#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 0.14 0.00 1.01 -1.26 -5.04 116.67 118.67 2kgl s ASP 2 Ca 0.00 1.63 0.08 0.00 0.71 0.00 0.00 52.55 54.97 2kgl s ASP 2 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 2kgl s ASP 2 CO 0.00 -0.53 -0.13 0.42 0.21 0.00 0.00 175.17 175.14 2kgl s THR 3 N 2.24 3.09 0.08 -1.27 -4.23 -1.26 -5.05 115.64 109.25 2kgl s THR 3 Ca 0.51 -1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 2kgl s THR 3 Cb -0.20 -2.47 -0.10 0.00 1.34 0.00 0.00 72.50 71.07 2kgl s THR 3 CO 0.18 0.02 1.40 1.55 -0.54 0.00 0.00 174.62 177.23 2kgl h PRO 4 N 3.38 0.61 0.00 3.99 0.13 -1.96 -3.44 132.00 134.71 2kgl h PRO 4 Ca -0.48 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2kgl h PRO 4 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kgl h PRO 4 CO 0.51 0.91 0.00 0.41 -0.23 0.00 0.00 178.00 179.60 2kgl n GLY 5 N 0.16 2.38 2.40 1.56 0.00 -1.26 -4.82 105.19 105.61 2kgl n GLY 5 Ca -0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 -1.47 -1.04 1.61 2.13 -1.26 -4.78 120.64 115.83 2kgl n GLU 6 Ca 0.00 0.97 -0.06 0.00 0.66 0.00 0.00 57.16 58.73 2kgl n GLU 6 Cb 0.00 -5.47 -0.05 0.00 0.27 0.00 0.00 31.44 26.19 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kgl n ALA 7 N -1.26 3.06 -1.77 4.31 0.00 -1.26 -5.14 120.51 118.45 2kgl n ALA 7 Ca -0.22 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.22 2kgl n ALA 7 Cb 0.66 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.74 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 0.01 3.08 0.96 0.00 -1.32 -1.26 -5.02 115.64 112.08 2kgl s THR 8 Ca 0.01 0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 61.29 2kgl s THR 8 Cb 0.03 -3.52 0.17 0.00 -1.51 0.00 0.00 72.50 67.66 2kgl s THR 8 CO -0.01 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.43 2kgl s PRO 9 N -2.26 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.27 2kgl s PRO 9 Ca 0.57 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 2kgl s PRO 9 Cb -0.32 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.62 2kgl s PRO 9 CO 0.40 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.73 2kgl s PRO 10 N -4.95 0.73 -1.12 0.56 0.04 -1.26 -4.88 135.00 124.12 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 1.57 0.00 0.56 -0.04 -1.26 -4.72 135.00 127.04 2kgl n PRO 11 Ca 0.06 -2.37 -0.13 0.00 -0.04 0.00 0.00 63.50 61.02 2kgl n PRO 11 Cb 0.56 -3.61 -0.10 0.00 -0.04 0.00 0.00 33.50 30.32 2kgl n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgl h ARG 12 N 9.45 -0.05 0.00 0.54 3.08 -1.99 -3.42 114.38 121.99 2kgl h ARG 12 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2kgl h ARG 12 Cb 0.90 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 2kgl h ARG 12 CO 1.34 0.43 -0.21 1.63 -1.07 0.00 0.00 179.97 182.09 2kgl n LYS 13 N -4.88 0.00 0.20 0.04 4.76 -1.26 -4.88 118.16 112.13 2kgl n LYS 13 Ca -0.08 -0.43 -0.11 0.00 -2.87 0.00 0.00 58.31 54.82 2kgl n LYS 13 Cb 0.26 -0.15 -0.06 0.00 -1.84 0.00 0.00 35.03 33.24 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kgl h LYS 14 N 0.02 -0.54 -0.74 1.97 1.57 -1.81 -3.27 116.57 113.77 2kgl h LYS 14 Ca -0.03 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2kgl h LYS 14 Cb 1.17 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 2kgl h LYS 14 CO -0.01 -0.28 0.12 1.17 -0.57 0.00 0.00 179.45 179.87 2kgl n LYS 15 N -5.16 3.70 -0.10 3.15 4.81 -1.26 -3.13 118.16 120.16 2kgl n LYS 15 Ca -0.08 -2.53 -0.23 0.00 -0.87 0.00 0.00 58.31 54.59 2kgl n LYS 15 Cb 0.26 -2.09 -0.12 0.00 0.02 0.00 0.00 35.03 33.11 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kgl n ASP 16 N 0.21 1.98 -2.54 3.14 9.92 -1.23 -5.09 116.55 122.94 2kgl n ASP 16 Ca 0.28 0.19 -0.05 0.00 -0.53 0.00 0.00 54.79 54.68 2kgl n ASP 16 Cb 1.12 -0.74 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 2kgl n ASP 16 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kgl n ILE 17 N -3.85-12.80 -1.65 0.53 -0.00 -1.24 -4.52 119.36 95.83 2kgl n ILE 17 Ca -0.44 2.78 -0.49 0.00 -0.00 0.00 0.00 62.75 64.61 2kgl n ILE 17 Cb 0.91 -6.46 -0.05 0.00 -0.00 0.00 0.00 39.64 34.04 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 1.95 -1.37 0.38 3.00 -1.26 0.08 116.66 121.12 2kgl n ARG 18 Ca -0.38 0.69 -0.13 0.00 -0.01 0.00 0.00 57.85 58.02 2kgl n ARG 18 Cb 0.59 -2.64 -0.05 0.00 0.00 0.00 0.00 32.46 30.36 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 7.46 -5.43 -2.85 0.55 -0.08 -1.24 -0.09 116.55 114.88 2kgl n ASP 19 Ca 0.26 0.31 -0.15 0.00 -1.51 0.00 0.00 54.79 53.70 2kgl n ASP 19 Cb 0.29 -4.04 -0.01 0.00 2.34 0.00 0.00 41.12 39.70 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 -2.33 -1.65 0.00 -0.67 4.02 0.11 -4.07 117.16 112.57 2kgl n TYR 20 Ca -0.13 0.20 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 2kgl n TYR 20 Cb 0.57 -2.56 0.00 0.00 -0.02 0.00 0.00 39.34 37.33 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 -1.96 0.00 0.30 7.72 5.15 -1.00 -4.94 115.26 120.53 2kgl n ASN 21 Ca -0.07 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 1.08 0.00 -0.53 0.00 0.00 39.78 40.90 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 -0.08 1.20 1.82 -0.64 -3.01 116.42 115.71 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 -0.53 0.00 -1.61 0.00 0.00 179.24 177.10 2kgl h ALA 23 N 2.00 -0.88 -0.68 -0.78 0.00 -1.82 0.99 119.26 118.09 2kgl h ALA 23 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.96 2kgl h ALA 23 Cb 0.02 0.96 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 2kgl h ALA 23 CO 0.00 -1.08 0.26 0.38 0.00 0.00 0.00 179.25 178.81 2kgl h ASP 24 N -0.61 0.25 -0.75 0.00 3.04 -1.88 -0.99 116.42 115.48 2kgl h ASP 24 Ca 0.03 0.09 0.05 0.00 -3.24 0.00 0.00 57.03 53.96 2kgl h ASP 24 Cb 0.69 0.07 -0.05 0.00 -1.04 0.00 0.00 39.33 39.00 2kgl h ASP 24 CO -0.40 0.12 0.46 -0.03 -2.04 0.00 0.00 179.24 177.35 2kgl h MET 25 N 0.43 0.84 -0.95 4.15 4.05 -1.42 -1.22 114.93 120.80 2kgl h MET 25 Ca 0.35 -0.05 0.27 0.00 -0.28 0.00 0.00 59.70 60.00 2kgl h MET 25 Cb 0.48 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.05 2kgl h MET 25 CO -0.35 0.55 0.68 0.00 0.23 0.00 0.00 176.91 178.02 2kgl h ALA 26 N 1.35 2.87 -0.67 0.39 0.00 0.57 0.27 119.26 124.03 2kgl h ALA 26 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2kgl h ALA 26 Cb 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2kgl h ALA 26 CO -0.15 -1.14 0.43 -0.09 0.00 0.00 0.00 179.25 178.31 2kgl h ARG 27 N 0.02 0.90 -0.93 0.00 9.65 -1.16 -1.97 114.38 120.89 2kgl h ARG 27 Ca 0.45 -0.06 0.21 0.00 -1.10 0.00 0.00 59.98 59.48 2kgl h ARG 27 Cb 1.79 -0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 30.10 2kgl h ARG 27 CO -0.02 0.60 0.61 1.37 2.80 0.00 0.00 179.97 185.34 2kgl h LEU 28 N 0.92 0.46 -1.57 3.80 8.10 -0.57 0.27 115.31 126.72 2kgl h LEU 28 Ca 0.25 0.05 -0.01 0.00 0.11 0.00 0.00 57.88 58.28 2kgl h LEU 28 Cb -0.08 -0.03 -0.02 0.00 -0.44 0.00 0.00 40.66 40.09 2kgl h LEU 28 CO -0.05 0.17 0.17 0.25 -4.11 0.00 0.00 178.44 174.87 2kgl h LEU 29 N 0.45 0.40 -1.23 0.17 5.85 -1.47 -1.14 115.31 118.35 2kgl h LEU 29 Ca 0.49 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 59.12 2kgl h LEU 29 Cb 1.16 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2kgl h LEU 29 CO -0.21 0.34 -0.31 -0.08 -0.34 0.00 0.00 178.44 177.84 2kgl h GLU 30 N 0.46 0.00 -0.64 1.25 4.57 -0.55 -3.11 114.58 116.56 2kgl h GLU 30 Ca 0.12 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.42 2kgl h GLU 30 Cb 0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.53 2kgl h GLU 30 CO -0.02 0.31 0.15 0.37 -1.18 0.00 0.00 179.01 178.65 2kgl h GLN 31 N 0.00 0.27 -0.49 1.92 4.15 -1.08 -0.57 115.11 119.31 2kgl h GLN 31 Ca -0.00 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.50 2kgl h GLN 31 Cb 0.71 -0.06 -0.09 0.00 0.21 0.00 0.00 27.48 28.26 2kgl h GLN 31 CO 0.04 0.18 -0.05 2.35 -1.93 0.00 0.00 178.83 179.42 2kgl h TRP 32 N 0.28 -0.13 0.00 3.99 7.01 -1.65 0.13 115.95 125.58 2kgl h TRP 32 Ca 0.34 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.31 2kgl h TRP 32 Cb 0.52 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 2kgl h TRP 32 CO -0.24 -0.16 -0.33 1.49 -2.79 0.00 0.00 178.44 176.41 2kgl h GLU 33 N 0.06 0.00 0.00 2.65 4.22 -1.41 -2.39 114.58 117.71 2kgl h GLU 33 Ca 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.61 2kgl h GLU 33 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kgl h GLU 33 CO -0.45 0.33 -0.35 -0.22 -2.18 0.00 0.00 179.01 176.14 2kgl h LYS 34 N 0.00 0.00 -1.00 1.92 3.11 0.66 -2.81 116.57 118.45 2kgl h LYS 34 Ca -0.00 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.06 2kgl h LYS 34 Cb 0.62 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.74 2kgl h LYS 34 CO 0.04 0.35 0.62 0.22 -2.81 0.00 0.00 179.45 177.87 2kgl h ASP 35 N 0.00 0.65 0.00 4.20 3.58 -0.55 0.50 116.42 124.80 2kgl h ASP 35 Ca -0.00 0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 2kgl h ASP 35 Cb 0.82 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2kgl h ASP 35 CO 0.05 0.18 -0.90 -0.67 -2.88 0.00 0.00 179.24 175.02 2kgl n ASP 36 N -4.74 1.84 0.18 2.28 -0.08 -1.17 -4.64 116.55 110.23 2kgl n ASP 36 Ca 0.24 0.53 -0.08 0.00 -1.51 0.00 0.00 54.79 53.97 2kgl n ASP 36 Cb 0.69 -0.89 -0.04 0.00 2.34 0.00 0.00 41.12 43.22 2kgl n ASP 36 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kgl h ASP 37 N -1.00 -0.48 -5.66 1.67 5.19 -1.38 -3.47 116.42 111.29 2kgl h ASP 37 Ca -0.15 0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.11 2kgl h ASP 37 Cb 0.86 0.14 0.01 0.00 0.18 0.00 0.00 39.33 40.52 2kgl h ASP 37 CO -0.09 -0.30 -0.94 0.00 -3.12 0.00 0.00 179.24 174.79 2kgl n ILE 38 N -3.47 -2.48 -0.05 0.35 3.06 0.17 -4.95 119.36 112.01 2kgl n ILE 38 Ca -0.06 0.23 -0.04 0.00 -2.50 0.00 0.00 62.75 60.37 2kgl n ILE 38 Cb 0.20 -2.72 -0.01 0.00 0.54 0.00 0.00 39.64 37.65 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2kgl n GLU 39 N 0.46 0.27 -3.30 9.51 2.13 -1.26 -5.09 120.64 123.36 2kgl n GLU 39 Ca -0.04 0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.81 2kgl n GLU 39 Cb 0.50 -1.03 -0.04 0.00 0.27 0.00 0.00 31.44 31.14 2kgl n GLU 39 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kgl n GLU 40 N -3.52 0.54 0.00 5.31 1.02 -1.26 -5.04 120.64 117.69 2kgl n GLU 40 Ca -0.07 -1.90 0.00 0.00 -0.02 0.00 0.00 57.16 55.18 2kgl n GLU 40 Cb 0.25 1.23 0.00 0.00 -0.02 0.00 0.00 31.44 32.90 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgl n GLY 41 N 0.21 0.78 2.88 0.62 0.00 -1.25 -4.30 105.19 104.13 2kgl n GLY 41 Ca -0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 2kgl n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kgl s ASP 42 N -0.29 4.19 -0.46 1.61 1.01 -1.26 -4.62 116.67 116.85 2kgl s ASP 42 Ca 0.00 -3.04 0.06 0.00 0.71 0.00 0.00 52.55 50.28 2kgl s ASP 42 Cb 0.00 -1.49 0.21 0.00 1.01 0.00 0.00 42.92 42.65 2kgl s ASP 42 CO 0.00 -0.22 0.62 0.18 0.21 0.00 0.00 175.17 175.96 2kgl n LEU 43 N 3.05 -1.87 0.05 1.23 4.77 -1.26 -4.98 117.00 117.99 2kgl n LEU 43 Ca 0.08 -3.72 -0.05 0.00 -0.03 0.00 0.00 56.01 52.29 2kgl n LEU 43 Cb 0.33 0.70 0.16 0.00 -2.33 0.00 0.00 43.42 42.27 2kgl n LEU 43 CO 0.31 1.95 0.59 1.55 -1.33 0.00 0.00 177.39 180.46 2kgl h PRO 44 N 4.80 0.37 -4.76 3.23 0.13 -1.94 -3.39 132.00 130.43 2kgl h PRO 44 Ca 0.08 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2kgl h PRO 44 Cb 1.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2kgl h PRO 44 CO 0.26 0.75 -0.85 0.39 -0.23 0.00 0.00 178.00 178.31 2kgl n GLU 45 N -4.00 -2.97 -0.17 0.86 -0.58 -1.26 -4.49 120.64 108.03 2kgl n GLU 45 Ca -0.02 2.45 0.27 0.00 -0.42 0.00 0.00 57.16 59.44 2kgl n GLU 45 Cb 0.52 -4.64 0.71 0.00 -0.57 0.00 0.00 31.44 27.46 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2kgl h HIS 46 N 2.58 0.03 0.00 -0.32 2.07 -1.94 -3.41 115.15 114.15 2kgl h HIS 46 Ca -0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.50 2kgl h HIS 46 Cb 0.05 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.02 2kgl h HIS 46 CO 0.01 0.01 0.00 1.17 -3.07 0.00 0.00 177.93 176.04 2kgl n LYS 47 N -4.29 0.00 -3.28 5.12 4.81 -1.26 -5.04 118.16 114.22 2kgl n LYS 47 Ca 0.18 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.47 2kgl n LYS 47 Cb 0.92 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.98 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kgl n ARG 48 N -1.79 -1.72 -2.14 1.64 5.12 -1.26 -4.72 116.66 111.80 2kgl n ARG 48 Ca 0.00 1.44 -0.43 0.00 -1.93 0.00 0.00 57.85 56.93 2kgl n ARG 48 Cb 0.00 -4.25 -0.03 0.00 -1.16 0.00 0.00 32.46 27.02 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kgl s PRO 49 N -3.33 4.06 0.26 5.56 0.04 -1.26 -4.91 135.00 135.43 2kgl s PRO 49 Ca 0.12 1.89 0.09 0.00 0.04 0.00 0.00 61.00 63.14 2kgl s PRO 49 Cb -0.02 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 2kgl s PRO 49 CO 0.81 -0.97 0.02 -1.12 0.04 0.00 0.00 177.00 175.79 2kgl s SER 50 N 3.33 4.67 0.07 6.66 0.01 -1.26 -5.11 113.70 122.08 2kgl s SER 50 Ca 0.68 -0.60 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2kgl s SER 50 Cb -0.28 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 2kgl s SER 50 CO 0.26 -0.01 -0.02 0.00 0.41 0.00 0.00 173.24 173.88 2kgl s ALA 51 N -2.30 0.66 0.23 1.44 0.00 -1.26 -4.30 121.76 116.23 2kgl s ALA 51 Ca 0.32 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2kgl s ALA 51 Cb -0.07 0.37 -0.09 0.00 0.00 0.00 0.00 23.12 23.33 2kgl s ALA 51 CO 0.21 -0.37 1.28 -1.25 0.00 0.00 0.00 175.76 175.62 2kgl s PRO 52 N -3.93 4.42 -0.42 0.00 0.04 -1.26 -4.87 135.00 128.98 2kgl s PRO 52 Ca 0.11 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.28 2kgl s PRO 52 Cb 0.07 -3.17 0.32 0.00 0.04 0.00 0.00 34.50 31.76 2kgl s PRO 52 CO -0.07 -0.18 0.89 0.44 0.04 0.00 0.00 177.00 178.12 2kgl n ILE 53 N 2.11 -0.13 -4.79 0.56 -5.35 -1.26 -5.00 119.36 105.50 2kgl n ILE 53 Ca 0.04 -2.95 -0.34 0.00 -0.27 0.00 0.00 62.75 59.23 2kgl n ILE 53 Cb 0.43 0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.75 2kgl n ILE 53 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2kgl n ASP 54 N 0.55 3.45 0.00 7.28 9.92 -1.26 -4.74 116.55 131.74 2kgl n ASP 54 Ca 0.15 -3.31 0.00 0.00 -0.53 0.00 0.00 54.79 51.10 2kgl n ASP 54 Cb 0.66 0.37 0.00 0.00 -0.64 0.00 0.00 41.12 41.51 2kgl n ASP 54 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2kgl n PHE 55 N -1.31 0.00 -2.97 1.24 -1.74 -1.26 -5.11 117.46 106.31 2kgl n PHE 55 Ca -0.22 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.64 2kgl n PHE 55 Cb 0.67 0.19 0.00 0.00 1.52 0.00 0.00 39.48 41.86 2kgl n PHE 55 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2kgl n SER 56 N -2.53 -7.28 -0.01 5.98 3.41 -1.26 -4.98 113.62 106.95 2kgl n SER 56 Ca 0.00 0.86 -0.02 0.00 -0.26 0.00 0.00 58.87 59.46 2kgl n SER 56 Cb 0.23 -3.56 -0.02 0.00 -0.26 0.00 0.00 64.21 60.60 2kgl n SER 56 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kgl n LYS 57 N 0.84 3.02 0.00 4.33 5.02 -1.26 -4.86 118.16 125.25 2kgl n LYS 57 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2kgl n LYS 57 Cb 0.28 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 2kgl n LYS 57 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2kgl n LEU 58 N -2.18 0.00 -4.69 -0.35 7.94 -1.26 -4.87 117.00 111.59 2kgl n LEU 58 Ca -0.05 0.55 -0.23 0.00 -1.11 0.00 0.00 56.01 55.17 2kgl n LEU 58 Cb 0.59 -0.05 -0.06 0.00 0.53 0.00 0.00 43.42 44.43 2kgl n LEU 58 CO 0.06 -0.05 -0.29 -1.81 -1.11 0.00 0.00 177.39 174.20 2kgl s ASP 59 N -2.01 4.79 -0.02 1.96 1.11 -1.26 -5.06 116.67 116.18 2kgl s ASP 59 Ca 0.00 -0.55 -0.26 0.00 0.18 0.00 0.00 52.55 51.93 2kgl s ASP 59 Cb 0.00 -0.99 -0.20 0.00 1.07 0.00 0.00 42.92 42.80 2kgl s ASP 59 CO 0.00 -0.01 1.25 1.55 1.18 0.00 0.00 175.17 179.14 2kgl h PRO 60 N 1.78 -0.02 -6.64 8.23 0.13 -1.90 -3.48 132.00 130.11 2kgl h PRO 60 Ca -0.45 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.15 2kgl h PRO 60 Cb 1.25 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2kgl h PRO 60 CO 0.60 0.46 -0.88 0.41 -0.23 0.00 0.00 178.00 178.37 2kgl n GLY 61 N 0.22 -0.27 2.69 1.56 0.00 -1.26 -4.71 105.19 103.43 2kgl n GLY 61 Ca -0.08 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2kgl n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kgl n LYS 62 N -4.42 2.84 -1.07 1.61 4.81 -1.26 -4.34 118.16 116.34 2kgl n LYS 62 Ca -0.20 -4.71 -0.30 0.00 -0.87 0.00 0.00 58.31 52.22 2kgl n LYS 62 Cb 0.63 -2.21 0.25 0.00 0.02 0.00 0.00 35.03 33.72 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kgl s PRO 63 N -3.00 -1.51 0.40 1.64 0.04 -1.26 -4.95 135.00 126.34 2kgl s PRO 63 Ca 0.45 -0.17 0.23 0.00 0.04 0.00 0.00 61.00 61.55 2kgl s PRO 63 Cb 0.23 -1.57 0.40 0.00 0.04 0.00 0.00 34.50 33.60 2kgl s PRO 63 CO -0.09 -3.88 1.61 1.49 0.04 0.00 0.00 177.00 176.18 2kgl h GLU 64 N -2.70 0.00 -0.98 4.56 4.81 -1.98 -3.29 114.58 114.99 2kgl h GLU 64 Ca -0.43 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.02 2kgl h GLU 64 Cb 1.29 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.57 2kgl h GLU 64 CO 0.30 0.00 0.62 0.77 -0.73 0.00 0.00 179.01 179.97 2kgl h SER 65 N 0.00 0.58 -0.84 1.04 0.02 -1.93 0.25 113.55 112.67 2kgl h SER 65 Ca 0.00 0.08 0.24 0.00 -0.84 0.00 0.00 61.79 61.27 2kgl h SER 65 Cb 0.96 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 2kgl h SER 65 CO 0.00 0.19 0.61 0.40 -1.14 0.00 0.00 176.83 176.88 2kgl h ILE 66 N 0.55 0.58 -0.48 3.27 5.03 -1.95 0.16 117.51 124.67 2kgl h ILE 66 Ca 0.55 -0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 65.17 2kgl h ILE 66 Cb 1.16 0.58 -0.01 0.00 -3.03 0.00 0.00 36.82 35.51 2kgl h ILE 66 CO -0.30 0.00 -0.18 -0.07 -0.68 0.00 0.00 178.15 176.92 2kgl h LEU 67 N 0.00 0.99 -2.73 1.44 3.38 -0.75 -2.63 115.31 115.01 2kgl h LEU 67 Ca 0.40 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2kgl h LEU 67 Cb 1.61 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2kgl h LEU 67 CO -0.00 1.15 -0.01 0.50 0.09 0.00 0.00 178.44 180.17 2kgl h LYS 68 N 0.82 0.00 -0.94 1.13 3.11 -0.75 -2.18 116.57 117.76 2kgl h LYS 68 Ca 0.11 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.18 2kgl h LYS 68 Cb 0.75 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.91 2kgl h LYS 68 CO 0.06 0.01 0.63 0.52 -2.81 0.00 0.00 179.45 177.85 2kgl h MET 69 N 0.00 0.33 -4.67 1.90 2.86 -1.37 -3.45 114.93 110.53 2kgl h MET 69 Ca -0.00 -0.02 -0.29 0.00 -2.06 0.00 0.00 59.70 57.33 2kgl h MET 69 Cb 0.03 -0.07 0.11 0.00 0.06 0.00 0.00 31.60 31.73 2kgl h MET 69 CO 0.00 0.22 -0.52 2.41 1.06 0.00 0.00 176.91 180.07 2kgl n THR 70 N -4.49 -2.66 -2.42 2.22 -1.04 -0.83 -4.34 114.28 100.72 2kgl n THR 70 Ca 0.20 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 62.12 2kgl n THR 70 Cb 0.79 -3.56 -0.03 0.00 -1.82 0.00 0.00 70.33 65.71 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kgl n LYS 71 N -3.80 -3.48 -1.67 -2.82 0.00 -1.26 -4.82 118.16 100.30 2kgl n LYS 71 Ca -0.03 2.75 -0.30 0.00 0.00 0.00 0.00 58.31 60.74 2kgl n LYS 71 Cb 0.56 -4.42 0.18 0.00 0.00 0.00 0.00 35.03 31.35 2kgl n LYS 71 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2kgl s LYS 72 N -0.93 0.42 0.00 1.64 -0.14 -1.26 -4.98 119.74 114.49 2kgl s LYS 72 Ca -0.16 -0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.28 2kgl s LYS 72 Cb 0.01 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2kgl s LYS 72 CO 0.65 -2.60 0.61 0.41 -0.76 0.00 0.00 175.35 173.66 2kgl n GLY 73 N -2.84 0.90 3.28 -3.33 0.00 -1.26 -4.66 105.19 97.27 2kgl n GLY 73 Ca 0.13 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2kgl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 74 N 0.00 0.45 0.21 1.61 0.00 -1.24 -0.03 119.74 120.73 2kgl s LYS 74 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 55.97 56.48 2kgl s LYS 74 Cb 0.00 0.22 0.04 0.00 0.00 0.00 0.00 37.83 38.10 2kgl s LYS 74 CO -0.00 -0.06 0.28 0.25 0.00 0.00 0.00 175.35 175.83 2kgl n THR 75 N 2.84 0.00 -3.82 3.79 -2.24 -1.12 -4.11 114.28 109.61 2kgl n THR 75 Ca -0.13 -0.40 -0.24 0.00 -2.27 0.00 0.00 64.05 61.01 2kgl n THR 75 Cb 0.57 -1.33 -0.17 0.00 -2.10 0.00 0.00 70.33 67.30 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 0.00 0.75 -0.24 3.22 0.20 -1.26 -4.72 118.68 116.63 2kgl s LEU 76 Ca 0.18 -0.13 -0.07 0.00 0.69 0.00 0.00 54.13 54.80 2kgl s LEU 76 Cb -0.01 -0.52 0.11 0.00 -0.43 0.00 0.00 46.19 45.34 2kgl s LEU 76 CO 0.12 -0.17 0.51 0.00 -0.29 0.00 0.00 176.35 176.52 2kgl s MET 77 N 1.85 0.43 -0.22 1.98 0.23 -1.22 -3.16 119.30 119.20 2kgl s MET 77 Ca 0.04 1.16 -0.13 0.00 -1.03 0.00 0.00 55.69 55.73 2kgl s MET 77 Cb -0.12 0.50 0.07 0.00 -1.53 0.00 0.00 34.83 33.74 2kgl s MET 77 CO -0.06 -0.27 0.54 -1.64 -2.03 0.00 0.00 175.02 171.56 2kgl s MET 78 N 2.73 0.55 -0.06 3.16 -1.94 -0.97 -0.94 119.30 121.82 2kgl s MET 78 Ca -0.01 0.97 -0.02 0.00 -1.71 0.00 0.00 55.69 54.92 2kgl s MET 78 Cb -0.12 0.07 0.03 0.00 2.01 0.00 0.00 34.83 36.82 2kgl s MET 78 CO -0.16 -0.15 0.06 -0.06 -0.01 0.00 0.00 175.02 174.70 2kgl s PHE 79 N 1.41 0.16 -0.05 -0.03 0.08 -0.43 -2.29 117.98 116.82 2kgl s PHE 79 Ca -0.09 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.97 2kgl s PHE 79 Cb -0.07 -0.55 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 2kgl s PHE 79 CO -0.15 -0.26 0.25 0.54 -0.10 0.00 0.00 175.22 175.51 2kgl s VAL 80 N 2.14 0.04 -0.41 -0.44 0.11 -1.18 -0.72 120.40 119.93 2kgl s VAL 80 Ca 0.04 -0.29 0.06 0.00 -2.93 0.00 0.00 61.98 58.86 2kgl s VAL 80 Cb -0.13 -0.46 0.20 0.00 -1.53 0.00 0.00 36.38 34.46 2kgl s VAL 80 CO -0.04 -0.16 0.45 1.07 -3.33 0.00 0.00 175.10 173.09 2kgl n THR 81 N 2.11 -0.92 -3.52 5.04 5.66 0.89 -2.30 114.28 121.25 2kgl n THR 81 Ca -0.18 -3.40 -0.11 0.00 -3.05 0.00 0.00 64.05 57.32 2kgl n THR 81 Cb 0.57 -1.47 -0.04 0.00 -1.55 0.00 0.00 70.33 67.85 2kgl n THR 81 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kgl s VAL 82 N -0.29 0.00 -0.27 1.08 0.11 -0.71 -2.11 120.40 118.21 2kgl s VAL 82 Ca 0.33 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 2kgl s VAL 82 Cb 0.09 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 2kgl s VAL 82 CO -0.16 0.00 2.16 -0.94 -3.33 0.00 0.00 175.10 172.82 2kgl s SER 83 N -1.88 5.44 0.45 3.54 1.04 -1.26 -3.15 113.70 117.88 2kgl s SER 83 Ca 0.00 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.12 2kgl s SER 83 Cb -0.01 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2kgl s SER 83 CO -0.03 -2.01 0.00 0.61 0.98 0.00 0.00 173.24 172.79 2kgl n GLY 84 N 5.73 -3.64 3.61 7.32 0.00 -1.26 -4.66 105.19 112.29 2kgl n GLY 84 Ca 0.29 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -5.18 -0.62 -1.11 1.61 3.04 -1.26 -4.81 114.94 106.61 2kgl s ASN 85 Ca 0.00 1.05 -0.23 0.00 0.04 0.00 0.00 52.86 53.72 2kgl s ASN 85 Cb 0.00 1.02 -0.08 0.00 -1.54 0.00 0.00 41.25 40.65 2kgl s ASN 85 CO 0.00 -0.30 1.94 -2.16 -3.04 0.00 0.00 177.10 173.54 2kgl s PRO 86 N -0.11 2.50 0.00 0.43 0.04 -1.26 -4.26 135.00 132.35 2kgl s PRO 86 Ca -0.01 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.08 2kgl s PRO 86 Cb -0.04 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.31 2kgl s PRO 86 CO 0.01 -3.84 0.67 2.41 0.04 0.00 0.00 177.00 176.28 2kgl n THR 87 N 7.83 0.00 -0.32 1.26 -1.04 -1.26 -4.88 114.28 115.86 2kgl n THR 87 Ca 0.44 -0.01 0.10 0.00 -2.04 0.00 0.00 64.05 62.53 2kgl n THR 87 Cb 0.47 0.17 0.31 0.00 -1.82 0.00 0.00 70.33 69.46 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 0.01 0.81 0.40 -2.82 4.11 -1.94 0.28 114.58 115.44 2kgl h GLU 88 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2kgl h GLU 88 Cb 1.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2kgl h GLU 88 CO -0.01 0.54 -0.19 0.87 0.07 0.00 0.00 179.01 180.29 2kgl h LYS 89 N 0.84 -0.52 -0.16 1.06 1.57 -1.96 -3.07 116.57 114.33 2kgl h LYS 89 Ca 0.49 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2kgl h LYS 89 Cb 0.64 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2kgl h LYS 89 CO -0.25 -0.21 0.11 0.93 -0.57 0.00 0.00 179.45 179.45 2kgl h GLU 90 N -0.85 0.21 0.11 3.15 4.39 -1.83 -2.94 114.58 116.81 2kgl h GLU 90 Ca -0.05 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.65 2kgl h GLU 90 Cb 0.55 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2kgl h GLU 90 CO 0.09 0.14 -0.52 1.15 -1.16 0.00 0.00 179.01 178.71 2kgl h THR 91 N 0.21 0.02 -0.31 1.13 2.02 -0.36 0.74 112.91 116.36 2kgl h THR 91 Ca 0.06 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.33 2kgl h THR 91 Cb -0.01 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 2kgl h THR 91 CO -0.01 0.00 0.25 -0.33 0.37 0.00 0.00 175.52 175.80 2kgl h GLU 92 N -0.74 0.00 0.00 6.66 5.08 -1.50 0.24 114.58 124.32 2kgl h GLU 92 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kgl h GLU 92 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2kgl h GLU 92 CO -0.29 0.00 -0.21 0.93 -1.00 0.00 0.00 179.01 178.44 2kgl h GLU 93 N 0.00 0.00 -1.04 2.33 3.07 -0.97 -3.21 114.58 114.76 2kgl h GLU 93 Ca 0.15 0.00 0.29 0.00 -0.50 0.00 0.00 59.36 59.30 2kgl h GLU 93 Cb 0.64 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.50 2kgl h GLU 93 CO -0.00 0.21 0.74 0.82 -1.40 0.00 0.00 179.01 179.37 2kgl h ILE 94 N 0.00 0.49 -0.68 3.13 2.04 0.16 0.31 117.51 122.96 2kgl h ILE 94 Ca -0.00 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2kgl h ILE 94 Cb 0.97 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2kgl h ILE 94 CO 0.03 0.01 0.17 0.00 0.00 0.00 0.00 178.15 178.37 2kgl h THR 95 N 0.08 1.26 -0.14 -0.27 1.03 -1.70 0.27 112.91 113.43 2kgl h THR 95 Ca 0.51 -0.93 -0.08 0.00 -0.01 0.00 0.00 66.41 65.90 2kgl h THR 95 Cb 1.89 0.54 -0.00 0.00 -1.07 0.00 0.00 68.15 69.51 2kgl h THR 95 CO -0.06 0.36 -0.22 -1.28 -0.01 0.00 0.00 175.52 174.31 2kgl h SER 96 N 1.03 0.44 -0.53 0.00 0.87 -0.62 -3.15 113.55 111.58 2kgl h SER 96 Ca 0.22 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 60.13 2kgl h SER 96 Cb 0.35 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2kgl h SER 96 CO -0.00 0.88 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.99 2kgl h LEU 97 N 0.01 1.03 -1.95 2.23 3.38 -1.32 -2.77 115.31 115.92 2kgl h LEU 97 Ca 0.01 -0.36 0.18 0.00 0.09 0.00 0.00 57.88 57.81 2kgl h LEU 97 Cb 0.79 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2kgl h LEU 97 CO 0.05 1.15 0.47 -0.25 0.09 0.00 0.00 178.44 179.95 2kgl h TRP 98 N 0.90 0.05 -0.31 1.13 7.01 -0.49 0.15 115.95 124.39 2kgl h TRP 98 Ca 0.14 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.12 2kgl h TRP 98 Cb 0.70 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 2kgl h TRP 98 CO 0.05 0.02 0.12 1.96 -2.79 0.00 0.00 178.44 177.80 2kgl h GLN 99 N 0.04 0.44 0.34 2.65 7.50 -1.45 -0.41 115.11 124.22 2kgl h GLN 99 Ca 0.31 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.40 2kgl h GLN 99 Cb 1.19 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 28.64 2kgl h GLN 99 CO -0.02 0.37 -0.16 0.78 -1.50 0.00 0.00 178.83 178.30 2kgl h GLY 100 N 0.59 -0.47 2.00 3.46 0.00 -0.81 -3.23 103.07 104.61 2kgl h GLY 100 Ca 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 2kgl h GLY 100 CO -0.01 -0.17 -0.07 0.23 0.00 0.00 0.00 176.54 176.51 2kgl h SER 101 N -0.95 0.00 -0.83 0.19 0.87 -1.49 -2.06 113.55 109.27 2kgl h SER 101 Ca -0.05 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.68 2kgl h SER 101 Cb 0.52 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.42 2kgl h SER 101 CO 0.08 0.07 0.55 0.25 -0.53 0.00 0.00 176.83 177.25 2kgl h LEU 102 N 0.00 0.45 -1.49 2.23 5.85 -1.08 0.61 115.31 121.89 2kgl h LEU 102 Ca -0.00 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.90 2kgl h LEU 102 Cb 0.13 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 2kgl h LEU 102 CO 0.01 0.22 0.53 0.15 -0.34 0.00 0.00 178.44 179.00 2kgl h PHE 103 N 0.47 0.59 -0.02 1.25 3.04 -1.43 0.24 116.94 121.08 2kgl h PHE 103 Ca 0.42 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.39 2kgl h PHE 103 Cb 0.93 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.25 2kgl h PHE 103 CO -0.00 0.22 0.07 -0.91 -2.02 0.00 0.00 178.31 175.67 2kgl h ASN 104 N 0.50 0.00 -0.45 0.41 2.35 -1.04 -3.45 115.58 113.91 2kgl h ASN 104 Ca 0.40 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.96 2kgl h ASN 104 Cb 0.81 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.11 2kgl h ASN 104 CO -0.15 0.00 -0.17 0.00 -1.65 0.00 0.00 177.43 175.46 2kgl n ALA 105 N -2.13 -0.14 -2.29 -0.83 0.00 0.85 -4.37 120.51 111.61 2kgl n ALA 105 Ca -0.02 0.15 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 2kgl n ALA 105 Cb 0.15 -1.51 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 -0.75 -0.01 -4.27 0.00 2.85 -1.26 -4.70 115.26 107.12 2kgl n ASN 106 Ca -0.09 -2.01 -0.33 0.00 -0.11 0.00 0.00 54.58 52.04 2kgl n ASN 106 Cb 0.48 0.01 0.16 0.00 1.24 0.00 0.00 39.78 41.68 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgl n TYR 107 N 0.14 -1.44 -3.74 1.20 0.18 -1.26 -3.54 117.16 108.69 2kgl n TYR 107 Ca -0.11 0.17 -0.22 0.00 1.88 0.00 0.00 57.90 59.62 2kgl n TYR 107 Cb 0.92 -1.57 -0.18 0.00 -0.38 0.00 0.00 39.34 38.13 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2kgl s ASP 108 N -1.80 1.46 -0.16 9.48 -1.08 -1.05 -4.75 116.67 118.76 2kgl s ASP 108 Ca 0.55 -0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 52.48 2kgl s ASP 108 Cb -0.11 -0.35 0.08 0.00 -1.46 0.00 0.00 42.92 41.07 2kgl s ASP 108 CO 0.66 -0.21 0.34 0.54 0.52 0.00 0.00 175.17 177.02 2kgl s VAL 109 N 2.03 -0.53 -0.03 1.11 0.11 -1.26 -1.94 120.40 119.89 2kgl s VAL 109 Ca 0.05 0.22 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2kgl s VAL 109 Cb -0.12 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2kgl s VAL 109 CO -0.05 0.09 -0.12 -1.10 -3.33 0.00 0.00 175.10 170.60 2kgl s GLN 110 N 2.51 1.23 -0.18 1.54 -1.52 -0.84 -4.75 119.66 117.66 2kgl s GLN 110 Ca -0.00 -0.40 0.01 0.00 -1.95 0.00 0.00 55.36 53.02 2kgl s GLN 110 Cb -0.12 -1.11 0.02 0.00 -0.22 0.00 0.00 33.01 31.58 2kgl s GLN 110 CO -0.11 0.16 -0.20 -0.98 -0.25 0.00 0.00 175.29 173.91 2kgl s ARG 111 N 0.15 2.98 0.02 2.91 1.70 -1.18 -2.14 118.95 123.38 2kgl s ARG 111 Ca -0.03 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.41 2kgl s ARG 111 Cb -0.10 -2.57 -0.01 0.00 -0.57 0.00 0.00 34.95 31.70 2kgl s ARG 111 CO 0.01 -0.21 -0.05 0.12 -1.08 0.00 0.00 175.30 174.09 2kgl s PHE 112 N 1.29 0.46 -0.01 5.89 5.36 -0.91 -4.00 117.98 126.06 2kgl s PHE 112 Ca 0.05 -0.29 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2kgl s PHE 112 Cb -0.13 -0.29 0.01 0.00 -0.34 0.00 0.00 43.02 42.27 2kgl s PHE 112 CO -0.13 -0.06 0.00 0.96 -1.46 0.00 0.00 175.22 174.54 2kgl s ILE 113 N -0.75 0.00 -0.11 3.12 -5.25 -1.26 -1.53 121.20 115.43 2kgl s ILE 113 Ca -0.05 0.04 -0.00 0.00 -0.99 0.00 0.00 60.65 59.65 2kgl s ILE 113 Cb -0.06 -0.04 0.02 0.00 2.95 0.00 0.00 42.46 45.33 2kgl s ILE 113 CO -0.00 0.03 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.42 2kgl s VAL 114 N 0.26 0.98 0.00 8.37 1.01 -0.41 -5.01 120.40 125.60 2kgl s VAL 114 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2kgl s VAL 114 Cb -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2kgl s VAL 114 CO -0.01 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2kgl n GLY 115 N 4.96 0.32 0.00 4.51 0.00 -1.26 -0.19 105.19 113.53 2kgl n GLY 115 Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2kgl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 116 N 6.87 0.71 -4.88 1.61 7.64 -1.26 -5.03 113.62 119.28 2kgl n SER 116 Ca 0.00 -0.86 -0.32 0.00 1.01 0.00 0.00 58.87 58.70 2kgl n SER 116 Cb 0.00 0.29 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 2kgl n SER 116 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kgl s ASP 117 N -0.30 6.57 -0.06 6.43 1.01 0.73 -4.44 116.67 126.61 2kgl s ASP 117 Ca 0.00 0.73 0.02 0.00 0.71 0.00 0.00 52.55 54.01 2kgl s ASP 117 Cb 0.00 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.80 2kgl s ASP 117 CO 0.00 0.05 -0.10 -0.60 0.21 0.00 0.00 175.17 174.73 2kgl s ARG 118 N -2.49 1.45 -0.08 8.23 3.52 -1.19 -1.29 118.95 127.10 2kgl s ARG 118 Ca 0.40 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.69 2kgl s ARG 118 Cb -0.12 -1.24 0.02 0.00 -1.56 0.00 0.00 34.95 32.04 2kgl s ARG 118 CO 0.22 -0.00 -0.09 0.00 -0.81 0.00 0.00 175.30 174.62 2kgl s ALA 119 N 0.73 1.22 0.03 6.12 0.00 -0.58 -1.73 121.76 127.55 2kgl s ALA 119 Ca -0.14 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2kgl s ALA 119 Cb -0.15 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2kgl s ALA 119 CO 0.03 -0.15 -0.14 -1.50 0.00 0.00 0.00 175.76 173.99 2kgl s ILE 120 N 1.19 1.12 -0.03 0.00 2.07 -0.97 -2.14 121.20 122.44 2kgl s ILE 120 Ca -0.05 -0.95 0.03 0.00 -1.41 0.00 0.00 60.65 58.28 2kgl s ILE 120 Cb -0.14 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.44 2kgl s ILE 120 CO -0.02 0.05 -0.12 0.12 -1.91 0.00 0.00 174.94 173.06 2kgl s PHE 121 N -0.78 1.22 -0.17 3.50 2.19 -0.91 -3.09 117.98 119.94 2kgl s PHE 121 Ca 0.02 -0.31 -0.06 0.00 0.33 0.00 0.00 56.93 56.91 2kgl s PHE 121 Cb -0.08 -0.83 0.08 0.00 -1.31 0.00 0.00 43.02 40.88 2kgl s PHE 121 CO 0.01 -0.10 0.36 0.00 1.83 0.00 0.00 175.22 177.32 2kgl s MET 122 N 0.04 0.27 -0.01 10.12 0.23 -0.97 -1.98 119.30 127.00 2kgl s MET 122 Ca -0.02 0.88 -0.04 0.00 -1.03 0.00 0.00 55.69 55.49 2kgl s MET 122 Cb -0.09 0.14 0.00 0.00 -1.53 0.00 0.00 34.83 33.35 2kgl s MET 122 CO 0.01 -0.24 0.08 -1.17 -2.03 0.00 0.00 175.02 171.66 2kgl s LEU 123 N 2.30 1.75 0.44 0.18 0.20 -0.82 -2.30 118.68 120.43 2kgl s LEU 123 Ca -0.02 -0.08 0.10 0.00 0.69 0.00 0.00 54.13 54.81 2kgl s LEU 123 Cb -0.11 0.38 0.97 0.00 -0.43 0.00 0.00 46.19 46.99 2kgl s LEU 123 CO -0.11 -0.19 2.07 0.08 -0.29 0.00 0.00 176.35 177.91 2kgl h ARG 124 N 5.19 0.36 -7.31 1.98 0.11 -1.86 -2.78 114.38 110.06 2kgl h ARG 124 Ca -0.28 -0.03 -0.46 0.00 0.10 0.00 0.00 59.98 59.32 2kgl h ARG 124 Cb 1.20 -0.08 0.09 0.00 1.11 0.00 0.00 29.97 32.30 2kgl h ARG 124 CO 0.43 0.26 0.21 0.34 0.10 0.00 0.00 179.97 181.31 2kgl s ASP 125 N -6.81 4.37 0.00 0.08 -1.08 -1.26 -4.36 116.67 107.60 2kgl s ASP 125 Ca -0.07 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.09 2kgl s ASP 125 Cb 0.17 -0.60 0.00 0.00 -1.46 0.00 0.00 42.92 41.03 2kgl s ASP 125 CO 0.71 -1.87 0.00 0.61 0.52 0.00 0.00 175.17 175.14 2kgl n GLY 126 N -3.02 0.02 0.37 2.66 0.00 -1.23 -3.48 105.19 100.52 2kgl n GLY 126 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2kgl n GLY 126 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kgl h SER 127 N 0.00 -1.13 0.04 1.61 0.87 -1.96 0.12 113.55 113.10 2kgl h SER 127 Ca 0.00 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2kgl h SER 127 Cb 0.00 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2kgl h SER 127 CO 0.00 -0.43 -0.04 1.88 -0.53 0.00 0.00 176.83 177.72 2kgl h TYR 128 N -0.53 0.00 -0.32 2.24 -1.99 -1.98 -1.91 116.97 112.48 2kgl h TYR 128 Ca 0.06 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.64 2kgl h TYR 128 Cb 0.61 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 2kgl h TYR 128 CO -0.39 0.04 -0.40 0.00 -0.00 0.00 0.00 178.16 177.41 2kgl h ALA 129 N 1.96 0.69 -0.90 3.88 0.00 -1.31 -3.03 119.26 120.54 2kgl h ALA 129 Ca -0.00 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.52 2kgl h ALA 129 Cb 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2kgl h ALA 129 CO 0.01 0.67 0.57 -1.49 0.00 0.00 0.00 179.25 179.00 2kgl h TRP 130 N 0.64 1.06 -0.48 0.00 -0.00 -0.00 0.20 115.95 117.36 2kgl h TRP 130 Ca 0.05 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.93 2kgl h TRP 130 Cb 0.96 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 29.75 2kgl h TRP 130 CO 0.05 0.55 0.14 0.93 -0.00 0.00 0.00 178.44 180.11 2kgl h GLU 131 N 1.04 0.76 -0.10 0.49 5.08 -1.48 -2.80 114.58 117.57 2kgl h GLU 131 Ca 0.39 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2kgl h GLU 131 Cb 0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2kgl h GLU 131 CO -0.17 0.72 -0.47 0.82 -1.00 0.00 0.00 179.01 178.91 2kgl h ILE 132 N 0.65 1.33 0.09 3.13 1.08 -1.28 -3.11 117.51 119.40 2kgl h ILE 132 Ca 0.16 -1.67 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 2kgl h ILE 132 Cb 0.29 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.80 2kgl h ILE 132 CO -0.00 0.50 -0.24 0.50 -0.69 0.00 0.00 178.15 178.22 2kgl h LYS 133 N 0.20 -0.35 -0.71 2.37 1.63 -0.35 0.20 116.57 119.56 2kgl h LYS 133 Ca 0.01 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.01 2kgl h LYS 133 Cb 0.91 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.58 2kgl h LYS 133 CO 0.07 -0.23 0.49 0.22 -3.45 0.00 0.00 179.45 176.56 2kgl h ASP 134 N -0.36 0.17 0.40 4.20 1.82 -1.62 0.23 116.42 121.27 2kgl h ASP 134 Ca -0.01 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2kgl h ASP 134 Cb 0.35 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 2kgl h ASP 134 CO -0.11 0.08 -0.49 0.15 -1.61 0.00 0.00 179.24 177.26 2kgl h PHE 135 N 0.18 0.13 0.72 0.28 3.57 -1.20 -3.01 116.94 117.60 2kgl h PHE 135 Ca 0.35 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 2kgl h PHE 135 Cb 1.11 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.83 2kgl h PHE 135 CO -0.00 0.58 -0.34 1.25 -2.23 0.00 0.00 178.31 177.56 2kgl h LEU 136 N 0.09 -0.82 -2.00 0.59 6.46 0.26 -2.71 115.31 117.17 2kgl h LEU 136 Ca 0.00 0.03 0.21 0.00 -0.12 0.00 0.00 57.88 58.00 2kgl h LEU 136 Cb 0.90 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 2kgl h LEU 136 CO 0.07 -0.58 0.52 1.62 -0.62 0.00 0.00 178.44 179.45 2kgl h VAL 137 N -0.97 0.63 -0.85 1.05 3.04 -1.61 0.45 116.25 117.99 2kgl h VAL 137 Ca -0.10 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.82 2kgl h VAL 137 Cb 0.74 0.64 -0.04 0.00 -2.01 0.00 0.00 31.29 30.61 2kgl h VAL 137 CO 0.16 0.00 0.60 -1.28 -1.01 0.00 0.00 177.57 176.04 2kgl h SER 138 N 0.00 0.11 0.51 3.17 0.87 -1.34 -2.20 113.55 114.67 2kgl h SER 138 Ca 0.34 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 2kgl h SER 138 Cb 1.37 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2kgl h SER 138 CO -0.00 0.04 -0.24 1.56 -0.53 0.00 0.00 176.83 177.66 2kgl h GLN 139 N 0.11 -0.66 -1.26 2.24 4.20 -0.95 -3.39 115.11 115.41 2kgl h GLN 139 Ca 0.41 0.04 -0.35 0.00 0.06 0.00 0.00 58.65 58.82 2kgl h GLN 139 Cb 1.47 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 29.29 2kgl h GLN 139 CO -0.05 -0.43 -0.35 -3.47 -0.67 0.00 0.00 178.83 173.85 2kgl n ASP 140 N -5.23 -5.10 -2.54 1.46 2.03 -0.83 -4.74 116.55 101.61 2kgl n ASP 140 Ca -0.09 0.31 -0.03 0.00 0.52 0.00 0.00 54.79 55.51 2kgl n ASP 140 Cb 0.27 -4.14 -0.02 0.00 -0.72 0.00 0.00 41.12 36.51 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kgl n ARG 141 N -2.54 0.15 -3.75 -0.67 0.63 -0.90 -4.86 116.66 104.72 2kgl n ARG 141 Ca -0.18 -0.60 -0.13 0.00 -0.92 0.00 0.00 57.85 56.01 2kgl n ARG 141 Cb 0.59 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.41 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 -0.61 0.61 -0.13 0.00 0.00 -1.26 -0.07 121.76 120.30 2kgl s ALA 143 Ca -0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.72 2kgl s ALA 143 Cb -0.04 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.68 2kgl s ALA 143 CO 0.03 -0.07 0.40 -1.21 0.00 0.00 0.00 175.76 174.90 2kgl s GLU 144 N 1.04 0.52 -0.12 0.00 2.02 0.10 -3.88 118.70 118.38 2kgl s GLU 144 Ca -0.09 0.43 -0.10 0.00 0.02 0.00 0.00 54.97 55.23 2kgl s GLU 144 Cb -0.14 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.37 2kgl s GLU 144 CO -0.01 -0.08 0.30 0.14 0.02 0.00 0.00 175.26 175.63 2kgl s VAL 145 N -0.08 -0.01 -0.12 2.63 -7.23 -1.26 -1.31 120.40 113.02 2kgl s VAL 145 Ca -0.03 0.03 -0.01 0.00 -1.81 0.00 0.00 61.98 60.17 2kgl s VAL 145 Cb -0.03 -0.43 0.03 0.00 0.56 0.00 0.00 36.38 36.51 2kgl s VAL 145 CO 0.01 0.01 -0.04 0.42 -0.31 0.00 0.00 175.10 175.19 2kgl s THR 146 N 0.43 0.83 -0.01 5.32 -4.23 -0.12 -4.48 115.64 113.38 2kgl s THR 146 Ca -0.02 -0.26 -0.18 0.00 -1.18 0.00 0.00 61.69 60.05 2kgl s THR 146 Cb -0.04 -0.95 0.03 0.00 1.34 0.00 0.00 72.50 72.88 2kgl s THR 146 CO -0.02 0.25 0.38 -1.48 -0.54 0.00 0.00 174.62 173.21 2kgl s LEU 147 N 1.78 0.58 0.00 4.79 -0.00 -1.26 -3.39 118.68 121.18 2kgl s LEU 147 Ca 0.04 0.14 -0.15 0.00 -0.00 0.00 0.00 54.13 54.16 2kgl s LEU 147 Cb -0.13 1.52 0.06 0.00 -0.00 0.00 0.00 46.19 47.64 2kgl s LEU 147 CO -0.07 -0.52 0.79 1.21 -0.00 0.00 0.00 176.35 177.76 2kgl n GLU 148 N 1.05 1.13 -2.69 1.48 2.13 -1.26 -4.68 120.64 117.79 2kgl n GLU 148 Ca -0.21 -2.26 -0.02 0.00 0.66 0.00 0.00 57.16 55.33 2kgl n GLU 148 Cb 0.57 2.80 0.12 0.00 0.27 0.00 0.00 31.44 35.20 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kgl n GLY 149 N -0.54 1.95 0.00 8.31 0.00 -1.26 -4.71 105.19 108.94 2kgl n GLY 149 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2kgl n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kgl n GLN 150 N -1.33 0.00 -0.87 1.61 -0.06 -1.26 -4.98 117.38 110.49 2kgl n GLN 150 Ca -0.13 0.18 -0.02 0.00 -2.00 0.00 0.00 57.00 55.03 2kgl n GLN 150 Cb 0.87 -0.62 -0.01 0.00 -4.06 0.00 0.00 30.24 26.42 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 -0.20 0.00 0.00 177.06 176.74 2kgl n MET 151 N -1.43 0.08 -3.48 3.69 1.56 -1.13 -4.98 117.12 111.42 2kgl n MET 151 Ca 0.00 -0.32 -0.31 0.00 -0.27 0.00 0.00 57.70 56.80 2kgl n MET 151 Cb 0.00 0.43 -0.07 0.00 2.15 0.00 0.00 33.22 35.73 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2kgl n TYR 152 N -0.09 3.48 -1.21 1.12 4.01 0.95 -4.90 117.16 120.53 2kgl n TYR 152 Ca -0.08 -3.94 -0.30 0.00 -0.16 0.00 0.00 57.90 53.42 2kgl n TYR 152 Cb 0.43 -0.78 0.14 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.17 1.18 -0.02 -0.72 0.04 -1.15 -2.81 135.00 129.34 2kgl s PRO 153 Ca 0.34 0.78 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2kgl s PRO 153 Cb 0.06 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.85 2kgl s PRO 153 CO -0.04 -2.29 0.91 0.41 0.04 0.00 0.00 177.00 176.03 2kgl n GLY 154 N -1.14 1.74 0.09 0.56 0.00 -1.26 -3.98 105.19 101.20 2kgl n GLY 154 Ca 0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.81 2kgl n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgl h LYS 155 N 0.00 0.07 0.00 1.61 2.10 -1.88 -3.38 116.57 115.08 2kgl h LYS 155 Ca 0.00 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2kgl h LYS 155 Cb 0.78 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 2kgl h LYS 155 CO 0.00 0.97 0.00 0.41 -2.00 0.00 0.00 179.45 178.83 2kgl n GLY 156 N 1.16 0.45 0.00 0.07 0.00 -1.26 -4.46 105.19 101.15 2kgl n GLY 156 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N 0.00 2.06 0.00 -0.02 0.00 -1.26 -4.97 105.19 100.99 2kgl n GLY 157 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 0.00 2.74 0.10 -0.02 0.00 -1.26 -4.93 105.19 101.82 2kgl n GLY 158 Ca 0.00 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.12 -4.66 1.61 4.64 -1.94 -3.50 113.55 109.82 2kgl h SER 159 Ca 0.00 -0.82 0.01 0.00 -0.47 0.00 0.00 61.79 60.51 2kgl h SER 159 Cb 0.00 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 61.95 2kgl h SER 159 CO 0.00 1.31 -1.30 0.29 -0.87 0.00 0.00 176.83 176.26 2kgl n LYS 160 N -4.38 -3.76 0.00 4.77 4.76 -1.26 -4.96 118.16 113.33 2kgl n LYS 160 Ca -0.20 2.93 0.00 0.00 -2.87 0.00 0.00 58.31 58.17 2kgl n LYS 160 Cb 0.66 -4.43 0.00 0.00 -1.84 0.00 0.00 35.03 29.42 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2kgl n GLU 161 N 1.34 0.00 -4.38 1.97 0.00 -1.26 -4.96 120.64 113.34 2kgl n GLU 161 Ca -0.32 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.44 2kgl n GLU 161 Cb 0.50 -0.25 -0.06 0.00 0.00 0.00 0.00 31.44 31.63 2kgl n GLU 161 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 2kgl n LYS 162 N -1.48 -1.64 -4.07 5.31 2.85 -1.17 -4.90 118.16 113.06 2kgl n LYS 162 Ca 0.00 0.22 -0.35 0.00 -1.05 0.00 0.00 58.31 57.13 2kgl n LYS 162 Cb 0.00 -4.86 -0.13 0.00 -0.65 0.00 0.00 35.03 29.39 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2kgl s ASN 163 N -3.23 4.69 1.09 -5.58 -0.87 -1.25 -5.02 114.94 104.77 2kgl s ASN 163 Ca 0.79 -0.25 -0.18 0.00 -1.57 0.00 0.00 52.86 51.65 2kgl s ASN 163 Cb -0.45 -1.80 0.09 0.00 -0.02 0.00 0.00 41.25 39.07 2kgl s ASN 163 CO 0.97 0.05 0.02 0.29 -2.57 0.00 0.00 177.10 175.85 2kgl n LYS 164 N 4.35 -1.38 -3.33 -0.60 5.02 -1.26 -3.65 118.16 117.31 2kgl n LYS 164 Ca -0.17 -0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 55.59 2kgl n LYS 164 Cb 0.52 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 2kgl n LYS 164 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kgl s THR 165 N -2.25 -0.43 -0.03 -0.18 -4.23 -1.26 -4.85 115.64 102.42 2kgl s THR 165 Ca 0.56 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 60.03 2kgl s THR 165 Cb -0.13 -0.56 -0.09 0.00 1.34 0.00 0.00 72.50 73.07 2kgl s THR 165 CO 0.66 -0.50 0.68 0.11 -0.54 0.00 0.00 174.62 175.03 2kgl h LYS 166 N 6.97 -0.54 -0.08 3.99 1.79 -2.00 -2.34 116.57 124.36 2kgl h LYS 166 Ca 0.06 0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.45 2kgl h LYS 166 Cb 1.07 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 2kgl h LYS 166 CO 0.18 -0.36 -0.47 -1.00 -1.08 0.00 0.00 179.45 176.72 2kgl h PRO 167 N -1.07 0.19 0.00 3.15 0.13 -2.03 -2.81 132.00 129.56 2kgl h PRO 167 Ca -0.06 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2kgl h PRO 167 Cb 0.43 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2kgl h PRO 167 CO 0.09 0.62 -0.05 1.49 -0.23 0.00 0.00 178.00 179.93 2kgl h GLU 168 N 0.16 0.00 -0.27 0.86 4.57 -1.97 -3.13 114.58 114.80 2kgl h GLU 168 Ca 0.01 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 2kgl h GLU 168 Cb 0.88 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.40 2kgl h GLU 168 CO 0.07 0.05 -0.21 -0.22 -1.18 0.00 0.00 179.01 177.52 2kgl h LYS 169 N 0.00 -0.19 0.00 1.92 1.63 -1.14 -1.53 116.57 117.27 2kgl h LYS 169 Ca -0.00 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.67 2kgl h LYS 169 Cb 0.69 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 2kgl h LYS 169 CO 0.01 -0.13 -0.67 0.00 -3.45 0.00 0.00 179.45 175.21 2kgl h ALA 170 N 0.93 0.64 -0.02 5.00 0.00 -1.73 -3.14 119.26 120.94 2kgl h ALA 170 Ca 0.15 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2kgl h ALA 170 Cb 0.42 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2kgl h ALA 170 CO -0.38 0.84 -0.24 -0.22 0.00 0.00 0.00 179.25 179.24 2kgl h LYS 171 N 0.00 -0.35 -0.10 0.00 1.63 -1.25 0.19 116.57 116.69 2kgl h LYS 171 Ca -0.01 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 2kgl h LYS 171 Cb 1.42 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 33.11 2kgl h LYS 171 CO 0.09 -0.23 -0.41 -0.22 -3.45 0.00 0.00 179.45 175.23 2kgl h LYS 172 N -0.36 0.22 0.00 1.90 3.64 -1.46 -2.60 116.57 117.90 2kgl h LYS 172 Ca 0.07 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2kgl h LYS 172 Cb 0.45 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2kgl h LYS 172 CO -0.23 0.59 -0.19 0.87 -2.27 0.00 0.00 179.45 178.22 2kgl h LYS 173 N 0.18 0.00 0.05 1.90 1.79 -1.30 -3.15 116.57 116.05 2kgl h LYS 173 Ca 0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2kgl h LYS 173 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2kgl h LYS 173 CO 0.06 0.19 -0.03 0.93 -1.08 0.00 0.00 179.45 179.53 2kgl h GLU 174 N 0.00 -0.07 0.00 3.15 3.07 -0.25 -3.43 114.58 117.05 2kgl h GLU 174 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2kgl h GLU 174 Cb 0.60 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2kgl h GLU 174 CO 0.03 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.54 2kgl n GLY 175 N 0.59 3.47 0.29 -3.84 0.00 -1.18 -3.16 105.19 101.36 2kgl n GLY 175 Ca -0.09 -0.41 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.59 0.39 1.61 5.19 -1.82 -0.42 116.42 120.78 2kgl h ASP 176 Ca 0.00 0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.32 2kgl h ASP 176 Cb 0.00 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2kgl h ASP 176 CO 0.00 -0.20 -0.48 1.55 -3.12 0.00 0.00 179.24 176.99 2kgl h PRO 177 N -1.12 0.11 -2.11 3.56 0.13 -1.97 -3.38 132.00 127.23 2kgl h PRO 177 Ca -0.07 -0.06 -0.54 0.00 -0.87 0.00 0.00 66.00 64.46 2kgl h PRO 177 Cb 0.53 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.30 2kgl h PRO 177 CO 0.12 0.57 -0.96 1.63 -0.23 0.00 0.00 178.00 179.12 2kgl n LYS 178 N -3.97 0.35 -1.26 0.86 5.02 -1.25 -5.11 118.16 112.80 2kgl n LYS 178 Ca -0.02 -3.06 -0.31 0.00 -2.02 0.00 0.00 58.31 52.91 2kgl n LYS 178 Cb 0.51 -1.54 0.09 0.00 -0.02 0.00 0.00 35.03 34.07 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kgl s PRO 179 N -0.16 2.25 -0.95 1.97 0.04 -0.17 -4.25 135.00 133.73 2kgl s PRO 179 Ca 0.33 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 2kgl s PRO 179 Cb 0.07 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2kgl s PRO 179 CO -0.17 -1.65 0.82 0.54 0.04 0.00 0.00 177.00 176.59 2kgl n ARG 180 N -3.52 -1.80 0.00 4.56 5.12 -1.26 -4.86 116.66 114.90 2kgl n ARG 180 Ca 0.09 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 57.03 2kgl n ARG 180 Cb 0.53 -5.49 0.00 0.00 -1.16 0.00 0.00 32.46 26.34 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kgl n ALA 181 N -2.85 0.00 -0.36 7.54 0.00 -1.26 -4.95 120.51 118.63 2kgl n ALA 181 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.50 2kgl n ALA 181 Cb 0.58 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.33 2kgl n ALA 181 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kgl h SER 182 N 0.00 0.83 -1.01 0.00 4.64 -1.78 0.30 113.55 116.53 2kgl h SER 182 Ca 0.00 0.08 0.17 0.00 -0.47 0.00 0.00 61.79 61.58 2kgl h SER 182 Cb 0.00 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 61.92 2kgl h SER 182 CO 0.00 0.33 0.62 0.50 -0.87 0.00 0.00 176.83 177.41 2kgl h LYS 183 N 0.83 0.80 0.15 4.77 3.11 -1.85 0.23 116.57 124.61 2kgl h LYS 183 Ca 0.56 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 58.34 2kgl h LYS 183 Cb 0.79 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2kgl h LYS 183 CO -0.35 0.53 -0.07 0.93 -2.81 0.00 0.00 179.45 177.67 2kgl h GLU 184 N 0.82 -0.20 -0.66 1.90 4.39 -1.32 -2.57 114.58 116.94 2kgl h GLU 184 Ca 0.56 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.26 2kgl h GLU 184 Cb 0.80 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 2kgl h GLU 184 CO -0.35 -0.00 0.35 -0.44 -1.16 0.00 0.00 179.01 177.40 2kgl h ASP 185 N -0.36 0.84 -0.51 1.42 3.32 -1.22 -0.15 116.42 119.76 2kgl h ASP 185 Ca -0.02 -0.11 0.10 0.00 0.02 0.00 0.00 57.03 57.02 2kgl h ASP 185 Cb 0.29 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 39.54 2kgl h ASP 185 CO 0.03 0.71 0.01 -1.13 -1.72 0.00 0.00 179.24 177.14 2kgl h ASN 186 N 0.91 -0.20 1.31 6.45 -1.24 -0.50 0.15 115.58 122.46 2kgl h ASN 186 Ca 0.23 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.36 2kgl h ASN 186 Cb 0.07 0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.32 2kgl h ASN 186 CO -0.03 -0.07 -0.01 0.54 -1.29 0.00 0.00 177.43 176.57 2kgl n ARG 187 N -5.22 0.17 0.11 6.67 1.74 -0.98 -3.48 116.66 115.68 2kgl n ARG 187 Ca 0.06 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.34 2kgl n ARG 187 Cb 0.27 -1.70 0.52 0.00 -1.02 0.00 0.00 32.46 30.54 2kgl n ARG 187 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl h ALA 188 N 2.69 1.84 0.00 7.54 0.00 0.12 -3.45 119.26 128.00 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 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2kgl h ALA 188 CO 0.00 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.80 2kgl n GLY 189 N -1.50 -0.16 3.78 0.00 0.00 -1.19 -3.61 105.19 102.51 2kgl n GLY 189 Ca 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 2kgl n GLY 189 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kgl s SER 190 N 0.00 4.12 -0.92 1.61 0.01 -1.23 -3.01 113.70 114.28 2kgl s SER 190 Ca 0.00 -1.71 -0.04 0.00 1.31 0.00 0.00 55.95 55.51 2kgl s SER 190 Cb 0.00 0.68 -0.03 0.00 0.21 0.00 0.00 66.02 66.87 2kgl s SER 190 CO 0.00 -0.93 0.81 -1.14 0.41 0.00 0.00 173.24 172.39 2kgl n ARG 191 N -1.30 -1.77 -4.36 12.44 0.63 -1.26 -2.53 116.66 118.51 2kgl n ARG 191 Ca -0.21 1.10 -0.39 0.00 -0.92 0.00 0.00 57.85 57.44 2kgl n ARG 191 Cb 0.67 -5.59 -0.08 0.00 0.45 0.00 0.00 32.46 27.91 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 -2.66 -0.76 -0.01 -0.14 1.85 -1.26 -4.73 116.66 108.95 2kgl n ARG 192 Ca -0.05 0.12 -0.01 0.00 -1.00 0.00 0.00 57.85 56.92 2kgl n ARG 192 Cb 0.57 -4.29 -0.00 0.00 -1.05 0.00 0.00 32.46 27.69 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 -3.97 0.02 -3.73 2.89 4.07 -1.05 -5.02 120.64 113.85 2kgl n GLU 193 Ca 0.04 0.01 -0.29 0.00 -0.06 0.00 0.00 57.16 56.86 2kgl n GLU 193 Cb 0.47 -0.79 0.01 0.00 -0.06 0.00 0.00 31.44 31.07 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kgl n ASP 194 N -2.78 -4.46 0.00 4.31 2.03 -1.17 -4.90 116.55 109.59 2kgl n ASP 194 Ca -0.02 -0.66 0.00 0.00 0.52 0.00 0.00 54.79 54.63 2kgl n ASP 194 Cb 0.52 -3.60 0.00 0.00 -0.72 0.00 0.00 41.12 37.31 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17