#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 7.15 0.06 0.00 -4.77 -1.23 -4.64 116.67 113.24 2kgl s ASP 2 Ca 0.00 2.11 0.07 0.00 -3.30 0.00 0.00 52.55 51.43 2kgl s ASP 2 Cb 0.00 -2.60 -0.03 0.00 -1.09 0.00 0.00 42.92 39.20 2kgl s ASP 2 CO 0.00 -0.34 -0.16 0.28 0.70 0.00 0.00 175.17 175.65 2kgl s THR 3 N 0.20 2.96 0.34 2.11 -1.32 -1.26 -5.10 115.64 113.57 2kgl s THR 3 Ca 0.53 -1.21 -0.06 0.00 -1.21 0.00 0.00 61.69 59.74 2kgl s THR 3 Cb -0.30 -2.29 0.09 0.00 -1.51 0.00 0.00 72.50 68.48 2kgl s THR 3 CO 0.34 0.27 0.30 -0.81 -2.21 0.00 0.00 174.62 172.51 2kgl n PRO 4 N 1.31 -1.62 -3.40 7.08 -0.04 -1.26 -5.04 135.00 132.02 2kgl n PRO 4 Ca -0.16 -0.49 -0.26 0.00 -0.04 0.00 0.00 63.50 62.55 2kgl n PRO 4 Cb 0.52 -0.46 -0.09 0.00 -0.04 0.00 0.00 33.50 33.43 2kgl n PRO 4 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 5 N 0.43 2.79 0.93 0.55 0.00 -1.26 -4.84 105.19 103.78 2kgl n GLY 5 Ca 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 2kgl n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kgl n GLU 6 N 2.17 0.09 -2.26 1.61 0.00 -1.26 -5.00 120.64 115.98 2kgl n GLU 6 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 57.16 57.12 2kgl n GLU 6 Cb 0.47 0.40 0.06 0.00 0.00 0.00 0.00 31.44 32.38 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kgl n ALA 7 N -0.10 0.27 -2.40 4.31 0.00 -1.26 -5.15 120.51 116.18 2kgl n ALA 7 Ca -0.07 -0.60 -0.30 0.00 0.00 0.00 0.00 53.44 52.47 2kgl n ALA 7 Cb 0.43 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N 0.08 2.36 0.96 0.00 -1.32 -1.26 -5.14 115.64 111.32 2kgl s THR 8 Ca 0.07 -1.53 -0.12 0.00 -1.21 0.00 0.00 61.69 58.89 2kgl s THR 8 Cb 0.23 -2.01 0.17 0.00 -1.51 0.00 0.00 72.50 69.38 2kgl s THR 8 CO -0.06 0.21 1.09 -2.16 -2.21 0.00 0.00 174.62 171.49 2kgl s PRO 9 N -1.72 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.79 2kgl s PRO 9 Ca 0.14 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.69 2kgl s PRO 9 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kgl s PRO 9 CO 0.05 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.38 2kgl s PRO 10 N -4.95 0.74 -1.13 0.56 0.04 -1.26 -4.88 135.00 124.11 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 -0.10 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 1.59 -0.08 0.56 -0.04 -1.26 -4.74 135.00 126.96 2kgl n PRO 11 Ca 0.06 -2.39 0.09 0.00 -0.04 0.00 0.00 63.50 61.22 2kgl n PRO 11 Cb 0.56 -3.62 0.45 0.00 -0.04 0.00 0.00 33.50 30.85 2kgl n PRO 11 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2kgl h ARG 12 N 9.46 0.50 0.00 0.54 2.43 -2.03 -3.37 114.38 121.91 2kgl h ARG 12 Ca 0.25 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.33 2kgl h ARG 12 Cb 0.90 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 2kgl h ARG 12 CO 1.32 0.33 -0.13 0.36 -1.51 0.00 0.00 179.97 180.34 2kgl n LYS 13 N -4.47 0.04 0.07 0.20 2.85 -1.26 -4.97 118.16 110.61 2kgl n LYS 13 Ca 0.08 -0.46 -0.03 0.00 -1.05 0.00 0.00 58.31 56.84 2kgl n LYS 13 Cb 0.26 0.48 -0.02 0.00 -0.65 0.00 0.00 35.03 35.10 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2kgl h LYS 14 N 0.03 -0.21 -0.78 -1.58 1.57 -1.84 -3.34 116.57 110.41 2kgl h LYS 14 Ca -0.26 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.42 2kgl h LYS 14 Cb 0.93 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.22 2kgl h LYS 14 CO -0.13 -0.14 0.15 1.17 -0.57 0.00 0.00 179.45 179.92 2kgl n LYS 15 N -3.61 3.37 -0.10 3.15 0.00 -1.26 -3.74 118.16 115.97 2kgl n LYS 15 Ca -0.03 -2.35 -0.21 0.00 0.00 0.00 0.00 58.31 55.72 2kgl n LYS 15 Cb 0.09 -2.03 -0.12 0.00 0.00 0.00 0.00 35.03 32.97 2kgl n LYS 15 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kgl h ASP 16 N 2.35 0.03 -4.93 3.14 3.58 -1.88 -3.51 116.42 115.20 2kgl h ASP 16 Ca 0.14 -0.56 0.01 0.00 0.42 0.00 0.00 57.03 57.04 2kgl h ASP 16 Cb 1.86 -0.01 -0.13 0.00 1.72 0.00 0.00 39.33 42.77 2kgl h ASP 16 CO 0.51 1.48 -1.56 -0.38 -2.88 0.00 0.00 179.24 176.41 2kgl n ILE 17 N -4.39-12.83 -1.68 2.25 -0.00 -1.26 -4.53 119.36 96.91 2kgl n ILE 17 Ca -0.31 2.78 -0.48 0.00 -0.00 0.00 0.00 62.75 64.75 2kgl n ILE 17 Cb 0.69 -6.50 -0.05 0.00 -0.00 0.00 0.00 39.64 33.79 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2kgl n ARG 18 N 1.68 2.21 -1.31 0.38 3.00 -1.26 -0.04 116.66 121.33 2kgl n ARG 18 Ca -0.41 0.81 -0.11 0.00 -0.01 0.00 0.00 57.85 58.14 2kgl n ARG 18 Cb 0.63 -2.66 -0.05 0.00 0.00 0.00 0.00 32.46 30.38 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 6.62 -5.36 -2.94 0.55 -0.08 -1.26 -0.13 116.55 113.95 2kgl n ASP 19 Ca 0.22 0.27 -0.17 0.00 -1.51 0.00 0.00 54.79 53.60 2kgl n ASP 19 Cb 0.30 -3.81 -0.01 0.00 2.34 0.00 0.00 41.12 39.94 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kgl n TYR 20 N -2.33 -1.66 0.00 -0.67 4.19 0.95 -4.11 117.16 113.52 2kgl n TYR 20 Ca -0.11 0.24 0.00 0.00 3.31 0.00 0.00 57.90 61.35 2kgl n TYR 20 Cb 0.53 -2.66 0.00 0.00 0.49 0.00 0.00 39.34 37.70 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2kgl n ASN 21 N -2.02 0.00 0.32 2.98 5.15 -1.02 -4.95 115.26 115.72 2kgl n ASN 21 Ca -0.06 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.12 2kgl n ASN 21 Cb 0.56 0.00 1.07 0.00 -0.53 0.00 0.00 39.78 40.88 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kgl h ASP 22 N 0.00 0.00 -0.05 1.20 1.82 -0.68 -2.82 116.42 115.89 2kgl h ASP 22 Ca 0.00 0.00 0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2kgl h ASP 22 Cb 0.00 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 39.95 2kgl h ASP 22 CO 0.00 0.00 -0.46 0.00 -1.61 0.00 0.00 179.24 177.17 2kgl h ALA 23 N 1.82 -0.74 -0.96 -0.78 0.00 -1.85 -0.37 119.26 116.37 2kgl h ALA 23 Ca 0.01 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.07 2kgl h ALA 23 Cb 0.21 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2kgl h ALA 23 CO -0.00 -1.00 0.61 -0.44 0.00 0.00 0.00 179.25 178.42 2kgl h ASP 24 N -0.58 0.59 -0.29 0.00 3.32 -1.83 -0.57 116.42 117.05 2kgl h ASP 24 Ca 0.05 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2kgl h ASP 24 Cb 0.67 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2kgl h ASP 24 CO -0.37 0.22 0.19 -0.03 -1.72 0.00 0.00 179.24 177.54 2kgl h MET 25 N 0.58 0.39 -1.01 3.56 4.05 -1.22 -2.09 114.93 119.19 2kgl h MET 25 Ca 0.52 -0.03 0.28 0.00 -0.28 0.00 0.00 59.70 60.19 2kgl h MET 25 Cb 1.05 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 31.71 2kgl h MET 25 CO -0.27 0.27 0.70 0.00 0.23 0.00 0.00 176.91 177.85 2kgl h ALA 26 N 1.09 2.70 -0.88 0.39 0.00 -0.25 0.25 119.26 122.57 2kgl h ALA 26 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2kgl h ALA 26 Cb -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2kgl h ALA 26 CO -0.02 -1.02 0.58 -0.09 0.00 0.00 0.00 179.25 178.70 2kgl h ARG 27 N 0.14 1.06 -0.89 0.00 9.65 -1.32 -1.56 114.38 121.46 2kgl h ARG 27 Ca 0.51 -0.06 0.21 0.00 -1.10 0.00 0.00 59.98 59.53 2kgl h ARG 27 Cb 1.74 -0.24 -0.06 0.00 -1.39 0.00 0.00 29.97 30.03 2kgl h ARG 27 CO -0.09 0.70 0.60 1.37 2.80 0.00 0.00 179.97 185.34 2kgl h LEU 28 N 1.09 0.34 -1.41 3.80 8.10 -0.58 0.23 115.31 126.88 2kgl h LEU 28 Ca 0.35 0.04 -0.01 0.00 0.11 0.00 0.00 57.88 58.37 2kgl h LEU 28 Cb 0.04 -0.03 -0.03 0.00 -0.44 0.00 0.00 40.66 40.21 2kgl h LEU 28 CO -0.11 0.13 0.28 0.25 -4.11 0.00 0.00 178.44 174.89 2kgl h LEU 29 N 0.34 0.61 -1.19 0.17 5.85 -1.38 -1.19 115.31 118.51 2kgl h LEU 29 Ca 0.46 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.08 2kgl h LEU 29 Cb 1.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2kgl h LEU 29 CO -0.15 0.49 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.82 2kgl h GLU 30 N 0.70 0.00 -0.80 1.25 5.08 -0.63 -3.11 114.58 117.06 2kgl h GLU 30 Ca 0.18 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.69 2kgl h GLU 30 Cb 0.01 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 2kgl h GLU 30 CO -0.03 0.28 0.36 0.37 -1.00 0.00 0.00 179.01 178.99 2kgl h GLN 31 N 0.00 0.50 -0.93 2.33 4.15 -1.06 0.20 115.11 120.30 2kgl h GLN 31 Ca -0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 2kgl h GLN 31 Cb 0.73 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 2kgl h GLN 31 CO 0.04 0.33 0.60 2.35 -1.93 0.00 0.00 178.83 180.22 2kgl h TRP 32 N 0.51 1.18 -0.28 3.99 7.01 -1.65 0.27 115.95 126.98 2kgl h TRP 32 Ca 0.44 0.02 -0.19 0.00 2.11 0.00 0.00 58.89 61.28 2kgl h TRP 32 Cb 0.67 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 2kgl h TRP 32 CO -0.13 0.75 -0.56 1.49 -2.79 0.00 0.00 178.44 177.20 2kgl h GLU 33 N 1.26 0.87 0.00 2.65 4.81 -1.13 -2.96 114.58 120.09 2kgl h GLU 33 Ca 0.34 -0.56 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2kgl h GLU 33 Cb -0.13 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2kgl h GLU 33 CO -0.07 1.20 -0.00 1.57 -0.73 0.00 0.00 179.01 180.97 2kgl h LYS 34 N 0.67 0.00 -0.98 1.92 5.09 -0.31 -3.04 116.57 119.92 2kgl h LYS 34 Ca 0.01 0.00 0.19 0.00 0.09 0.00 0.00 60.65 60.94 2kgl h LYS 34 Cb 1.17 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.41 2kgl h LYS 34 CO 0.12 0.00 0.61 0.22 -2.09 0.00 0.00 179.45 178.32 2kgl h ASP 35 N 0.00 0.67 0.00 7.07 3.58 -0.77 0.28 116.42 127.26 2kgl h ASP 35 Ca -0.00 0.08 -0.25 0.00 0.42 0.00 0.00 57.03 57.28 2kgl h ASP 35 Cb 0.51 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 2kgl h ASP 35 CO 0.00 0.25 -1.34 -0.67 -2.88 0.00 0.00 179.24 174.60 2kgl n ASP 36 N -4.67 1.87 0.00 2.28 -0.08 -1.16 -4.62 116.55 110.17 2kgl n ASP 36 Ca 0.22 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 2kgl n ASP 36 Cb 0.61 -0.96 0.00 0.00 2.34 0.00 0.00 41.12 43.11 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kgl n ASP 37 N -4.42 0.00 -2.84 1.67 8.00 -1.09 -4.98 116.55 112.89 2kgl n ASP 37 Ca -0.34 0.98 -0.05 0.00 0.71 0.00 0.00 54.79 56.10 2kgl n ASP 37 Cb 0.69 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 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 -1.97-10.17 0.00 0.53 5.41 0.98 -5.01 119.36 109.13 2kgl n ILE 38 Ca 0.00 0.43 0.00 0.00 1.00 0.00 0.00 62.75 64.18 2kgl n ILE 38 Cb 0.00 -6.95 0.00 0.00 -0.71 0.00 0.00 39.64 31.98 2kgl n ILE 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kgl n GLU 39 N -0.86 0.00 -1.30 0.38 -0.58 -1.26 -5.09 120.64 111.93 2kgl n GLU 39 Ca 0.07 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2kgl n GLU 39 Cb 0.46 -0.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2kgl n GLU 40 N -1.24 0.00 0.00 3.49 4.07 -1.26 -5.07 120.64 120.62 2kgl n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2kgl n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kgl n GLY 41 N 0.00 0.61 2.48 8.31 0.00 -1.23 -4.31 105.19 111.04 2kgl n GLY 41 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.97 -4.71 1.61 2.03 -1.26 -4.65 116.55 108.60 2kgl n ASP 42 Ca 0.00 -3.31 -0.31 0.00 0.52 0.00 0.00 54.79 51.70 2kgl n ASP 42 Cb 0.00 0.71 0.14 0.00 -0.72 0.00 0.00 41.12 41.25 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 -2.06 2.81 0.30 -2.67 1.02 -1.26 -4.94 118.68 111.88 2kgl s LEU 43 Ca 0.31 1.97 0.09 0.00 0.02 0.00 0.00 54.13 56.52 2kgl s LEU 43 Cb 0.29 -4.47 0.47 0.00 0.02 0.00 0.00 46.19 42.51 2kgl s LEU 43 CO -0.09 -2.69 1.69 1.55 0.02 0.00 0.00 176.35 176.84 2kgl h PRO 44 N -1.58 0.12 -5.16 1.29 0.13 -2.01 -3.49 132.00 121.30 2kgl h PRO 44 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kgl h PRO 44 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kgl h PRO 44 CO 0.47 0.57 -0.24 0.39 -0.23 0.00 0.00 178.00 178.96 2kgl n GLU 45 N -3.97 -1.74 -0.21 0.86 1.02 -1.26 -4.93 120.64 110.42 2kgl n GLU 45 Ca -0.02 1.73 -0.09 0.00 -0.02 0.00 0.00 57.16 58.76 2kgl n GLU 45 Cb 0.51 -5.44 0.02 0.00 -0.02 0.00 0.00 31.44 26.52 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kgl h HIS 46 N 1.16 1.18 0.00 -0.32 2.07 -1.97 -3.47 115.15 113.80 2kgl h HIS 46 Ca 0.00 -0.22 0.00 0.00 -2.85 0.00 0.00 60.37 57.30 2kgl h HIS 46 Cb 0.96 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 30.64 2kgl h HIS 46 CO 0.14 1.05 0.00 1.17 -3.07 0.00 0.00 177.93 177.22 2kgl n LYS 47 N -4.17 0.00 -2.98 5.12 4.81 -1.26 -5.08 118.16 114.61 2kgl n LYS 47 Ca 0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.43 2kgl n LYS 47 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2kgl n ARG 48 N -2.61 -1.73 -2.16 1.64 3.00 -1.26 -4.74 116.66 108.79 2kgl n ARG 48 Ca 0.00 1.74 -0.42 0.00 -0.00 0.00 0.00 57.85 59.17 2kgl n ARG 48 Cb 0.00 -5.73 -0.03 0.00 0.00 0.00 0.00 32.46 26.70 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 -2.85 4.23 0.27 -0.14 0.04 -1.26 -4.98 135.00 130.31 2kgl s PRO 49 Ca 0.10 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.25 2kgl s PRO 49 Cb -0.03 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2kgl s PRO 49 CO 0.76 -0.70 -0.03 -1.54 0.04 0.00 0.00 177.00 175.53 2kgl s SER 50 N 2.42 4.41 0.09 6.66 1.04 -1.26 -5.13 113.70 121.92 2kgl s SER 50 Ca 0.66 -0.70 -0.06 0.00 0.48 0.00 0.00 55.95 56.33 2kgl s SER 50 Cb -0.31 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.03 2kgl s SER 50 CO 0.26 0.00 0.14 0.00 0.98 0.00 0.00 173.24 174.62 2kgl s ALA 51 N -2.35 0.01 -1.12 5.32 0.00 -1.26 -4.54 121.76 117.82 2kgl s ALA 51 Ca 0.31 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 2kgl s ALA 51 Cb -0.06 0.47 -0.10 0.00 0.00 0.00 0.00 23.12 23.43 2kgl s ALA 51 CO 0.19 -0.48 1.93 -0.35 0.00 0.00 0.00 175.76 177.05 2kgl n PRO 52 N -0.03 1.57 -2.83 0.00 -0.04 -1.26 -4.76 135.00 127.65 2kgl n PRO 52 Ca -0.14 -2.37 -0.31 0.00 -0.04 0.00 0.00 63.50 60.64 2kgl n PRO 52 Cb 0.62 -3.61 -0.02 0.00 -0.04 0.00 0.00 33.50 30.45 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 7.56 3.89 -4.39 0.52 -5.35 -1.26 -4.96 119.36 115.37 2kgl n ILE 53 Ca 0.46 -5.66 -0.30 0.00 -0.27 0.00 0.00 62.75 56.97 2kgl n ILE 53 Cb 0.46 -1.43 -0.05 0.00 -1.74 0.00 0.00 39.64 36.87 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 -2.87 4.34 -0.22 7.28 -4.77 -1.26 -4.90 116.67 114.26 2kgl s ASP 54 Ca 0.46 -1.48 -0.12 0.00 -3.30 0.00 0.00 52.55 48.11 2kgl s ASP 54 Cb 0.26 0.46 -0.18 0.00 -1.09 0.00 0.00 42.92 42.37 2kgl s ASP 54 CO -0.14 -0.95 -0.02 0.49 0.70 0.00 0.00 175.17 175.24 2kgl n PHE 55 N -1.47 0.55 -3.13 2.11 3.01 -1.26 -5.06 117.46 112.22 2kgl n PHE 55 Ca -0.12 0.19 -0.21 0.00 1.01 0.00 0.00 57.45 58.32 2kgl n PHE 55 Cb 0.66 -1.06 0.02 0.00 -0.01 0.00 0.00 39.48 39.09 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2kgl n SER 56 N -4.00 -6.93 -1.52 4.37 2.88 -1.20 -4.96 113.62 102.26 2kgl n SER 56 Ca -0.42 0.23 0.04 0.00 -1.33 0.00 0.00 58.87 57.39 2kgl n SER 56 Cb 0.87 -3.84 0.04 0.00 -0.75 0.00 0.00 64.21 60.53 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 -0.29 0.38 0.00 -1.46 3.00 -1.26 -4.94 118.16 113.59 2kgl n LYS 57 Ca 0.03 -2.31 0.00 0.00 -0.00 0.00 0.00 58.31 56.03 2kgl n LYS 57 Cb 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 35.03 35.23 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kgl n LEU 58 N 0.20 0.68 -4.73 3.14 7.99 -1.26 -5.02 117.00 118.01 2kgl n LEU 58 Ca 0.08 0.14 -0.23 0.00 -0.01 0.00 0.00 56.01 55.99 2kgl n LEU 58 Cb 1.06 -0.27 -0.06 0.00 -0.11 0.00 0.00 43.42 44.04 2kgl n LEU 58 CO -0.02 -0.27 -0.25 -1.81 -1.51 0.00 0.00 177.39 173.52 2kgl s ASP 59 N -2.36 4.94 -1.13 -1.43 1.11 -1.26 -5.03 116.67 111.52 2kgl s ASP 59 Ca 0.00 -0.50 -0.23 0.00 0.18 0.00 0.00 52.55 52.00 2kgl s ASP 59 Cb 0.00 -1.05 -0.10 0.00 1.07 0.00 0.00 42.92 42.84 2kgl s ASP 59 CO 0.00 -0.05 1.93 -0.81 1.18 0.00 0.00 175.17 177.42 2kgl n PRO 60 N -1.04 1.59 0.00 8.23 -0.04 -1.26 -4.71 135.00 137.77 2kgl n PRO 60 Ca -0.07 -2.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 2kgl n PRO 60 Cb 0.59 -3.62 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 5.62 0.75 3.47 0.55 0.00 -1.26 -5.02 105.19 109.31 2kgl n GLY 61 Ca 0.46 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2kgl n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 62 N 0.00 1.06 0.75 1.61 0.00 -1.26 -4.99 119.74 116.91 2kgl s LYS 62 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 55.97 55.61 2kgl s LYS 62 Cb 0.00 0.49 0.04 0.00 0.00 0.00 0.00 37.83 38.37 2kgl s LYS 62 CO 0.00 -0.44 1.10 -1.25 0.00 0.00 0.00 175.35 174.76 2kgl s PRO 63 N -2.92 2.37 0.40 1.78 0.04 -1.26 -4.96 135.00 130.45 2kgl s PRO 63 Ca -0.00 1.22 0.21 0.00 0.04 0.00 0.00 61.00 62.47 2kgl s PRO 63 Cb -0.01 -1.91 0.27 0.00 0.04 0.00 0.00 34.50 32.89 2kgl s PRO 63 CO -0.07 -1.56 1.57 0.93 0.04 0.00 0.00 177.00 177.91 2kgl h GLU 64 N -0.87 0.00 -0.24 4.56 5.08 -2.02 -3.24 114.58 117.85 2kgl h GLU 64 Ca -0.44 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.99 2kgl h GLU 64 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2kgl h GLU 64 CO 0.52 0.14 0.26 0.66 -1.00 0.00 0.00 179.01 179.59 2kgl h SER 65 N 0.00 0.00 0.76 1.42 4.64 -1.95 0.24 113.55 118.67 2kgl h SER 65 Ca -0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2kgl h SER 65 Cb 1.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2kgl h SER 65 CO 0.02 0.00 -0.24 0.40 -0.87 0.00 0.00 176.83 176.14 2kgl h ILE 66 N 0.00 0.65 -0.75 0.95 2.04 -1.96 -2.97 117.51 115.48 2kgl h ILE 66 Ca 0.12 -1.09 0.13 0.00 1.00 0.00 0.00 64.86 65.02 2kgl h ILE 66 Cb 0.64 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 2kgl h ILE 66 CO -0.00 0.24 0.50 -0.07 0.00 0.00 0.00 178.15 178.81 2kgl h LEU 67 N 0.00 0.45 -1.81 1.44 3.38 -0.73 0.81 115.31 118.85 2kgl h LEU 67 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kgl h LEU 67 Cb 0.69 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2kgl h LEU 67 CO 0.03 0.25 0.13 0.50 0.09 0.00 0.00 178.44 179.44 2kgl h LYS 68 N 0.49 0.25 0.00 1.13 1.63 -1.63 -0.25 116.57 118.19 2kgl h LYS 68 Ca 0.36 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 60.15 2kgl h LYS 68 Cb 0.72 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2kgl h LYS 68 CO -0.12 0.17 -0.00 1.98 -3.45 0.00 0.00 179.45 178.02 2kgl h MET 69 N 0.26 0.00 -6.73 1.90 4.05 -1.01 -3.40 114.93 110.00 2kgl h MET 69 Ca 0.07 0.00 -0.55 0.00 -0.28 0.00 0.00 59.70 58.94 2kgl h MET 69 Cb -0.02 0.00 -0.29 0.00 -0.80 0.00 0.00 31.60 30.49 2kgl h MET 69 CO -0.02 0.00 -0.81 -2.37 0.23 0.00 0.00 176.91 173.94 2kgl n THR 70 N -3.11 -0.30 -2.27 -0.77 5.66 -0.21 -3.43 114.28 109.86 2kgl n THR 70 Ca -0.03 -0.15 -0.03 0.00 -3.05 0.00 0.00 64.05 60.80 2kgl n THR 70 Cb 0.08 -0.59 -0.02 0.00 -1.55 0.00 0.00 70.33 68.25 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2kgl n LYS 71 N -3.80 -4.06 0.09 1.09 4.81 -1.26 -4.32 118.16 110.71 2kgl n LYS 71 Ca -0.03 3.09 -0.06 0.00 -0.87 0.00 0.00 58.31 60.44 2kgl n LYS 71 Cb 0.47 -4.21 -0.04 0.00 0.02 0.00 0.00 35.03 31.27 2kgl n LYS 71 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kgl h LYS 72 N 3.46 -0.32 0.00 1.64 3.11 -1.94 -3.48 116.57 119.03 2kgl h LYS 72 Ca -0.26 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.61 2kgl h LYS 72 Cb 0.58 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 2kgl h LYS 72 CO 0.00 -0.22 0.00 0.41 -2.81 0.00 0.00 179.45 176.84 2kgl n GLY 73 N -1.19 3.06 3.26 5.01 0.00 -1.26 -5.09 105.19 108.97 2kgl n GLY 73 Ca -0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 2kgl n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kgl s LYS 74 N 0.00 0.44 1.24 1.61 2.47 -1.26 -0.07 119.74 124.17 2kgl s LYS 74 Ca 0.00 0.47 -0.19 0.00 -1.56 0.00 0.00 55.97 54.69 2kgl s LYS 74 Cb 0.00 0.21 0.30 0.00 -1.46 0.00 0.00 37.83 36.88 2kgl s LYS 74 CO 0.00 -0.06 1.07 0.95 0.16 0.00 0.00 175.35 177.47 2kgl s THR 75 N 0.12 1.54 -0.02 3.43 -4.23 -1.07 -4.86 115.64 110.56 2kgl s THR 75 Ca -0.01 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 2kgl s THR 75 Cb -0.03 -2.38 -0.01 0.00 1.34 0.00 0.00 72.50 71.42 2kgl s THR 75 CO 0.01 0.00 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.67 2kgl s LEU 76 N -7.14 2.04 -0.24 4.79 1.98 -1.26 -4.64 118.68 114.20 2kgl s LEU 76 Ca 0.70 -0.35 -0.08 0.00 -2.89 0.00 0.00 54.13 51.51 2kgl s LEU 76 Cb -0.11 -1.01 0.11 0.00 0.66 0.00 0.00 46.19 45.84 2kgl s LEU 76 CO 0.57 0.24 0.52 0.00 -1.89 0.00 0.00 176.35 175.78 2kgl s MET 77 N -0.45 0.43 -0.06 1.98 0.23 -1.19 -3.17 119.30 117.07 2kgl s MET 77 Ca 0.07 1.21 -0.11 0.00 -1.03 0.00 0.00 55.69 55.83 2kgl s MET 77 Cb -0.08 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.80 2kgl s MET 77 CO -0.01 -0.24 0.27 -1.64 -2.03 0.00 0.00 175.02 171.37 2kgl s MET 78 N 2.73 0.47 -0.13 3.16 -1.94 -0.88 -0.74 119.30 121.98 2kgl s MET 78 Ca -0.03 0.07 -0.05 0.00 -1.71 0.00 0.00 55.69 53.97 2kgl s MET 78 Cb -0.12 0.21 0.07 0.00 2.01 0.00 0.00 34.83 37.00 2kgl s MET 78 CO -0.15 -0.10 0.26 -0.06 -0.01 0.00 0.00 175.02 174.95 2kgl s PHE 79 N -0.60 -0.41 -0.01 -0.03 0.40 0.87 -2.17 117.98 116.03 2kgl s PHE 79 Ca -0.07 0.93 -0.03 0.00 -0.60 0.00 0.00 56.93 57.16 2kgl s PHE 79 Cb -0.04 -0.06 0.00 0.00 0.51 0.00 0.00 43.02 43.43 2kgl s PHE 79 CO 0.02 -0.36 0.07 0.54 0.70 0.00 0.00 175.22 176.19 2kgl s VAL 80 N 2.41 0.04 -0.46 -0.44 0.11 -1.16 -1.44 120.40 119.46 2kgl s VAL 80 Ca 0.02 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2kgl s VAL 80 Cb -0.12 -0.23 0.16 0.00 -1.53 0.00 0.00 36.38 34.66 2kgl s VAL 80 CO -0.09 -0.20 0.35 0.28 -3.33 0.00 0.00 175.10 172.11 2kgl s THR 81 N -0.62 0.85 -0.22 5.04 -1.32 0.64 -2.55 115.64 117.45 2kgl s THR 81 Ca -0.07 -2.83 -0.33 0.00 -1.21 0.00 0.00 61.69 57.25 2kgl s THR 81 Cb -0.04 -1.59 0.15 0.00 -1.51 0.00 0.00 72.50 69.51 2kgl s THR 81 CO 0.00 -1.14 1.22 0.54 -2.21 0.00 0.00 174.62 173.03 2kgl s VAL 82 N -0.07 0.00 -0.27 5.08 0.11 0.88 -1.95 120.40 124.18 2kgl s VAL 82 Ca 0.29 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.05 2kgl s VAL 82 Cb -0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 2kgl s VAL 82 CO -0.15 0.00 1.66 -0.55 -3.33 0.00 0.00 175.10 172.73 2kgl s SER 83 N -1.67 6.22 0.13 3.54 0.15 -1.26 -3.20 113.70 117.61 2kgl s SER 83 Ca 0.08 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.20 2kgl s SER 83 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2kgl s SER 83 CO -0.05 -1.41 0.00 0.61 1.20 0.00 0.00 173.24 173.59 2kgl n GLY 84 N 4.94 -2.90 0.00 9.45 0.00 -1.26 -4.66 105.19 110.76 2kgl n GLY 84 Ca 0.20 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -2.18 0.00 -4.24 1.61 4.05 -1.26 -4.80 115.26 108.44 2kgl n ASN 85 Ca -0.01 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.68 2kgl n ASN 85 Cb 0.13 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.08 2kgl n ASN 85 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2kgl n PRO 86 N -0.02 1.54 -0.38 1.20 -0.04 -1.26 -4.11 135.00 131.93 2kgl n PRO 86 Ca 0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 63.50 61.23 2kgl n PRO 86 Cb 0.00 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.02 2kgl n PRO 86 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kgl n THR 87 N 7.18 0.00 0.01 0.52 -2.24 -1.26 -4.89 114.28 113.60 2kgl n THR 87 Ca 0.47 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.24 2kgl n THR 87 Cb 0.44 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2kgl n THR 87 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kgl h GLU 88 N 0.00 -0.03 -0.28 -0.78 4.81 -1.91 0.25 114.58 116.64 2kgl h GLU 88 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2kgl h GLU 88 Cb 1.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2kgl h GLU 88 CO 0.00 -0.02 0.31 -0.22 -0.73 0.00 0.00 179.01 178.35 2kgl h LYS 89 N -0.03 0.00 -0.15 1.92 3.11 -1.96 -0.90 116.57 118.55 2kgl h LYS 89 Ca -0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 2kgl h LYS 89 Cb 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.26 2kgl h LYS 89 CO -0.01 0.00 -0.17 0.93 -2.81 0.00 0.00 179.45 177.39 2kgl h GLU 90 N 0.00 0.39 -0.86 1.90 3.07 -1.66 -3.11 114.58 114.30 2kgl h GLU 90 Ca 0.13 -0.21 0.13 0.00 -0.50 0.00 0.00 59.36 58.91 2kgl h GLU 90 Cb 0.75 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 28.59 2kgl h GLU 90 CO -0.00 0.77 0.47 1.79 -1.40 0.00 0.00 179.01 180.65 2kgl h THR 91 N 0.02 0.82 0.00 1.13 1.35 0.92 0.15 112.91 117.29 2kgl h THR 91 Ca 0.02 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 2kgl h THR 91 Cb 0.71 0.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.15 2kgl h THR 91 CO 0.04 0.13 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.99 2kgl h GLU 92 N 0.73 0.00 0.00 4.72 5.08 -1.52 -1.59 114.58 122.00 2kgl h GLU 92 Ca 0.44 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.70 2kgl h GLU 92 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2kgl h GLU 92 CO -0.31 0.12 -0.55 1.49 -1.00 0.00 0.00 179.01 178.76 2kgl h GLU 93 N 0.00 0.00 -0.90 2.33 4.57 -0.69 -3.28 114.58 116.61 2kgl h GLU 93 Ca -0.00 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 58.43 2kgl h GLU 93 Cb 0.22 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 2kgl h GLU 93 CO 0.02 0.43 0.64 0.82 -1.18 0.00 0.00 179.01 179.73 2kgl h ILE 94 N 0.00 0.57 -0.39 2.32 1.08 -0.15 0.27 117.51 121.21 2kgl h ILE 94 Ca -0.02 -0.02 -0.10 0.00 -0.39 0.00 0.00 64.86 64.32 2kgl h ILE 94 Cb 1.36 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 2kgl h ILE 94 CO 0.06 0.01 -0.19 0.00 -0.69 0.00 0.00 178.15 177.34 2kgl h THR 95 N 0.06 1.27 -0.12 -0.27 1.03 -1.67 0.28 112.91 113.49 2kgl h THR 95 Ca 0.43 -1.27 -0.06 0.00 -0.01 0.00 0.00 66.41 65.50 2kgl h THR 95 Cb 1.63 1.17 -0.00 0.00 -1.07 0.00 0.00 68.15 69.88 2kgl h THR 95 CO -0.04 0.42 -0.17 -1.28 -0.01 0.00 0.00 175.52 174.45 2kgl h SER 96 N 0.65 0.35 -0.17 0.00 0.87 -0.70 -3.18 113.55 111.38 2kgl h SER 96 Ca 0.10 -0.52 -0.16 0.00 -1.23 0.00 0.00 61.79 59.97 2kgl h SER 96 Cb 0.68 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 2kgl h SER 96 CO 0.05 0.81 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.61 2kgl h LEU 97 N -0.09 0.80 -1.79 2.23 3.38 -1.37 -3.00 115.31 115.47 2kgl h LEU 97 Ca 0.01 -0.40 0.22 0.00 0.09 0.00 0.00 57.88 57.80 2kgl h LEU 97 Cb 0.73 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2kgl h LEU 97 CO 0.04 1.15 0.58 -0.25 0.09 0.00 0.00 178.44 180.05 2kgl h TRP 98 N 0.58 0.23 -0.88 1.13 7.01 -0.46 -0.11 115.95 123.45 2kgl h TRP 98 Ca 0.03 0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.20 2kgl h TRP 98 Cb 1.05 -0.07 -0.10 0.00 -2.10 0.00 0.00 29.16 27.94 2kgl h TRP 98 CO 0.05 0.06 0.46 1.96 -2.79 0.00 0.00 178.44 178.19 2kgl h GLN 99 N 0.18 0.61 0.20 2.65 4.20 -1.50 0.26 115.11 121.72 2kgl h GLN 99 Ca 0.42 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 2kgl h GLN 99 Cb 1.36 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2kgl h GLN 99 CO -0.08 0.41 -0.10 0.78 -0.67 0.00 0.00 178.83 179.17 2kgl h GLY 100 N 0.63 -0.28 0.68 3.46 0.00 -1.19 -3.25 103.07 103.11 2kgl h GLY 100 Ca 0.49 0.11 0.10 0.00 0.00 0.00 0.00 47.33 48.03 2kgl h GLY 100 CO -0.38 -0.10 0.60 1.76 0.00 0.00 0.00 176.54 178.41 2kgl h SER 101 N -0.81 0.85 -0.89 0.19 0.02 -1.41 -0.58 113.55 110.92 2kgl h SER 101 Ca -0.03 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 2kgl h SER 101 Cb 0.51 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 2kgl h SER 101 CO 0.05 0.50 0.60 0.25 -1.14 0.00 0.00 176.83 177.09 2kgl h LEU 102 N 0.94 0.29 -1.97 5.07 6.46 -0.52 0.24 115.31 125.82 2kgl h LEU 102 Ca 0.43 0.03 0.15 0.00 -0.12 0.00 0.00 57.88 58.38 2kgl h LEU 102 Cb 0.40 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2kgl h LEU 102 CO -0.19 0.11 0.39 0.15 -0.62 0.00 0.00 178.44 178.28 2kgl h PHE 103 N 0.29 0.03 0.00 1.25 3.04 -1.15 0.24 116.94 120.65 2kgl h PHE 103 Ca 0.46 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.40 2kgl h PHE 103 Cb 1.31 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.81 2kgl h PHE 103 CO -0.00 0.01 -0.03 -0.91 -2.02 0.00 0.00 178.31 175.36 2kgl h ASN 104 N 0.03 0.00 -1.34 0.41 4.21 -0.65 -3.46 115.58 114.78 2kgl h ASN 104 Ca 0.26 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.43 2kgl h ASN 104 Cb 0.99 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.10 2kgl h ASN 104 CO -0.01 0.03 -0.35 0.00 -1.29 0.00 0.00 177.43 175.81 2kgl n ALA 105 N -2.22 -0.34 -2.13 -0.83 0.00 0.85 -3.23 120.51 112.61 2kgl n ALA 105 Ca -0.02 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 2kgl n ALA 105 Cb 0.14 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.88 -0.00 -4.47 0.00 2.85 -1.26 -4.31 115.26 107.19 2kgl n ASN 106 Ca -0.18 -1.77 -0.32 0.00 -0.11 0.00 0.00 54.58 52.20 2kgl n ASN 106 Cb 0.59 -0.05 0.14 0.00 1.24 0.00 0.00 39.78 41.70 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 0.13 -0.89 -3.66 1.20 9.36 -1.26 -2.95 117.16 119.10 2kgl n TYR 107 Ca -0.06 0.26 -0.11 0.00 3.32 0.00 0.00 57.90 61.31 2kgl n TYR 107 Cb 0.77 -1.82 -0.11 0.00 -0.63 0.00 0.00 39.34 37.55 2kgl n TYR 107 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kgl s ASP 108 N -2.17 -0.04 -0.21 2.98 1.11 -1.16 -4.77 116.67 112.42 2kgl s ASP 108 Ca 0.60 0.82 -0.17 0.00 0.18 0.00 0.00 52.55 53.98 2kgl s ASP 108 Cb -0.21 1.05 0.06 0.00 1.07 0.00 0.00 42.92 44.88 2kgl s ASP 108 CO 0.65 -0.23 0.54 0.54 1.18 0.00 0.00 175.17 177.85 2kgl s VAL 109 N 2.44 -0.00 0.01 -1.27 0.11 -1.26 -2.10 120.40 118.33 2kgl s VAL 109 Ca -0.01 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 2kgl s VAL 109 Cb -0.12 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2kgl s VAL 109 CO -0.11 0.01 -0.14 -1.58 -3.33 0.00 0.00 175.10 169.95 2kgl s GLN 110 N 0.62 1.03 -0.16 1.54 0.74 -0.84 -4.70 119.66 117.90 2kgl s GLN 110 Ca -0.03 -0.59 0.01 0.00 0.05 0.00 0.00 55.36 54.79 2kgl s GLN 110 Cb -0.05 -1.02 0.02 0.00 1.10 0.00 0.00 33.01 33.07 2kgl s GLN 110 CO -0.04 0.27 -0.16 -0.98 -0.55 0.00 0.00 175.29 173.83 2kgl s ARG 111 N -0.65 2.50 -0.05 1.67 1.70 -1.24 -3.09 118.95 119.80 2kgl s ARG 111 Ca 0.04 -0.64 0.02 0.00 -0.47 0.00 0.00 55.73 54.68 2kgl s ARG 111 Cb -0.06 -2.24 0.01 0.00 -0.57 0.00 0.00 34.95 32.09 2kgl s ARG 111 CO 0.00 -0.23 -0.09 -0.06 -1.08 0.00 0.00 175.30 173.85 2kgl s PHE 112 N 1.43 1.07 -0.09 5.89 0.40 -1.17 -4.71 117.98 120.80 2kgl s PHE 112 Ca 0.05 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 2kgl s PHE 112 Cb -0.13 -0.82 0.02 0.00 0.51 0.00 0.00 43.02 42.60 2kgl s PHE 112 CO -0.11 -0.20 -0.08 0.96 0.70 0.00 0.00 175.22 176.49 2kgl s ILE 113 N 0.65 0.95 -0.05 0.64 -4.36 -1.26 -3.03 121.20 114.75 2kgl s ILE 113 Ca -0.11 -0.28 -0.09 0.00 -0.26 0.00 0.00 60.65 59.91 2kgl s ILE 113 Cb -0.14 -0.95 0.02 0.00 1.25 0.00 0.00 42.46 42.64 2kgl s ILE 113 CO 0.02 0.34 0.22 -0.69 0.24 0.00 0.00 174.94 175.06 2kgl s VAL 114 N 1.39 0.04 0.59 8.37 1.01 -0.94 -5.02 120.40 125.83 2kgl s VAL 114 Ca -0.02 -0.30 0.29 0.00 0.00 0.00 0.00 61.98 61.95 2kgl s VAL 114 Cb -0.14 -0.41 0.37 0.00 0.00 0.00 0.00 36.38 36.20 2kgl s VAL 114 CO -0.04 -0.17 1.98 1.23 0.00 0.00 0.00 175.10 178.11 2kgl h GLY 115 N 4.97 0.00 0.86 4.51 0.00 -2.05 -0.88 103.07 110.47 2kgl h GLY 115 Ca -0.28 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 2kgl h GLY 115 CO 0.38 0.00 -0.70 1.48 0.00 0.00 0.00 176.54 177.70 2kgl h SER 116 N 0.00 0.60 -5.51 0.19 4.64 -2.04 -3.49 113.55 107.94 2kgl h SER 116 Ca 0.15 -0.77 0.29 0.00 -0.47 0.00 0.00 61.79 60.99 2kgl h SER 116 Cb 0.86 -0.18 -0.12 0.00 -0.31 0.00 0.00 62.40 62.65 2kgl h SER 116 CO -0.00 1.29 0.76 1.51 -0.87 0.00 0.00 176.83 179.52 2kgl s ASP 117 N -6.87 -0.09 -0.05 4.97 1.47 -0.34 -4.72 116.67 111.04 2kgl s ASP 117 Ca -0.13 -0.16 0.02 0.00 1.18 0.00 0.00 52.55 53.46 2kgl s ASP 117 Cb 0.04 0.22 0.01 0.00 -0.34 0.00 0.00 42.92 42.85 2kgl s ASP 117 CO 0.84 -0.40 -0.11 -0.13 0.68 0.00 0.00 175.17 176.05 2kgl s ARG 118 N -2.59 1.46 -0.11 2.11 3.00 -1.20 -2.22 118.95 119.41 2kgl s ARG 118 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 55.73 55.48 2kgl s ARG 118 Cb 0.03 -1.25 0.02 0.00 0.00 0.00 0.00 34.95 33.75 2kgl s ARG 118 CO -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 175.30 175.25 2kgl s ALA 119 N 0.55 1.30 -0.05 2.13 0.00 -1.17 -0.08 121.76 124.44 2kgl s ALA 119 Ca -0.11 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.33 2kgl s ALA 119 Cb -0.14 -0.90 0.02 0.00 0.00 0.00 0.00 23.12 22.10 2kgl s ALA 119 CO 0.03 -0.41 -0.04 -1.50 0.00 0.00 0.00 175.76 173.83 2kgl s ILE 120 N 1.71 0.54 0.01 0.00 2.07 -1.06 -3.02 121.20 121.45 2kgl s ILE 120 Ca 0.05 -0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.24 2kgl s ILE 120 Cb -0.13 -0.59 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 2kgl s ILE 120 CO -0.08 0.24 -0.14 0.72 -1.91 0.00 0.00 174.94 173.77 2kgl s PHE 121 N 1.12 1.23 -0.18 3.50 -0.12 -1.18 -3.00 117.98 119.36 2kgl s PHE 121 Ca -0.08 -0.28 -0.06 0.00 -0.05 0.00 0.00 56.93 56.46 2kgl s PHE 121 Cb -0.14 -0.77 0.08 0.00 -0.63 0.00 0.00 43.02 41.57 2kgl s PHE 121 CO -0.01 0.00 0.37 0.00 -0.05 0.00 0.00 175.22 175.53 2kgl s MET 122 N -0.65 0.27 0.00 1.99 0.23 -0.92 -1.99 119.30 118.23 2kgl s MET 122 Ca 0.04 0.94 0.02 0.00 -1.03 0.00 0.00 55.69 55.66 2kgl s MET 122 Cb -0.06 0.21 -0.01 0.00 -1.53 0.00 0.00 34.83 33.44 2kgl s MET 122 CO 0.00 -0.27 -0.07 -1.17 -2.03 0.00 0.00 175.02 171.49 2kgl s LEU 123 N 2.55 2.05 0.47 0.18 2.96 -0.89 -2.08 118.68 123.92 2kgl s LEU 123 Ca -0.01 -0.18 0.22 0.00 -0.22 0.00 0.00 54.13 53.94 2kgl s LEU 123 Cb -0.12 -0.32 1.23 0.00 0.50 0.00 0.00 46.19 47.47 2kgl s LEU 123 CO -0.11 0.04 1.90 0.08 -1.32 0.00 0.00 176.35 176.94 2kgl h ARG 124 N 5.77 0.23 0.00 1.98 0.11 -1.85 -3.14 114.38 117.48 2kgl h ARG 124 Ca -0.30 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 59.45 2kgl h ARG 124 Cb 1.19 -0.05 0.10 0.00 1.11 0.00 0.00 29.97 32.32 2kgl h ARG 124 CO 0.49 0.15 0.21 -0.25 0.10 0.00 0.00 179.97 180.68 2kgl n ASP 125 N -4.42 0.42 0.00 0.08 9.92 -1.26 -4.10 116.55 117.18 2kgl n ASP 125 Ca 0.16 -1.52 0.00 0.00 -0.53 0.00 0.00 54.79 52.90 2kgl n ASP 125 Cb 0.70 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgl n GLY 126 N -0.89 -0.00 0.21 0.44 0.00 -1.15 -2.98 105.19 100.81 2kgl n GLY 126 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2kgl n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 127 N 0.00 -0.08 -0.95 1.61 0.02 -1.96 0.27 113.55 112.46 2kgl h SER 127 Ca 0.00 0.11 0.19 0.00 -0.84 0.00 0.00 61.79 61.25 2kgl h SER 127 Cb 0.00 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.63 2kgl h SER 127 CO 0.00 -0.02 0.61 1.88 -1.14 0.00 0.00 176.83 178.16 2kgl h TYR 128 N 0.20 0.78 -0.07 3.45 -1.99 -1.98 0.25 116.97 117.62 2kgl h TYR 128 Ca 0.28 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.92 2kgl h TYR 128 Cb 0.42 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.89 2kgl h TYR 128 CO -0.27 0.20 -0.49 0.00 -0.00 0.00 0.00 178.16 177.61 2kgl h ALA 129 N 1.62 1.05 -0.44 3.88 0.00 -1.20 -2.73 119.26 121.44 2kgl h ALA 129 Ca 0.51 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2kgl h ALA 129 Cb 1.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kgl h ALA 129 CO -0.26 0.64 -0.29 -1.49 0.00 0.00 0.00 179.25 177.85 2kgl h TRP 130 N 0.14 1.14 -0.23 0.00 -0.00 -0.02 -0.21 115.95 116.78 2kgl h TRP 130 Ca 0.01 -0.31 -0.03 0.00 -0.00 0.00 0.00 58.89 58.56 2kgl h TRP 130 Cb 0.91 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 29.81 2kgl h TRP 130 CO 0.01 1.14 0.04 1.49 -0.00 0.00 0.00 178.44 181.12 2kgl h GLU 131 N 0.82 0.38 0.00 0.49 4.81 -1.25 -2.91 114.58 116.91 2kgl h GLU 131 Ca 0.09 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 2kgl h GLU 131 Cb 0.88 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2kgl h GLU 131 CO 0.08 0.51 -0.49 0.82 -0.73 0.00 0.00 179.01 179.20 2kgl h ILE 132 N 0.18 1.35 0.16 2.32 1.08 -1.48 -3.13 117.51 118.00 2kgl h ILE 132 Ca 0.07 -1.67 -0.00 0.00 -0.39 0.00 0.00 64.86 62.87 2kgl h ILE 132 Cb 0.31 1.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.95 2kgl h ILE 132 CO 0.00 0.48 -0.24 0.50 -0.69 0.00 0.00 178.15 178.20 2kgl h LYS 133 N 0.00 -0.40 -0.89 2.37 3.11 -0.83 0.26 116.57 120.19 2kgl h LYS 133 Ca -0.00 0.03 0.17 0.00 -2.81 0.00 0.00 60.65 58.03 2kgl h LYS 133 Cb 0.86 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 32.11 2kgl h LYS 133 CO 0.06 -0.27 0.58 0.22 -2.81 0.00 0.00 179.45 177.24 2kgl h ASP 134 N -0.41 0.54 0.39 4.20 1.82 -1.61 0.25 116.42 121.59 2kgl h ASP 134 Ca -0.02 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.58 2kgl h ASP 134 Cb 0.38 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2kgl h ASP 134 CO -0.07 0.24 -0.39 -0.26 -1.61 0.00 0.00 179.24 177.15 2kgl h PHE 135 N 0.55 0.00 0.34 0.28 -1.00 -1.34 -2.48 116.94 113.30 2kgl h PHE 135 Ca 0.46 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.22 2kgl h PHE 135 Cb 0.92 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2kgl h PHE 135 CO -0.00 0.39 -0.16 -0.07 -1.61 0.00 0.00 178.31 176.86 2kgl h LEU 136 N 0.00 -0.38 -2.00 1.54 -0.00 0.30 -3.21 115.31 111.56 2kgl h LEU 136 Ca -0.00 0.01 0.24 0.00 -0.00 0.00 0.00 57.88 58.13 2kgl h LEU 136 Cb 0.69 0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.42 2kgl h LEU 136 CO 0.05 -0.11 0.61 1.62 -0.00 0.00 0.00 178.44 180.61 2kgl h VAL 137 N -0.78 0.58 -0.86 1.22 3.04 -1.50 0.12 116.25 118.07 2kgl h VAL 137 Ca -0.05 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 65.71 2kgl h VAL 137 Cb 0.35 0.58 -0.06 0.00 -2.01 0.00 0.00 31.29 30.15 2kgl h VAL 137 CO 0.08 0.00 0.56 -1.28 -1.01 0.00 0.00 177.57 175.92 2kgl h SER 138 N 0.00 0.84 0.14 3.17 0.87 -1.44 -2.77 113.55 114.35 2kgl h SER 138 Ca 0.40 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 2kgl h SER 138 Cb 1.61 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2kgl h SER 138 CO -0.00 0.54 -0.07 1.56 -0.53 0.00 0.00 176.83 178.33 2kgl h GLN 139 N 0.95 -0.18 -1.68 2.24 1.08 -0.78 -2.73 115.11 114.01 2kgl h GLN 139 Ca 0.37 0.01 -0.35 0.00 -1.45 0.00 0.00 58.65 57.23 2kgl h GLN 139 Cb 0.23 0.04 -0.08 0.00 -0.05 0.00 0.00 27.48 27.62 2kgl h GLN 139 CO -0.14 0.24 -0.39 -3.47 -0.95 0.00 0.00 178.83 174.13 2kgl n ASP 140 N -4.95 -5.11 -2.66 1.46 -0.08 -1.05 -3.80 116.55 100.37 2kgl n ASP 140 Ca -0.08 0.20 -0.03 0.00 -1.51 0.00 0.00 54.79 53.36 2kgl n ASP 140 Cb 0.26 -4.17 0.01 0.00 2.34 0.00 0.00 41.12 39.56 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kgl n ARG 141 N -2.59 0.17 -3.81 -0.67 3.00 -0.82 -4.82 116.66 107.13 2kgl n ARG 141 Ca -0.19 -0.69 -0.12 0.00 -0.00 0.00 0.00 57.85 56.84 2kgl n ARG 141 Cb 0.62 -0.03 -0.12 0.00 0.00 0.00 0.00 32.46 32.93 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kgl s ALA 143 N -0.07 0.76 -0.18 0.00 0.00 -1.26 -0.26 121.76 120.74 2kgl s ALA 143 Ca -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.71 2kgl s ALA 143 Cb -0.02 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.41 2kgl s ALA 143 CO 0.01 -0.47 0.38 -1.21 0.00 0.00 0.00 175.76 174.46 2kgl s GLU 144 N 1.95 0.27 -0.02 0.00 2.02 -0.52 -3.56 118.70 118.84 2kgl s GLU 144 Ca 0.05 0.95 0.03 0.00 0.02 0.00 0.00 54.97 56.02 2kgl s GLU 144 Cb -0.12 0.22 -0.00 0.00 0.10 0.00 0.00 34.13 34.32 2kgl s GLU 144 CO -0.06 -0.27 -0.10 0.14 0.02 0.00 0.00 175.26 175.00 2kgl s VAL 145 N 2.56 0.83 -0.18 2.63 -7.23 -1.26 -0.09 120.40 117.66 2kgl s VAL 145 Ca -0.01 -0.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 2kgl s VAL 145 Cb -0.12 -0.72 0.02 0.00 0.56 0.00 0.00 36.38 36.12 2kgl s VAL 145 CO -0.12 0.25 -0.20 0.42 -0.31 0.00 0.00 175.10 175.15 2kgl s THR 146 N 0.03 2.07 -0.08 5.32 -4.23 0.08 -4.51 115.64 114.33 2kgl s THR 146 Ca -0.01 -0.95 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 2kgl s THR 146 Cb -0.07 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 71.95 2kgl s THR 146 CO 0.00 0.53 0.16 -0.22 -0.54 0.00 0.00 174.62 174.55 2kgl s LEU 147 N 1.29 -0.07 0.00 4.79 1.98 -1.26 -3.18 118.68 122.24 2kgl s LEU 147 Ca 0.05 0.31 0.00 0.00 -2.89 0.00 0.00 54.13 51.60 2kgl s LEU 147 Cb -0.13 0.25 -0.00 0.00 0.66 0.00 0.00 46.19 46.97 2kgl s LEU 147 CO -0.13 -0.25 0.46 -0.62 -1.89 0.00 0.00 176.35 173.92 2kgl n GLU 148 N 5.32 0.66 -2.70 1.98 -0.58 -1.26 -5.00 120.64 119.06 2kgl n GLU 148 Ca -0.04 -3.02 -0.08 0.00 -0.42 0.00 0.00 57.16 53.60 2kgl n GLU 148 Cb 0.50 2.80 0.10 0.00 -0.57 0.00 0.00 31.44 34.26 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kgl n GLY 149 N -0.61 1.37 0.00 0.62 0.00 -1.26 -4.59 105.19 100.71 2kgl n GLY 149 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.45 0.00 -2.65 1.61 1.13 -1.26 -4.86 117.38 110.90 2kgl n GLN 150 Ca 0.00 0.24 -0.03 0.00 -1.94 0.00 0.00 57.00 55.27 2kgl n GLN 150 Cb 0.84 -0.73 0.04 0.00 0.11 0.00 0.00 30.24 30.51 2kgl n GLN 150 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kgl n MET 151 N -1.30 0.02 -2.73 -1.09 0.00 -1.25 -4.94 117.12 105.83 2kgl n MET 151 Ca 0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 57.70 57.08 2kgl n MET 151 Cb 0.00 0.38 0.06 0.00 0.00 0.00 0.00 33.22 33.66 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2kgl n TYR 152 N 2.38 -2.74 -1.23 3.17 4.01 0.90 -4.97 117.16 118.68 2kgl n TYR 152 Ca 0.09 -1.59 -0.30 0.00 -0.16 0.00 0.00 57.90 55.93 2kgl n TYR 152 Cb 0.67 1.49 0.12 0.00 -0.31 0.00 0.00 39.34 41.31 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 0.53 1.72 -0.03 -0.72 0.04 -1.08 -2.58 135.00 132.88 2kgl s PRO 153 Ca 0.29 0.99 0.22 0.00 0.04 0.00 0.00 61.00 62.54 2kgl s PRO 153 Cb 0.24 -1.85 -0.34 0.00 0.04 0.00 0.00 34.50 32.59 2kgl s PRO 153 CO -0.19 -1.97 0.50 0.41 0.04 0.00 0.00 177.00 175.79 2kgl n GLY 154 N -1.15 -1.00 0.45 0.56 0.00 -1.26 -4.10 105.19 98.68 2kgl n GLY 154 Ca 0.08 -0.52 0.27 0.00 0.00 0.00 0.00 46.02 45.85 2kgl n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgl h LYS 155 N 0.00 0.02 -0.91 1.61 1.57 -1.91 -3.37 116.57 113.58 2kgl h LYS 155 Ca 0.00 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 2kgl h LYS 155 Cb 0.98 -0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.14 2kgl h LYS 155 CO 0.00 0.01 -0.33 0.41 -0.57 0.00 0.00 179.45 178.97 2kgl n GLY 156 N -1.70 1.72 0.00 3.86 0.00 -1.26 -4.71 105.19 103.10 2kgl n GLY 156 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N -0.22 0.00 3.45 -0.02 0.00 -1.26 -5.03 105.19 102.10 2kgl n GLY 157 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 2.26 -0.88 0.41 -0.02 0.00 -1.26 -4.91 105.19 100.78 2kgl n GLY 158 Ca 0.00 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 2kgl n GLY 158 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kgl h SER 159 N -1.51 -1.25 -5.91 1.61 4.64 -1.96 -3.47 113.55 105.69 2kgl h SER 159 Ca -0.62 0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 60.65 2kgl h SER 159 Cb 1.33 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 2kgl h SER 159 CO 0.48 -0.47 -0.51 1.17 -0.87 0.00 0.00 176.83 176.63 2kgl n LYS 160 N -5.46 -1.56 0.00 4.77 4.81 -1.26 -4.95 118.16 114.52 2kgl n LYS 160 Ca -0.06 1.31 0.00 0.00 -0.87 0.00 0.00 58.31 58.69 2kgl n LYS 160 Cb 0.37 -4.32 0.00 0.00 0.02 0.00 0.00 35.03 31.10 2kgl n LYS 160 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kgl n GLU 161 N -1.78 0.00 -2.69 1.64 1.02 -1.26 -5.01 120.64 112.56 2kgl n GLU 161 Ca -0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.99 2kgl n GLU 161 Cb 0.57 -0.31 0.01 0.00 -0.02 0.00 0.00 31.44 31.69 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2kgl n LYS 162 N -2.34 -1.72 -4.63 3.49 4.81 -0.60 -4.98 118.16 112.19 2kgl n LYS 162 Ca 0.00 1.70 -0.34 0.00 -0.87 0.00 0.00 58.31 58.80 2kgl n LYS 162 Cb 0.14 -5.03 -0.11 0.00 0.02 0.00 0.00 35.03 30.05 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kgl s ASN 163 N -2.50 4.64 0.26 3.14 -0.87 -1.25 -4.88 114.94 113.48 2kgl s ASN 163 Ca 0.14 -0.02 -0.25 0.00 -1.57 0.00 0.00 52.86 51.16 2kgl s ASN 163 Cb -0.04 -1.16 -0.09 0.00 -0.02 0.00 0.00 41.25 39.94 2kgl s ASN 163 CO 0.64 0.36 0.86 -0.54 -2.57 0.00 0.00 177.10 175.85 2kgl s LYS 164 N -0.82 4.55 -0.13 -0.60 -0.14 -1.26 -3.86 119.74 117.49 2kgl s LYS 164 Ca 0.12 1.22 -0.05 0.00 -1.36 0.00 0.00 55.97 55.90 2kgl s LYS 164 Cb -0.11 -2.98 0.06 0.00 -1.68 0.00 0.00 37.83 33.12 2kgl s LYS 164 CO 0.01 0.40 0.28 0.99 -0.76 0.00 0.00 175.35 176.27 2kgl s THR 165 N -1.44 -0.22 -0.08 2.17 2.01 -1.26 -5.06 115.64 111.76 2kgl s THR 165 Ca 0.44 0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.50 2kgl s THR 165 Cb -0.20 -0.44 -0.11 0.00 0.01 0.00 0.00 72.50 71.76 2kgl s THR 165 CO 0.25 0.08 0.52 0.11 -0.69 0.00 0.00 174.62 174.89 2kgl h LYS 166 N 7.67 -0.16 0.00 4.92 1.79 -2.04 -3.27 116.57 125.49 2kgl h LYS 166 Ca -0.29 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2kgl h LYS 166 Cb 1.14 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2kgl h LYS 166 CO 0.26 0.18 0.00 -0.35 -1.08 0.00 0.00 179.45 178.46 2kgl n PRO 167 N -4.86 0.49 -0.09 3.15 -0.04 -1.26 -3.21 135.00 129.18 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 0.66 -0.68 0.54 4.22 -1.98 -1.14 114.58 116.19 2kgl h GLU 168 Ca 0.00 -0.33 -0.04 0.00 0.08 0.00 0.00 59.36 59.07 2kgl h GLU 168 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2kgl h GLU 168 CO 0.00 0.93 0.26 0.87 -2.18 0.00 0.00 179.01 178.89 2kgl h LYS 169 N 0.39 1.02 -0.41 1.92 1.79 -1.77 0.03 116.57 119.55 2kgl h LYS 169 Ca 0.05 -0.19 -0.14 0.00 -2.18 0.00 0.00 60.65 58.19 2kgl h LYS 169 Cb 0.79 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2kgl h LYS 169 CO 0.06 0.86 -0.30 0.00 -1.08 0.00 0.00 179.45 178.98 2kgl h ALA 170 N 1.11 0.68 -0.48 3.86 0.00 -1.75 -0.08 119.26 122.60 2kgl h ALA 170 Ca 0.22 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2kgl h ALA 170 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2kgl h ALA 170 CO -0.02 0.67 -0.13 -0.22 0.00 0.00 0.00 179.25 179.56 2kgl h LYS 171 N 0.77 0.93 -0.01 0.00 1.63 -0.97 0.86 116.57 119.78 2kgl h LYS 171 Ca 0.08 -0.36 -0.15 0.00 -0.85 0.00 0.00 60.65 59.37 2kgl h LYS 171 Cb 0.88 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 2kgl h LYS 171 CO 0.08 1.02 -0.68 -0.22 -3.45 0.00 0.00 179.45 176.20 2kgl h LYS 172 N 0.78 0.05 0.00 1.90 1.63 -0.94 -3.08 116.57 116.91 2kgl h LYS 172 Ca 0.12 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.73 2kgl h LYS 172 Cb 0.69 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 2kgl h LYS 172 CO 0.05 0.71 -0.73 -0.22 -3.45 0.00 0.00 179.45 175.81 2kgl h LYS 173 N 0.03 0.00 -0.02 1.90 1.63 -0.84 -3.31 116.57 115.95 2kgl h LYS 173 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2kgl h LYS 173 Cb 1.21 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2kgl h LYS 173 CO 0.09 0.73 0.00 0.93 -3.45 0.00 0.00 179.45 177.76 2kgl h GLU 174 N 0.00 0.04 0.00 1.90 5.08 -0.74 -3.43 114.58 117.42 2kgl h GLU 174 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kgl h GLU 174 Cb 1.54 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2kgl h GLU 174 CO 0.10 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 178.80 2kgl n GLY 175 N -0.40 4.15 0.31 -3.84 0.00 -1.18 -4.09 105.19 100.14 2kgl n GLY 175 Ca -0.07 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.06 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 56.41 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 -0.06 1.55 -3.12 0.00 0.00 179.24 177.36 2kgl h PRO 177 N -1.14 0.15 -1.49 3.56 0.13 -1.98 -3.49 132.00 127.74 2kgl h PRO 177 Ca -0.08 -0.08 0.22 0.00 -0.87 0.00 0.00 66.00 65.20 2kgl h PRO 177 Cb 0.57 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.50 2kgl h PRO 177 CO 0.12 0.59 0.78 -1.59 -0.23 0.00 0.00 178.00 177.67 2kgl s LYS 178 N -4.28 0.35 -1.14 0.86 0.00 -1.26 -5.07 119.74 109.19 2kgl s LYS 178 Ca -0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 55.97 55.51 2kgl s LYS 178 Cb 0.03 0.16 -0.08 0.00 0.00 0.00 0.00 37.83 37.94 2kgl s LYS 178 CO 0.71 -0.14 1.94 -1.25 0.00 0.00 0.00 175.35 176.60 2kgl s PRO 179 N -2.14 2.50 -0.36 1.78 0.04 -1.26 -4.44 135.00 131.12 2kgl s PRO 179 Ca 0.08 -1.04 0.04 0.00 0.04 0.00 0.00 61.00 60.13 2kgl s PRO 179 Cb -0.01 -5.22 0.32 0.00 0.04 0.00 0.00 34.50 29.64 2kgl s PRO 179 CO -0.05 -3.90 1.33 -2.13 0.04 0.00 0.00 177.00 172.28 2kgl n ARG 180 N 8.37 0.37 0.01 4.56 0.63 -1.26 -5.01 116.66 124.32 2kgl n ARG 180 Ca 0.44 -1.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.35 2kgl n ARG 180 Cb 0.47 -0.38 0.00 0.00 0.45 0.00 0.00 32.46 32.99 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 0.51 0.00 -0.37 5.13 0.00 -1.26 -4.97 120.51 119.55 2kgl n ALA 181 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2kgl n ALA 181 Cb 0.74 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.40 2kgl n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kgl h SER 182 N 0.00 0.98 0.52 0.00 0.87 -1.84 -1.02 113.55 113.06 2kgl h SER 182 Ca 0.00 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 2kgl h SER 182 Cb 0.00 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2kgl h SER 182 CO 0.00 0.57 -0.31 0.50 -0.53 0.00 0.00 176.83 177.06 2kgl h LYS 183 N 1.08 -0.75 0.55 2.24 3.11 -1.83 0.24 116.57 121.20 2kgl h LYS 183 Ca 0.47 0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 58.34 2kgl h LYS 183 Cb 0.35 0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.73 2kgl h LYS 183 CO -0.22 -0.50 -0.44 0.93 -2.81 0.00 0.00 179.45 176.40 2kgl h GLU 184 N -0.78 -0.93 0.21 1.90 5.08 -1.85 0.24 114.58 118.45 2kgl h GLU 184 Ca -0.06 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2kgl h GLU 184 Cb 0.63 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2kgl h GLU 184 CO 0.07 -0.62 -0.53 -0.44 -1.00 0.00 0.00 179.01 176.49 2kgl h ASP 185 N -0.97 -1.56 -1.01 1.42 3.32 -1.19 -1.59 116.42 114.84 2kgl h ASP 185 Ca -0.06 0.16 0.17 0.00 0.02 0.00 0.00 57.03 57.31 2kgl h ASP 185 Cb 0.82 0.56 -0.10 0.00 0.22 0.00 0.00 39.33 40.83 2kgl h ASP 185 CO -0.00 -0.59 0.62 -1.13 -1.72 0.00 0.00 179.24 176.42 2kgl h ASN 186 N -0.82 0.83 -0.28 6.45 -0.73 -0.48 0.23 115.58 120.78 2kgl h ASN 186 Ca -0.02 0.08 0.06 0.00 1.87 0.00 0.00 56.30 58.29 2kgl h ASN 186 Cb 0.79 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.30 2kgl h ASN 186 CO -0.24 0.34 0.20 0.03 -0.37 0.00 0.00 177.43 177.39 2kgl h ARG 187 N 0.84 0.10 0.00 6.67 3.08 0.43 -3.18 114.38 122.33 2kgl h ARG 187 Ca 0.56 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2kgl h ARG 187 Cb 0.78 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2kgl h ARG 187 CO -0.35 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 178.62 2kgl n ALA 188 N -2.56 -0.22 0.00 0.04 0.00 0.80 -4.93 120.51 113.64 2kgl n ALA 188 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kgl n ALA 188 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2kgl n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgl n GLY 189 N 0.16 2.92 0.00 0.00 0.00 -1.18 -2.98 105.19 104.11 2kgl n GLY 189 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2kgl n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 190 N 0.00 1.99 -2.51 1.61 7.64 -1.26 -2.68 113.62 118.41 2kgl n SER 190 Ca 0.00 -0.97 -0.00 0.00 1.01 0.00 0.00 58.87 58.90 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kgl n ARG 191 N 0.00 -2.85 -4.45 1.43 0.63 -1.26 -3.73 116.66 106.43 2kgl n ARG 191 Ca 0.00 2.37 -0.40 0.00 -0.92 0.00 0.00 57.85 58.90 2kgl n ARG 191 Cb 0.00 -4.66 -0.08 0.00 0.45 0.00 0.00 32.46 28.16 2kgl n ARG 191 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2kgl n ARG 192 N 0.52 -0.75 0.04 -0.14 1.85 -1.26 -4.73 116.66 112.18 2kgl n ARG 192 Ca 0.01 0.13 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 2kgl n ARG 192 Cb 0.03 -4.45 0.00 0.00 -1.05 0.00 0.00 32.46 26.99 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kgl n GLU 193 N -4.06 0.00 -3.77 2.89 2.13 -1.24 -5.05 120.64 111.53 2kgl n GLU 193 Ca 0.05 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.64 2kgl n GLU 193 Cb 0.48 -0.24 0.02 0.00 0.27 0.00 0.00 31.44 31.96 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kgl n ASP 194 N -3.09 -1.24 -0.67 4.31 9.92 -1.09 -4.99 116.55 119.70 2kgl n ASP 194 Ca 0.00 -0.89 0.08 0.00 -0.53 0.00 0.00 54.79 53.45 2kgl n ASP 194 Cb 0.00 -3.70 0.07 0.00 -0.64 0.00 0.00 41.12 36.85 2kgl n ASP 194 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51