5.02 116.55 105.71 2kgl n ASP 37 Ca -0.34 0.81 -0.00 0.00 0.52 0.00 0.00 54.79 55.78 2kgl n ASP 37 Cb 0.99 -0.44 -0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2kgl n ILE 38 N -1.83 -9.32 -3.00 5.18 5.41 0.13 -5.02 119.36 110.91 2kgl n ILE 38 Ca 0.00 1.38 -0.15 0.00 1.00 0.00 0.00 62.75 64.98 2kgl n ILE 38 Cb 0.00 -6.10 0.01 0.00 -0.71 0.00 0.00 39.64 32.84 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 0.55 0.91 -2.78 0.38 4.07 -1.26 -5.12 120.64 117.40 2kgl n GLU 39 Ca -0.02 -2.72 -0.22 0.00 -0.06 0.00 0.00 57.16 54.14 2kgl n GLU 39 Cb 0.03 -1.39 0.10 0.00 -0.06 0.00 0.00 31.44 30.12 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2kgl s GLU 40 N -1.03 1.78 -0.00 5.31 -1.05 -1.26 -4.68 118.70 117.77 2kgl s GLU 40 Ca 0.33 -1.43 0.04 0.00 -0.15 0.00 0.00 54.97 53.76 2kgl s GLU 40 Cb 0.28 -2.44 -0.04 0.00 -0.44 0.00 0.00 34.13 31.49 2kgl s GLU 40 CO -0.10 -1.34 0.16 0.41 0.95 0.00 0.00 175.26 175.34 2kgl n GLY 41 N -2.67 0.60 3.19 -3.83 0.00 -1.26 -4.78 105.19 96.45 2kgl n GLY 41 Ca 0.17 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.12 -6.79 -4.90 1.61 2.03 -1.26 -4.98 116.55 101.15 2kgl n ASP 42 Ca 0.01 0.09 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 2kgl n ASP 42 Cb 0.06 -3.72 -0.04 0.00 -0.72 0.00 0.00 41.12 36.70 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 -2.92 4.08 0.19 -2.67 2.01 -1.26 -5.01 118.68 113.10 2kgl s LEU 43 Ca 0.25 0.74 -0.04 0.00 0.01 0.00 0.00 54.13 55.09 2kgl s LEU 43 Cb -0.05 -3.55 0.13 0.00 0.01 0.00 0.00 46.19 42.73 2kgl s LEU 43 CO 0.82 -0.17 1.55 1.55 1.01 0.00 0.00 176.35 181.11 2kgl h PRO 44 N 1.85 0.68 -6.83 1.29 0.13 -1.93 -3.46 132.00 123.72 2kgl h PRO 44 Ca -0.47 -0.36 -0.53 0.00 -0.87 0.00 0.00 66.00 63.77 2kgl h PRO 44 Cb 1.19 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.00 2kgl h PRO 44 CO 0.67 0.97 -0.77 -0.85 -0.23 0.00 0.00 178.00 177.79 2kgl n GLU 45 N -4.03 -1.05 -0.03 0.86 0.00 -1.26 -4.72 120.64 110.40 2kgl n GLU 45 Ca -0.02 0.12 0.23 0.00 0.00 0.00 0.00 57.16 57.49 2kgl n GLU 45 Cb 0.53 -4.64 0.72 0.00 0.00 0.00 0.00 31.44 28.06 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 2kgl h HIS 46 N -0.73 0.00 0.00 -1.84 2.07 -1.94 -3.42 115.15 109.30 2kgl h HIS 46 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 2kgl h HIS 46 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 2kgl h HIS 46 CO 0.73 0.00 0.00 0.36 -3.07 0.00 0.00 177.93 175.95 2kgl n LYS 47 N -4.06 0.00 -3.25 5.12 2.85 -1.26 -5.07 118.16 112.48 2kgl n LYS 47 Ca 0.12 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.22 2kgl n LYS 47 Cb 0.75 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 35.14 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 0.00 -1.83 -2.24 -1.58 3.00 -1.26 -4.52 116.66 108.23 2kgl n ARG 48 Ca 0.00 1.52 -0.41 0.00 -0.00 0.00 0.00 57.85 58.96 2kgl n ARG 48 Cb 0.00 -4.18 -0.03 0.00 0.00 0.00 0.00 32.46 28.25 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 -3.16 4.43 0.03 -0.14 0.04 -1.26 -4.88 135.00 130.06 2kgl s PRO 49 Ca 0.16 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 2kgl s PRO 49 Cb -0.03 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2kgl s PRO 49 CO 0.82 -0.15 -0.03 -1.54 0.04 0.00 0.00 177.00 176.13 2kgl s SER 50 N -0.08 0.37 0.15 6.66 1.04 -1.26 -5.15 113.70 115.44 2kgl s SER 50 Ca 0.52 -0.69 0.04 0.00 0.48 0.00 0.00 55.95 56.30 2kgl s SER 50 Cb -0.36 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 2kgl s SER 50 CO 0.42 -0.41 -0.09 0.00 0.98 0.00 0.00 173.24 174.15 2kgl s ALA 51 N -2.40 1.45 -1.01 5.32 0.00 -1.26 -4.71 121.76 119.15 2kgl s ALA 51 Ca -0.07 -1.51 -0.23 0.00 0.00 0.00 0.00 51.96 50.15 2kgl s ALA 51 Cb -0.03 0.12 -0.12 0.00 0.00 0.00 0.00 23.12 23.09 2kgl s ALA 51 CO -0.04 -0.13 1.92 -0.35 0.00 0.00 0.00 175.76 177.16 2kgl n PRO 52 N -0.21 1.52 -1.67 0.00 -0.04 -1.26 -4.70 135.00 128.65 2kgl n PRO 52 Ca -0.10 -2.22 -0.32 0.00 -0.04 0.00 0.00 63.50 60.83 2kgl n PRO 52 Cb 0.61 -3.42 0.05 0.00 -0.04 0.00 0.00 33.50 30.70 2kgl n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2kgl n ILE 53 N 7.16 3.22 -1.88 0.52 -5.35 -1.26 -5.01 119.36 116.76 2kgl n ILE 53 Ca 0.47 -3.58 -0.29 0.00 -0.27 0.00 0.00 62.75 59.07 2kgl n ILE 53 Cb 0.44 -1.17 0.20 0.00 -1.74 0.00 0.00 39.64 37.38 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kgl n ASP 54 N -0.79 0.03 -0.10 7.28 2.03 -1.26 -5.02 116.55 118.72 2kgl n ASP 54 Ca 0.55 -1.46 -0.15 0.00 0.52 0.00 0.00 54.79 54.25 2kgl n ASP 54 Cb 0.71 -1.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.06 2kgl n ASP 54 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2kgl n PHE 55 N -3.83 0.00 -2.90 -0.67 3.72 -1.26 -5.08 117.46 107.43 2kgl n PHE 55 Ca 0.16 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.55 2kgl n PHE 55 Cb 0.57 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kgl n SER 56 N -4.33 -7.50 0.00 4.37 2.88 -1.26 -5.00 113.62 102.78 2kgl n SER 56 Ca -0.25 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 2kgl n SER 56 Cb 0.61 -3.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.07 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 57 N 0.86 0.00 0.00 -1.46 4.81 -1.26 -4.93 118.16 116.18 2kgl n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kgl n LYS 57 Cb 0.20 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 34.84 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 -2.69 0.00 -4.72 3.14 7.94 -1.26 -4.86 117.00 114.55 2kgl n LEU 58 Ca 0.00 0.76 -0.23 0.00 -1.11 0.00 0.00 56.01 55.44 2kgl n LEU 58 Cb 0.32 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.95 2kgl n LEU 58 CO 0.00 -0.26 -0.25 -1.81 -1.11 0.00 0.00 177.39 173.96 2kgl s ASP 59 N -2.00 4.94 0.19 1.96 1.11 -1.26 -5.04 116.67 116.56 2kgl s ASP 59 Ca 0.00 -0.51 -0.05 0.00 0.18 0.00 0.00 52.55 52.17 2kgl s ASP 59 Cb 0.00 -1.04 0.11 0.00 1.07 0.00 0.00 42.92 43.05 2kgl s ASP 59 CO 0.00 -0.05 1.54 1.55 1.18 0.00 0.00 175.17 179.39 2kgl h PRO 60 N 1.69 0.71 -4.15 8.23 0.13 -1.94 -3.46 132.00 133.21 2kgl h PRO 60 Ca -0.46 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2kgl h PRO 60 Cb 1.25 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kgl h PRO 60 CO 0.61 0.99 -0.35 0.41 -0.23 0.00 0.00 178.00 179.43 2kgl n GLY 61 N 0.06 -1.93 2.74 1.56 0.00 -1.26 -4.89 105.19 101.47 2kgl n GLY 61 Ca -0.02 0.43 -0.08 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.13 0.78 -1.14 1.61 4.01 -1.26 -4.85 118.16 117.18 2kgl n LYS 62 Ca 0.04 -1.68 -0.29 0.00 -0.51 0.00 0.00 58.31 55.87 2kgl n LYS 62 Cb 0.15 -1.25 0.20 0.00 -0.51 0.00 0.00 35.03 33.62 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2kgl s PRO 63 N 0.54 -0.08 0.29 1.97 0.04 -1.26 -4.97 135.00 131.54 2kgl s PRO 63 Ca 0.29 0.35 0.16 0.00 0.04 0.00 0.00 61.00 61.83 2kgl s PRO 63 Cb 0.24 -1.69 0.08 0.00 0.04 0.00 0.00 34.50 33.17 2kgl s PRO 63 CO -0.19 -3.03 1.45 1.05 0.04 0.00 0.00 177.00 176.32 2kgl h GLU 64 N -2.11 0.00 0.00 4.56 4.11 -2.01 -3.20 114.58 115.94 2kgl h GLU 64 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.90 2kgl h GLU 64 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2kgl h GLU 64 CO 0.52 0.47 0.00 1.03 0.07 0.00 0.00 179.01 181.10 2kgl h SER 65 N 0.00 0.00 -0.75 3.06 0.87 -1.93 -2.62 113.55 112.19 2kgl h SER 65 Ca -0.01 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.70 2kgl h SER 65 Cb 1.36 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.22 2kgl h SER 65 CO 0.06 0.00 0.27 0.40 -0.53 0.00 0.00 176.83 177.03 2kgl h ILE 66 N 0.00 0.62 -0.54 2.23 2.04 -1.94 -0.88 117.51 119.04 2kgl h ILE 66 Ca 0.00 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.83 2kgl h ILE 66 Cb 0.04 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.23 2kgl h ILE 66 CO 0.00 0.07 0.04 -0.07 0.00 0.00 0.00 178.15 178.19 2kgl h LEU 67 N 0.39 -0.15 -1.39 1.44 3.38 -1.73 0.47 115.31 117.72 2kgl h LEU 67 Ca 0.41 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.50 2kgl h LEU 67 Cb 0.65 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 2kgl h LEU 67 CO -0.43 -0.05 0.38 0.50 0.09 0.00 0.00 178.44 178.93 2kgl h LYS 68 N 0.16 0.79 -0.29 1.13 1.63 -1.27 -0.84 116.57 117.88 2kgl h LYS 68 Ca 0.27 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.96 2kgl h LYS 68 Cb 0.41 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2kgl h LYS 68 CO -0.42 0.54 -0.06 0.52 -3.45 0.00 0.00 179.45 176.57 2kgl h MET 69 N 0.81 0.46 -6.45 1.90 2.86 -0.45 -3.47 114.93 110.59 2kgl h MET 69 Ca 0.22 -0.11 -0.49 0.00 -2.06 0.00 0.00 59.70 57.26 2kgl h MET 69 Cb -0.07 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.48 2kgl h MET 69 CO -0.04 0.54 -0.88 0.25 1.06 0.00 0.00 176.91 177.84 2kgl n THR 70 N -4.25 -3.15 -2.24 2.22 -2.24 -0.63 -4.10 114.28 99.88 2kgl n THR 70 Ca 0.01 -0.48 -0.02 0.00 -2.27 0.00 0.00 64.05 61.29 2kgl n THR 70 Cb 0.27 -2.76 -0.02 0.00 -2.10 0.00 0.00 70.33 65.73 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kgl n LYS 71 N -4.39 -4.04 -0.16 -0.78 4.81 -1.26 -4.70 118.16 107.64 2kgl n LYS 71 Ca -0.30 3.07 -0.17 0.00 -0.87 0.00 0.00 58.31 60.04 2kgl n LYS 71 Cb 0.68 -4.15 0.16 0.00 0.02 0.00 0.00 35.03 31.74 2kgl n LYS 71 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kgl n LYS 72 N 1.45 -3.29 -0.03 1.64 4.76 -1.26 -5.02 118.16 116.41 2kgl n LYS 72 Ca -0.17 -0.81 -0.03 0.00 -2.87 0.00 0.00 58.31 54.43 2kgl n LYS 72 Cb 0.26 -1.11 -0.01 0.00 -1.84 0.00 0.00 35.03 32.34 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kgl n GLY 73 N -3.08 -0.67 3.25 0.72 0.00 -1.26 -4.53 105.19 99.61 2kgl n GLY 73 Ca 0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2kgl n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kgl s LYS 74 N -1.65 0.58 1.28 1.61 2.36 -1.26 -0.01 119.74 122.64 2kgl s LYS 74 Ca -0.08 0.11 -0.19 0.00 -2.55 0.00 0.00 55.97 53.26 2kgl s LYS 74 Cb 0.01 0.26 0.30 0.00 -1.05 0.00 0.00 37.83 37.36 2kgl s LYS 74 CO 0.12 -0.13 0.68 0.25 1.55 0.00 0.00 175.35 177.82 2kgl n THR 75 N 1.94 0.00 -4.27 3.43 -2.24 -1.16 -4.79 114.28 107.20 2kgl n THR 75 Ca -0.18 -0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 2kgl n THR 75 Cb 0.57 -0.79 -0.15 0.00 -2.10 0.00 0.00 70.33 67.86 2kgl n THR 75 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kgl s LEU 76 N -4.62 1.73 -0.22 3.22 1.98 -1.26 -4.58 118.68 114.92 2kgl s LEU 76 Ca 0.54 -0.14 -0.07 0.00 -2.89 0.00 0.00 54.13 51.56 2kgl s LEU 76 Cb -0.10 -0.44 0.10 0.00 0.66 0.00 0.00 46.19 46.41 2kgl s LEU 76 CO 0.46 0.03 0.46 0.00 -1.89 0.00 0.00 176.35 175.41 2kgl s MET 77 N 0.29 0.37 -0.13 1.98 0.23 -1.21 -3.28 119.30 117.55 2kgl s MET 77 Ca -0.04 1.08 -0.09 0.00 -1.03 0.00 0.00 55.69 55.61 2kgl s MET 77 Cb -0.08 0.38 0.05 0.00 -1.53 0.00 0.00 34.83 33.64 2kgl s MET 77 CO 0.00 -0.27 0.33 -1.64 -2.03 0.00 0.00 175.02 171.41 2kgl s MET 78 N 2.66 0.33 -0.09 3.16 -1.94 -1.09 -2.29 119.30 120.05 2kgl s MET 78 Ca -0.01 0.59 -0.02 0.00 -1.71 0.00 0.00 55.69 54.54 2kgl s MET 78 Cb -0.12 0.02 0.03 0.00 2.01 0.00 0.00 34.83 36.77 2kgl s MET 78 CO -0.14 -0.12 0.01 -0.06 -0.01 0.00 0.00 175.02 174.70 2kgl s PHE 79 N 0.90 0.66 -0.06 -0.03 0.08 0.26 -3.03 117.98 116.76 2kgl s PHE 79 Ca -0.06 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.65 2kgl s PHE 79 Cb -0.07 -0.81 0.02 0.00 -0.57 0.00 0.00 43.02 41.60 2kgl s PHE 79 CO -0.07 -0.36 0.27 0.54 -0.10 0.00 0.00 175.22 175.50 2kgl s VAL 80 N 1.97 0.03 -0.45 -0.44 0.11 -1.18 -0.81 120.40 119.63 2kgl s VAL 80 Ca 0.04 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.89 2kgl s VAL 80 Cb -0.13 -0.46 0.15 0.00 -1.53 0.00 0.00 36.38 34.42 2kgl s VAL 80 CO -0.06 -0.13 0.30 0.28 -3.33 0.00 0.00 175.10 172.17 2kgl s THR 81 N -0.47 1.00 -0.21 5.04 -1.32 0.56 -2.53 115.64 117.69 2kgl s THR 81 Ca -0.06 -2.65 -0.33 0.00 -1.21 0.00 0.00 61.69 57.44 2kgl s THR 81 Cb -0.04 -1.69 0.15 0.00 -1.51 0.00 0.00 72.50 69.41 2kgl s THR 81 CO 0.02 -1.04 1.22 0.54 -2.21 0.00 0.00 174.62 173.14 2kgl s VAL 82 N 0.15 0.00 -0.51 5.08 0.11 0.12 -2.58 120.40 122.77 2kgl s VAL 82 Ca 0.24 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.00 2kgl s VAL 82 Cb -0.12 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2kgl s VAL 82 CO -0.09 0.00 1.25 -0.94 -3.33 0.00 0.00 175.10 171.99 2kgl s SER 83 N -1.76 6.44 0.00 3.54 1.04 -1.25 -3.31 113.70 118.40 2kgl s SER 83 Ca 0.08 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.91 2kgl s SER 83 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2kgl s SER 83 CO -0.05 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.35 2kgl n GLY 84 N 5.03 0.67 3.65 7.32 0.00 -1.26 -4.71 105.19 115.88 2kgl n GLY 84 Ca 0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 2kgl n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kgl s ASN 85 N -0.62 -0.22 -0.70 1.61 3.84 -1.26 -4.49 114.94 113.10 2kgl s ASN 85 Ca 0.00 0.39 -0.26 0.00 0.21 0.00 0.00 52.86 53.20 2kgl s ASN 85 Cb 0.00 0.67 -0.03 0.00 -0.55 0.00 0.00 41.25 41.34 2kgl s ASN 85 CO 0.00 -0.06 1.89 -2.16 -2.79 0.00 0.00 177.10 173.97 2kgl s PRO 86 N 0.53 2.61 0.00 0.43 0.04 -1.26 -4.43 135.00 132.91 2kgl s PRO 86 Ca 0.00 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2kgl s PRO 86 Cb -0.04 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2kgl s PRO 86 CO -0.12 -2.92 0.69 2.41 0.04 0.00 0.00 177.00 177.09 2kgl n THR 87 N 7.41 0.00 -0.11 1.26 -1.04 -1.26 -4.97 114.28 115.56 2kgl n THR 87 Ca 0.26 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.21 2kgl n THR 87 Cb 0.51 0.20 0.01 0.00 -1.82 0.00 0.00 70.33 69.23 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kgl h GLU 88 N 0.00 0.33 0.38 -2.82 -0.00 -1.93 0.31 114.58 110.86 2kgl h GLU 88 Ca -0.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.10 2kgl h GLU 88 Cb 1.15 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 29.83 2kgl h GLU 88 CO -0.11 0.22 -0.18 0.87 -0.00 0.00 0.00 179.01 179.80 2kgl h LYS 89 N 0.34 -0.49 -0.87 1.06 1.57 -1.99 -3.12 116.57 113.07 2kgl h LYS 89 Ca 0.16 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.11 2kgl h LYS 89 Cb 0.10 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 2kgl h LYS 89 CO -0.13 -0.18 0.56 0.93 -0.57 0.00 0.00 179.45 180.06 2kgl h GLU 90 N -0.86 0.66 -0.21 3.15 4.39 -1.92 -2.37 114.58 117.41 2kgl h GLU 90 Ca -0.05 -0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.66 2kgl h GLU 90 Cb 0.54 -0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 2kgl h GLU 90 CO 0.09 0.43 -0.38 1.15 -1.16 0.00 0.00 179.01 179.14 2kgl h THR 91 N 0.68 0.18 -0.48 1.13 2.02 -0.31 0.24 112.91 116.38 2kgl h THR 91 Ca 0.43 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.75 2kgl h THR 91 Cb 0.69 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2kgl h THR 91 CO -0.19 0.00 0.39 -0.33 0.37 0.00 0.00 175.52 175.76 2kgl h GLU 92 N -0.41 0.00 0.00 6.66 5.08 -1.43 0.32 114.58 124.81 2kgl h GLU 92 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.34 2kgl h GLU 92 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2kgl h GLU 92 CO -0.44 0.00 -0.59 1.49 -1.00 0.00 0.00 179.01 178.47 2kgl h GLU 93 N 0.00 0.00 -0.19 2.33 4.81 -0.59 -3.34 114.58 117.60 2kgl h GLU 93 Ca 0.23 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.51 2kgl h GLU 93 Cb 1.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.31 2kgl h GLU 93 CO -0.00 0.58 -0.39 0.82 -0.73 0.00 0.00 179.01 179.29 2kgl h ILE 94 N 0.00 0.18 -0.69 2.32 1.08 0.18 -1.24 117.51 119.35 2kgl h ILE 94 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.60 2kgl h ILE 94 Cb 1.45 0.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.29 2kgl h ILE 94 CO 0.08 0.00 0.21 0.74 -0.69 0.00 0.00 178.15 178.48 2kgl h THR 95 N -0.43 0.63 0.37 -0.27 2.02 -1.68 0.32 112.91 113.87 2kgl h THR 95 Ca 0.10 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2kgl h THR 95 Cb 0.60 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2kgl h THR 95 CO -0.42 0.06 -0.36 -1.28 0.37 0.00 0.00 175.52 173.88 2kgl h SER 96 N 0.34 -1.00 -0.11 4.18 0.87 -1.42 -2.16 113.55 114.26 2kgl h SER 96 Ca 0.37 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 61.04 2kgl h SER 96 Cb 0.57 0.33 -0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2kgl h SER 96 CO -0.42 -0.48 0.08 -0.07 -0.53 0.00 0.00 176.83 175.41 2kgl h LEU 97 N -0.73 0.00 -1.79 2.23 3.38 -0.94 -1.66 115.31 115.80 2kgl h LEU 97 Ca -0.05 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.20 2kgl h LEU 97 Cb 0.63 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2kgl h LEU 97 CO -0.04 0.00 0.70 -0.25 0.09 0.00 0.00 178.44 178.93 2kgl h TRP 98 N 0.00 0.22 -0.90 1.13 2.91 0.33 0.89 115.95 120.53 2kgl h TRP 98 Ca 0.05 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.24 2kgl h TRP 98 Cb 0.21 -0.07 -0.10 0.00 -0.51 0.00 0.00 29.16 28.70 2kgl h TRP 98 CO 0.00 0.03 0.49 1.96 -1.03 0.00 0.00 178.44 179.89 2kgl h GLN 99 N 0.15 0.66 -0.21 2.65 7.50 -1.26 -0.69 115.11 123.91 2kgl h GLN 99 Ca 0.50 -0.04 -0.10 0.00 0.50 0.00 0.00 58.65 59.51 2kgl h GLN 99 Cb 1.73 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 29.11 2kgl h GLN 99 CO -0.10 0.43 -0.28 0.78 -1.50 0.00 0.00 178.83 178.17 2kgl h GLY 100 N 0.68 0.61 2.00 3.46 0.00 -1.02 -3.07 103.07 105.72 2kgl h GLY 100 Ca 0.49 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 47.17 2kgl h GLY 100 CO -0.36 0.59 -0.00 1.76 0.00 0.00 0.00 176.54 178.52 2kgl h SER 101 N 0.23 0.00 0.04 0.19 0.02 -1.27 -1.38 113.55 111.38 2kgl h SER 101 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2kgl h SER 101 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 2kgl h SER 101 CO 0.06 0.00 -0.39 0.25 -1.14 0.00 0.00 176.83 175.62 2kgl h LEU 102 N 0.00 0.47 -2.01 5.07 5.85 -1.07 -2.83 115.31 120.79 2kgl h LEU 102 Ca -0.00 -0.20 0.14 0.00 0.84 0.00 0.00 57.88 58.66 2kgl h LEU 102 Cb 0.01 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2kgl h LEU 102 CO 0.00 0.81 0.36 0.15 -0.34 0.00 0.00 178.44 179.42 2kgl h PHE 103 N 0.38 0.00 0.00 1.25 3.04 -1.18 0.24 116.94 120.67 2kgl h PHE 103 Ca 0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2kgl h PHE 103 Cb 0.85 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.36 2kgl h PHE 103 CO 0.03 0.00 0.00 -0.91 -2.02 0.00 0.00 178.31 175.41 2kgl h ASN 104 N 0.00 0.00 -0.45 0.41 -0.26 -1.57 -3.44 115.58 110.27 2kgl h ASN 104 Ca 0.23 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.77 2kgl h ASN 104 Cb 0.94 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 38.12 2kgl h ASN 104 CO -0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 177.43 176.19 2kgl n ALA 105 N -2.00 -0.14 -2.06 -0.83 0.00 0.85 -4.55 120.51 111.77 2kgl n ALA 105 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 2kgl n ALA 105 Cb 0.10 -1.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.00 -4.60 0.00 2.85 -1.26 -4.82 115.26 106.66 2kgl n ASN 106 Ca -0.09 -1.63 -0.43 0.00 -0.11 0.00 0.00 54.58 52.32 2kgl n ASN 106 Cb 0.49 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.44 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 0.06 1.23 -3.90 1.20 4.11 -1.25 -2.89 117.16 115.72 2kgl n TYR 107 Ca -0.03 0.61 -0.27 0.00 -0.00 0.00 0.00 57.90 58.21 2kgl n TYR 107 Cb 0.68 -2.24 -0.17 0.00 -0.00 0.00 0.00 39.34 37.61 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2kgl s ASP 108 N -0.65 2.15 -0.08 9.48 -1.08 -0.74 -4.85 116.67 120.91 2kgl s ASP 108 Ca 0.61 -0.29 -0.06 0.00 -0.52 0.00 0.00 52.55 52.28 2kgl s ASP 108 Cb -0.61 -0.82 0.02 0.00 -1.46 0.00 0.00 42.92 40.06 2kgl s ASP 108 CO 0.58 -0.13 0.20 -0.69 0.52 0.00 0.00 175.17 175.66 2kgl s VAL 109 N 1.73 -0.01 -0.04 1.11 1.01 -1.26 -1.62 120.40 121.32 2kgl s VAL 109 Ca 0.05 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2kgl s VAL 109 Cb -0.13 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 35.99 2kgl s VAL 109 CO -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 175.10 175.01 2kgl s GLN 110 N 0.29 0.58 -0.05 2.72 -2.07 0.89 -4.72 119.66 117.30 2kgl s GLN 110 Ca -0.02 -0.02 0.06 0.00 -1.82 0.00 0.00 55.36 53.57 2kgl s GLN 110 Cb -0.03 -0.67 -0.01 0.00 -1.09 0.00 0.00 33.01 31.21 2kgl s GLN 110 CO -0.01 -0.10 -0.25 -0.98 -1.32 0.00 0.00 175.29 172.62 2kgl s ARG 111 N 0.96 2.48 -0.03 9.60 1.70 0.58 -1.58 118.95 132.66 2kgl s ARG 111 Ca -0.11 -0.91 -0.01 0.00 -0.47 0.00 0.00 55.73 54.24 2kgl s ARG 111 Cb -0.14 -2.15 0.03 0.00 -0.57 0.00 0.00 34.95 32.13 2kgl s ARG 111 CO -0.01 0.41 0.05 0.12 -1.08 0.00 0.00 175.30 174.79 2kgl s PHE 112 N -0.24 0.01 -0.12 5.89 5.36 -1.02 -3.82 117.98 124.05 2kgl s PHE 112 Ca -0.01 0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 56.14 2kgl s PHE 112 Cb -0.13 -0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.31 2kgl s PHE 112 CO 0.03 -0.12 -0.07 0.96 -1.46 0.00 0.00 175.22 174.56 2kgl s ILE 113 N 1.29 1.01 -0.05 3.12 -4.36 -1.26 -3.08 121.20 117.87 2kgl s ILE 113 Ca -0.06 -0.30 -0.11 0.00 -0.26 0.00 0.00 60.65 59.92 2kgl s ILE 113 Cb -0.13 -1.04 0.02 0.00 1.25 0.00 0.00 42.46 42.56 2kgl s ILE 113 CO -0.03 0.35 0.25 -0.69 0.24 0.00 0.00 174.94 175.06 2kgl s VAL 114 N 1.71 0.03 0.59 8.37 1.01 -1.10 -5.02 120.40 126.00 2kgl s VAL 114 Ca 0.05 -0.29 0.29 0.00 0.00 0.00 0.00 61.98 62.02 2kgl s VAL 114 Cb -0.13 -0.46 0.38 0.00 0.00 0.00 0.00 36.38 36.17 2kgl s VAL 114 CO -0.08 -0.16 1.91 1.23 0.00 0.00 0.00 175.10 178.00 2kgl h GLY 115 N 4.86 0.00 0.39 4.51 0.00 -2.05 -2.23 103.07 108.54 2kgl h GLY 115 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2kgl h GLY 115 CO 0.37 0.00 -0.15 1.76 0.00 0.00 0.00 176.54 178.52 2kgl h SER 116 N 0.00 -0.37 -5.07 0.19 0.02 -2.03 -3.49 113.55 102.80 2kgl h SER 116 Ca 0.20 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2kgl h SER 116 Cb 1.11 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.69 2kgl h SER 116 CO -0.00 0.10 0.15 -1.81 -1.14 0.00 0.00 176.83 174.13 2kgl s ASP 117 N -5.11 -0.14 -0.03 3.07 1.01 -0.84 -4.78 116.67 109.85 2kgl s ASP 117 Ca -0.09 -0.79 0.03 0.00 0.71 0.00 0.00 52.55 52.41 2kgl s ASP 117 Cb 0.01 0.72 0.00 0.00 1.01 0.00 0.00 42.92 44.66 2kgl s ASP 117 CO 0.31 -1.36 -0.12 -0.60 0.21 0.00 0.00 175.17 173.60 2kgl s ARG 118 N -3.65 1.27 -0.06 8.23 3.00 -1.21 -2.71 118.95 123.83 2kgl s ARG 118 Ca 0.15 -0.43 -0.02 0.00 -1.00 0.00 0.00 55.73 54.43 2kgl s ARG 118 Cb -0.05 -1.15 0.04 0.00 0.00 0.00 0.00 34.95 33.79 2kgl s ARG 118 CO 0.09 0.17 0.12 0.00 0.00 0.00 0.00 175.30 175.68 2kgl s ALA 119 N 0.11 -0.19 -0.01 6.12 0.00 -1.18 0.13 121.76 126.75 2kgl s ALA 119 Ca -0.03 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2kgl s ALA 119 Cb -0.09 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 2kgl s ALA 119 CO 0.01 -0.17 -0.07 -1.50 0.00 0.00 0.00 175.76 174.03 2kgl s ILE 120 N 1.22 0.54 -0.06 0.00 1.10 -1.05 -2.44 121.20 120.51 2kgl s ILE 120 Ca -0.08 -0.27 -0.02 0.00 -0.51 0.00 0.00 60.65 59.77 2kgl s ILE 120 Cb -0.12 -0.48 0.03 0.00 0.15 0.00 0.00 42.46 42.04 2kgl s ILE 120 CO -0.05 0.17 0.03 0.12 -2.11 0.00 0.00 174.94 173.09 2kgl s PHE 121 N 0.02 0.38 -0.08 3.50 2.19 -0.61 -3.12 117.98 120.26 2kgl s PHE 121 Ca 0.00 0.02 -0.03 0.00 0.33 0.00 0.00 56.93 57.25 2kgl s PHE 121 Cb -0.05 -0.65 0.04 0.00 -1.31 0.00 0.00 43.02 41.05 2kgl s PHE 121 CO -0.00 -0.27 0.14 0.00 1.83 0.00 0.00 175.22 176.91 2kgl s MET 122 N 2.07 0.01 0.03 10.12 0.23 -1.17 -0.08 119.30 130.50 2kgl s MET 122 Ca 0.05 0.51 0.03 0.00 -1.03 0.00 0.00 55.69 55.25 2kgl s MET 122 Cb -0.12 -0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 32.81 2kgl s MET 122 CO -0.04 -0.32 -0.10 -1.17 -2.03 0.00 0.00 175.02 171.36 2kgl s LEU 123 N 2.26 2.15 0.45 0.18 2.96 -0.64 -2.66 118.68 123.39 2kgl s LEU 123 Ca 0.04 -0.38 0.22 0.00 -0.22 0.00 0.00 54.13 53.79 2kgl s LEU 123 Cb -0.12 -0.39 1.21 0.00 0.50 0.00 0.00 46.19 47.39 2kgl s LEU 123 CO -0.05 -0.02 1.86 0.08 -1.32 0.00 0.00 176.35 176.90 2kgl h ARG 124 N 5.12 0.27 0.00 1.98 0.11 -1.85 -3.14 114.38 116.87 2kgl h ARG 124 Ca -0.35 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.72 2kgl h ARG 124 Cb 1.19 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2kgl h ARG 124 CO 0.45 0.18 0.00 -0.25 0.10 0.00 0.00 179.97 180.44 2kgl n ASP 125 N -4.45 -0.68 0.02 0.08 8.00 -1.26 -4.28 116.55 113.98 2kgl n ASP 125 Ca 0.19 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 55.12 2kgl n ASP 125 Cb 0.79 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgl n GLY 126 N 3.14 -0.08 0.10 0.44 0.00 -1.14 -1.79 105.19 105.86 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 0.20 -0.86 1.61 0.87 -1.97 -2.98 113.55 110.43 2kgl h SER 127 Ca 0.00 -0.47 0.18 0.00 -1.23 0.00 0.00 61.79 60.27 2kgl h SER 127 Cb 0.00 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.84 2kgl h SER 127 CO 0.00 0.63 0.57 0.22 -0.53 0.00 0.00 176.83 177.71 2kgl h TYR 128 N -0.22 0.59 -0.00 2.24 5.03 -1.98 0.25 116.97 122.88 2kgl h TYR 128 Ca 0.01 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 2kgl h TYR 128 Cb 0.57 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 2kgl h TYR 128 CO 0.08 0.19 -0.50 0.00 -1.32 0.00 0.00 178.16 176.61 2kgl h ALA 129 N 1.62 1.17 -0.43 1.82 0.00 -1.84 -2.75 119.26 118.84 2kgl h ALA 129 Ca 0.44 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2kgl h ALA 129 Cb 0.98 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2kgl h ALA 129 CO -0.17 0.63 0.01 2.35 0.00 0.00 0.00 179.25 182.07 2kgl h TRP 130 N 0.00 0.82 0.04 0.00 -0.00 -0.36 0.24 115.95 116.70 2kgl h TRP 130 Ca -0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 58.89 58.75 2kgl h TRP 130 Cb 0.89 -0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.84 2kgl h TRP 130 CO 0.00 0.81 -0.02 0.93 -0.00 0.00 0.00 178.44 180.16 2kgl h GLU 131 N 0.60 -0.05 0.00 2.65 5.08 -1.40 -3.00 114.58 118.46 2kgl h GLU 131 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2kgl h GLU 131 Cb 0.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kgl h GLU 131 CO 0.02 0.24 -0.34 0.82 -1.00 0.00 0.00 179.01 178.75 2kgl h ILE 132 N -0.34 1.24 0.19 3.13 1.08 -1.49 -3.13 117.51 118.20 2kgl h ILE 132 Ca -0.01 -1.16 -0.00 0.00 -0.39 0.00 0.00 64.86 63.30 2kgl h ILE 132 Cb 0.31 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.67 2kgl h ILE 132 CO 0.01 0.33 -0.31 0.50 -0.69 0.00 0.00 178.15 177.99 2kgl h LYS 133 N 0.00 -0.51 -0.84 2.37 3.11 -0.38 0.27 116.57 120.60 2kgl h LYS 133 Ca -0.00 0.03 0.17 0.00 -2.81 0.00 0.00 60.65 58.05 2kgl h LYS 133 Cb 0.60 0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 31.89 2kgl h LYS 133 CO 0.04 -0.34 0.55 0.22 -2.81 0.00 0.00 179.45 177.12 2kgl h ASP 134 N -0.53 0.42 0.51 4.20 1.82 -1.56 0.26 116.42 121.53 2kgl h ASP 134 Ca -0.02 0.03 -0.10 0.00 -0.39 0.00 0.00 57.03 56.55 2kgl h ASP 134 Cb 0.49 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2kgl h ASP 134 CO -0.10 0.19 -0.50 0.15 -1.61 0.00 0.00 179.24 177.37 2kgl h PHE 135 N 0.43 0.00 0.43 0.28 3.57 -1.29 -2.77 116.94 117.59 2kgl h PHE 135 Ca 0.42 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.90 2kgl h PHE 135 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2kgl h PHE 135 CO -0.00 0.50 -0.21 1.25 -2.23 0.00 0.00 178.31 177.62 2kgl h LEU 136 N 0.00 -0.49 -2.00 0.59 7.12 0.31 -3.16 115.31 117.68 2kgl h LEU 136 Ca -0.00 0.02 0.24 0.00 0.13 0.00 0.00 57.88 58.26 2kgl h LEU 136 Cb 0.89 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.11 2kgl h LEU 136 CO 0.06 -0.20 0.60 1.62 -0.13 0.00 0.00 178.44 180.39 2kgl h VAL 137 N -0.88 0.58 -0.29 1.05 3.04 -1.54 0.25 116.25 118.47 2kgl h VAL 137 Ca -0.06 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.71 2kgl h VAL 137 Cb 0.44 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 2kgl h VAL 137 CO 0.10 0.00 0.21 -1.28 -1.01 0.00 0.00 177.57 175.58 2kgl h SER 138 N 0.00 0.00 0.54 3.17 0.87 -1.45 -2.55 113.55 114.12 2kgl h SER 138 Ca 0.39 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.93 2kgl h SER 138 Cb 1.59 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.56 2kgl h SER 138 CO -0.00 0.00 -0.26 -0.61 -0.53 0.00 0.00 176.83 175.43 2kgl h GLN 139 N 0.00 -0.70 -1.37 2.24 5.75 -0.55 -3.39 115.11 117.09 2kgl h GLN 139 Ca 0.14 0.05 -0.35 0.00 -0.15 0.00 0.00 58.65 58.34 2kgl h GLN 139 Cb 0.55 0.16 -0.10 0.00 1.07 0.00 0.00 27.48 29.16 2kgl h GLN 139 CO -0.00 -0.39 -0.36 -3.47 -2.65 0.00 0.00 178.83 171.96 2kgl n ASP 140 N -5.32 -5.05 -2.66 -0.69 2.03 -0.96 -4.54 116.55 99.35 2kgl n ASP 140 Ca -0.11 0.27 -0.03 0.00 0.52 0.00 0.00 54.79 55.44 2kgl n ASP 140 Cb 0.33 -4.09 0.03 0.00 -0.72 0.00 0.00 41.12 36.66 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kgl n ARG 141 N -2.55 0.17 -3.80 -0.67 0.63 -1.07 -4.88 116.66 104.50 2kgl n ARG 141 Ca -0.18 -0.70 -0.12 0.00 -0.92 0.00 0.00 57.85 55.92 2kgl n ARG 141 Cb 0.59 -0.05 -0.10 0.00 0.45 0.00 0.00 32.46 33.35 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 1.12 -0.16 0.00 0.00 -1.26 -0.33 121.76 120.50 2kgl s ALA 143 Ca -0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 2kgl s ALA 143 Cb -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.45 2kgl s ALA 143 CO 0.02 -0.17 0.38 -1.21 0.00 0.00 0.00 175.76 174.78 2kgl s GLU 144 N 1.24 0.35 -0.17 0.00 0.41 0.01 -4.06 118.70 116.47 2kgl s GLU 144 Ca -0.05 0.79 -0.07 0.00 -0.41 0.00 0.00 54.97 55.24 2kgl s GLU 144 Cb -0.14 0.02 0.08 0.00 -1.78 0.00 0.00 34.13 32.30 2kgl s GLU 144 CO -0.02 -0.18 0.37 0.14 -0.49 0.00 0.00 175.26 175.08 2kgl s VAL 145 N 1.62 -0.45 -0.09 2.63 -7.23 -1.26 -0.58 120.40 115.04 2kgl s VAL 145 Ca -0.08 0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.26 2kgl s VAL 145 Cb -0.09 -0.59 0.03 0.00 0.56 0.00 0.00 36.38 36.28 2kgl s VAL 145 CO -0.12 0.08 -0.03 0.42 -0.31 0.00 0.00 175.10 175.14 2kgl s THR 146 N 2.28 0.60 -0.00 5.32 -4.23 -0.97 -4.75 115.64 113.89 2kgl s THR 146 Ca -0.03 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.30 2kgl s THR 146 Cb -0.11 -0.71 0.03 0.00 1.34 0.00 0.00 72.50 73.04 2kgl s THR 146 CO -0.12 0.30 0.33 -1.48 -0.54 0.00 0.00 174.62 173.12 2kgl s LEU 147 N 1.88 0.75 0.00 4.79 -0.00 -1.26 -3.34 118.68 121.50 2kgl s LEU 147 Ca 0.05 0.06 -0.16 0.00 -0.00 0.00 0.00 54.13 54.08 2kgl s LEU 147 Cb -0.12 1.38 0.06 0.00 -0.00 0.00 0.00 46.19 47.51 2kgl s LEU 147 CO -0.06 -0.50 0.83 1.21 -0.00 0.00 0.00 176.35 177.83 2kgl n GLU 148 N 1.08 0.99 -1.80 1.48 4.07 -1.26 -4.90 120.64 120.30 2kgl n GLU 148 Ca -0.21 -1.98 -0.01 0.00 -0.06 0.00 0.00 57.16 54.90 2kgl n GLU 148 Cb 0.57 2.51 0.02 0.00 -0.06 0.00 0.00 31.44 34.48 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kgl n GLY 149 N -0.57 1.18 0.00 8.31 0.00 -1.26 -4.33 105.19 108.52 2kgl n GLY 149 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2kgl n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kgl n GLN 150 N -0.25 0.00 0.00 1.61 1.13 -1.26 -4.76 117.38 113.85 2kgl n GLN 150 Ca -0.09 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2kgl n GLN 150 Cb 0.89 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 30.20 2kgl n GLN 150 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2kgl n MET 151 N -0.99 0.00 -2.71 -1.09 2.81 -1.26 -4.95 117.12 108.93 2kgl n MET 151 Ca 0.00 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 2kgl n MET 151 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.59 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kgl n TYR 152 N 0.00 -2.16 -1.61 2.03 4.01 0.98 -5.01 117.16 115.40 2kgl n TYR 152 Ca 0.00 -1.48 -0.32 0.00 -0.16 0.00 0.00 57.90 55.94 2kgl n TYR 152 Cb 0.00 1.43 0.06 0.00 -0.31 0.00 0.00 39.34 40.52 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kgl s PRO 153 N 0.35 2.64 0.19 -0.72 0.04 -0.54 -2.98 135.00 133.98 2kgl s PRO 153 Ca 0.26 1.33 0.24 0.00 0.04 0.00 0.00 61.00 62.87 2kgl s PRO 153 Cb 0.25 -1.93 0.45 0.00 0.04 0.00 0.00 34.50 33.31 2kgl s PRO 153 CO -0.15 -1.37 1.46 0.78 0.04 0.00 0.00 177.00 177.76 2kgl h GLY 154 N -0.30 0.00 0.14 0.56 0.00 -1.89 -3.34 103.07 98.24 2kgl h GLY 154 Ca -0.46 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.06 2kgl h GLY 154 CO 0.53 0.00 0.61 0.50 0.00 0.00 0.00 176.54 178.19 2kgl h LYS 155 N 0.00 0.71 0.00 4.80 1.57 -1.94 -3.39 116.57 118.32 2kgl h LYS 155 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2kgl h LYS 155 Cb 0.80 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2kgl h LYS 155 CO 0.00 0.47 0.00 0.41 -0.57 0.00 0.00 179.45 179.76 2kgl n GLY 156 N -1.35 1.63 0.39 3.86 0.00 -1.25 -4.35 105.19 104.11 2kgl n GLY 156 Ca 0.23 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.41 2kgl n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kgl h GLY 157 N 0.00 1.18 -5.94 -0.02 0.00 -1.95 -3.47 103.07 92.87 2kgl h GLY 157 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.86 2kgl h GLY 157 CO 0.00 -0.01 -0.50 0.61 0.00 0.00 0.00 176.54 176.65 2kgl n GLY 158 N -1.45 -1.24 0.31 4.60 0.00 -1.26 -4.91 105.19 101.23 2kgl n GLY 158 Ca 0.20 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.06 -0.99 -5.34 1.61 0.87 -1.93 -3.47 113.55 104.25 2kgl h SER 159 Ca -0.30 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2kgl h SER 159 Cb 1.18 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2kgl h SER 159 CO 0.34 -0.37 -0.45 1.17 -0.53 0.00 0.00 176.83 176.99 2kgl n LYS 160 N -4.36 -2.22 0.00 2.24 4.81 -1.26 -4.97 118.16 112.41 2kgl n LYS 160 Ca -0.06 2.01 0.00 0.00 -0.87 0.00 0.00 58.31 59.39 2kgl n LYS 160 Cb 0.27 -5.58 0.00 0.00 0.02 0.00 0.00 35.03 29.74 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 -0.52 0.87 -2.57 1.64 4.07 -1.26 -5.01 120.64 117.86 2kgl n GLU 161 Ca 0.09 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.17 2kgl n GLU 161 Cb 0.47 -0.90 0.00 0.00 -0.06 0.00 0.00 31.44 30.96 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kgl n LYS 162 N -2.12 -2.55 -4.35 5.31 4.81 -0.42 -5.02 118.16 113.81 2kgl n LYS 162 Ca 0.00 2.20 -0.19 0.00 -0.87 0.00 0.00 58.31 59.45 2kgl n LYS 162 Cb 0.40 -4.83 -0.15 0.00 0.02 0.00 0.00 35.03 30.46 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 -1.79 1.05 0.14 3.14 3.84 -1.24 -4.93 114.94 115.16 2kgl s ASN 163 Ca 0.09 -0.16 -0.29 0.00 0.21 0.00 0.00 52.86 52.71 2kgl s ASN 163 Cb -0.03 -0.19 -0.07 0.00 -0.55 0.00 0.00 41.25 40.42 2kgl s ASN 163 CO 0.65 0.09 0.92 -0.54 -2.79 0.00 0.00 177.10 175.43 2kgl s LYS 164 N -0.03 4.71 -0.15 0.43 1.02 -1.26 -3.80 119.74 120.65 2kgl s LYS 164 Ca 0.01 1.40 -0.07 0.00 0.02 0.00 0.00 55.97 57.33 2kgl s LYS 164 Cb -0.05 -3.35 0.06 0.00 -0.52 0.00 0.00 37.83 33.98 2kgl s LYS 164 CO -0.00 0.32 0.34 0.99 -0.92 0.00 0.00 175.35 176.07 2kgl s THR 165 N -0.36 -0.26 -0.08 2.17 2.01 -1.26 -5.06 115.64 112.80 2kgl s THR 165 Ca 0.44 0.17 -0.14 0.00 0.31 0.00 0.00 61.69 62.47 2kgl s THR 165 Cb -0.24 -0.52 -0.11 0.00 0.01 0.00 0.00 72.50 71.64 2kgl s THR 165 CO 0.29 0.07 0.51 0.11 -0.69 0.00 0.00 174.62 174.92 2kgl h LYS 166 N 7.65 -0.16 0.00 4.92 6.56 -2.04 -3.27 116.57 130.24 2kgl h LYS 166 Ca -0.28 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.32 2kgl h LYS 166 Cb 1.14 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 2kgl h LYS 166 CO 0.24 0.17 0.00 -0.35 -2.06 0.00 0.00 179.45 177.45 2kgl n PRO 167 N -4.86 0.49 -0.10 3.15 -0.04 -1.26 -3.21 135.00 129.17 2kgl n PRO 167 Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 2kgl n PRO 167 Cb 0.20 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2kgl n PRO 167 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kgl h GLU 168 N 0.00 0.67 -0.28 0.54 4.22 -1.98 -1.68 114.58 116.07 2kgl h GLU 168 Ca 0.00 -0.32 -0.08 0.00 0.08 0.00 0.00 59.36 59.04 2kgl h GLU 168 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kgl h GLU 168 CO 0.00 0.93 -0.17 1.57 -2.18 0.00 0.00 179.01 179.16 2kgl h LYS 169 N 0.41 0.49 -0.23 1.92 2.10 -1.77 -2.83 116.57 116.66 2kgl h LYS 169 Ca 0.06 -0.15 -0.18 0.00 -2.00 0.00 0.00 60.65 58.37 2kgl h LYS 169 Cb 0.77 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.05 2kgl h LYS 169 CO 0.06 0.64 -0.58 0.00 -2.00 0.00 0.00 179.45 177.57 2kgl h ALA 170 N 1.38 0.54 -0.33 0.07 0.00 -1.74 -2.06 119.26 117.13 2kgl h ALA 170 Ca 0.08 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2kgl h ALA 170 Cb 0.55 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2kgl h ALA 170 CO 0.04 0.69 0.17 -0.22 0.00 0.00 0.00 179.25 179.93 2kgl h LYS 171 N 0.56 0.34 -0.08 0.00 1.63 -1.08 0.20 116.57 118.14 2kgl h LYS 171 Ca 0.00 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 2kgl h LYS 171 Cb 1.16 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2kgl h LYS 171 CO 0.12 0.23 -0.49 -0.22 -3.45 0.00 0.00 179.45 175.64 2kgl h LYS 172 N 0.36 0.22 0.00 1.90 3.64 -1.52 -2.81 116.57 118.35 2kgl h LYS 172 Ca 0.13 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 2kgl h LYS 172 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2kgl h LYS 172 CO -0.08 0.66 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.16 2kgl h LYS 173 N 0.17 0.00 0.20 1.90 3.64 -0.79 -3.26 116.57 118.44 2kgl h LYS 173 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2kgl h LYS 173 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2kgl h LYS 173 CO 0.07 0.38 -0.10 0.93 -2.27 0.00 0.00 179.45 178.47 2kgl h GLU 174 N 0.00 -0.26 0.00 1.90 5.08 -0.35 -3.43 114.58 117.51 2kgl h GLU 174 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2kgl h GLU 174 Cb 0.98 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2kgl h GLU 174 CO 0.05 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.56 2kgl n GLY 175 N -0.14 1.32 0.31 -3.84 0.00 -1.18 -3.66 105.19 98.00 2kgl n GLY 175 Ca -0.09 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.62 -0.20 1.61 5.19 -1.85 -1.20 116.42 119.34 2kgl h ASP 176 Ca 0.00 0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.28 2kgl h ASP 176 Cb 0.00 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 2kgl h ASP 176 CO 0.00 -0.24 -0.41 1.55 -3.12 0.00 0.00 179.24 177.02 2kgl h PRO 177 N -1.14 0.75 -2.34 3.56 0.13 -1.97 -3.36 132.00 127.63 2kgl h PRO 177 Ca -0.08 -0.40 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 2kgl h PRO 177 Cb 0.56 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.31 2kgl h PRO 177 CO 0.12 1.02 -0.82 1.63 -0.23 0.00 0.00 178.00 179.72 2kgl n LYS 178 N -4.04 1.40 -1.67 0.86 4.76 -1.25 -5.11 118.16 113.10 2kgl n LYS 178 Ca -0.02 -3.91 -0.33 0.00 -2.87 0.00 0.00 58.31 51.18 2kgl n LYS 178 Cb 0.54 -1.83 0.05 0.00 -1.84 0.00 0.00 35.03 31.95 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kgl s PRO 179 N -1.41 2.71 -0.54 1.97 0.04 -0.45 -4.32 135.00 132.99 2kgl s PRO 179 Ca 0.34 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2kgl s PRO 179 Cb 0.10 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.72 2kgl s PRO 179 CO -0.11 -1.31 0.64 -2.13 0.04 0.00 0.00 177.00 174.13 2kgl n ARG 180 N -2.61 -1.95 0.00 4.56 0.63 -1.24 -4.85 116.66 111.20 2kgl n ARG 180 Ca 0.10 1.64 0.00 0.00 -0.92 0.00 0.00 57.85 58.67 2kgl n ARG 180 Cb 0.52 -4.25 0.00 0.00 0.45 0.00 0.00 32.46 29.19 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl n ALA 181 N -0.84 0.00 -0.31 5.13 0.00 -1.26 -4.97 120.51 118.26 2kgl n ALA 181 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 2kgl n ALA 181 Cb 0.56 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.08 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 1.12 -1.00 0.00 4.64 -1.81 -2.57 113.55 113.92 2kgl h SER 182 Ca 0.00 -0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 2kgl h SER 182 Cb 0.00 -0.29 -0.06 0.00 -0.31 0.00 0.00 62.40 61.74 2kgl h SER 182 CO 0.00 0.96 0.65 0.50 -0.87 0.00 0.00 176.83 178.08 2kgl h LYS 183 N 1.20 1.19 -0.91 4.77 1.63 -1.88 0.26 116.57 122.82 2kgl h LYS 183 Ca 0.28 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.05 2kgl h LYS 183 Cb 0.17 -0.27 -0.06 0.00 -0.60 0.00 0.00 32.23 31.47 2kgl h LYS 183 CO -0.03 0.78 0.59 0.93 -3.45 0.00 0.00 179.45 178.27 2kgl h GLU 184 N 1.22 1.10 0.13 1.90 5.08 -1.85 -1.39 114.58 120.77 2kgl h GLU 184 Ca 0.42 -0.07 -0.29 0.00 -1.00 0.00 0.00 59.36 58.42 2kgl h GLU 184 Cb 0.09 -0.25 0.03 0.00 0.50 0.00 0.00 28.75 29.12 2kgl h GLU 184 CO -0.15 0.73 -1.23 -0.44 -1.00 0.00 0.00 179.01 176.92 2kgl h ASP 185 N 1.13 0.85 -0.88 1.42 3.32 -1.27 -3.13 116.42 117.86 2kgl h ASP 185 Ca 0.37 -0.84 0.10 0.00 0.02 0.00 0.00 57.03 56.68 2kgl h ASP 185 Cb 0.03 -0.27 -0.08 0.00 0.22 0.00 0.00 39.33 39.24 2kgl h ASP 185 CO -0.13 1.60 0.52 -1.13 -1.72 0.00 0.00 179.24 178.38 2kgl h ASN 186 N 0.21 0.75 1.20 6.45 -0.00 -0.18 0.13 115.58 124.14 2kgl h ASN 186 Ca -0.19 0.05 -0.01 0.00 -0.00 0.00 0.00 56.30 56.14 2kgl h ASN 186 Cb 1.91 -0.10 -0.00 0.00 -0.00 0.00 0.00 38.32 40.13 2kgl h ASN 186 CO 0.23 0.41 -0.07 0.08 -0.00 0.00 0.00 177.43 178.09 2kgl h ARG 187 N 0.85 0.00 0.07 6.67 0.11 -1.34 -3.32 114.38 117.42 2kgl h ARG 187 Ca 0.43 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.51 2kgl h ARG 187 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2kgl h ARG 187 CO -0.26 0.07 -0.03 0.00 0.10 0.00 0.00 179.97 179.85 2kgl h ALA 188 N 1.93 -1.02 -0.02 0.08 0.00 -0.68 -3.48 119.26 116.07 2kgl h ALA 188 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kgl h ALA 188 Cb 0.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2kgl h ALA 188 CO 0.01 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.65 2kgl n GLY 189 N -1.04 0.98 0.00 0.00 0.00 -1.18 -3.28 105.19 100.66 2kgl n GLY 189 Ca -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N -0.06 1.99 -2.53 1.61 2.88 -1.26 -0.82 113.62 115.43 2kgl n SER 190 Ca 0.00 -1.00 -0.01 0.00 -1.33 0.00 0.00 58.87 56.54 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kgl n ARG 191 N 0.00 -2.87 -2.06 -1.46 0.63 -1.26 -3.84 116.66 105.79 2kgl n ARG 191 Ca 0.00 2.39 -0.19 0.00 -0.92 0.00 0.00 57.85 59.13 2kgl n ARG 191 Cb 0.00 -4.73 -0.04 0.00 0.45 0.00 0.00 32.46 28.14 2kgl n ARG 191 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2kgl n ARG 192 N 0.51 -1.65 0.00 -0.14 0.63 -1.26 -4.77 116.66 109.97 2kgl n ARG 192 Ca 0.01 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 2kgl n ARG 192 Cb 0.04 -5.52 0.00 0.00 0.45 0.00 0.00 32.46 27.42 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kgl n GLU 193 N -2.68 0.00 -3.10 -0.14 1.02 -1.25 -5.10 120.64 109.40 2kgl n GLU 193 Ca -0.21 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.74 2kgl n GLU 193 Cb 0.65 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.09 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kgl n ASP 194 N -2.10 -7.01 0.00 1.62 2.03 0.00 -4.95 116.55 106.13 2kgl n ASP 194 Ca 0.00 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2kgl n ASP 194 Cb 0.00 -3.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 2kgl n ASP 194 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46