#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 6.78 0.19 0.00 -4.77 -1.26 -5.03 116.67 112.57 2kgl s ASP 2 Ca 0.00 2.38 -0.04 0.00 -3.30 0.00 0.00 52.55 51.59 2kgl s ASP 2 Cb 0.00 -2.62 -0.05 0.00 -1.09 0.00 0.00 42.92 39.15 2kgl s ASP 2 CO 0.00 -0.50 0.42 0.42 0.70 0.00 0.00 175.17 176.21 2kgl s THR 3 N -1.31 5.13 0.90 2.11 -4.23 -1.26 -5.09 115.64 111.89 2kgl s THR 3 Ca 0.52 -0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.91 2kgl s THR 3 Cb -0.32 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 69.98 2kgl s THR 3 CO 0.41 -0.08 1.09 -2.16 -0.54 0.00 0.00 174.62 173.35 2kgl s PRO 4 N -2.97 1.24 -0.30 3.99 0.04 -1.26 -5.07 135.00 130.67 2kgl s PRO 4 Ca 0.42 0.81 0.01 0.00 0.04 0.00 0.00 61.00 62.27 2kgl s PRO 4 Cb -0.12 -1.81 0.19 0.00 0.04 0.00 0.00 34.50 32.81 2kgl s PRO 4 CO 0.26 -2.25 0.74 0.20 0.04 0.00 0.00 177.00 176.00 2kgl s GLY 5 N -3.43 -1.18 0.00 0.56 0.00 -1.26 -5.00 107.32 97.01 2kgl s GLY 5 Ca 0.63 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.67 2kgl s GLY 5 CO 0.57 3.83 0.00 1.18 0.00 0.00 0.00 173.10 178.68 2kgl n GLU 6 N 5.19 0.00 -2.63 2.90 1.02 -1.26 -5.02 120.64 120.84 2kgl n GLU 6 Ca 0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.79 2kgl n GLU 6 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.98 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kgl n ALA 7 N -1.14 5.58 -2.40 0.62 0.00 -1.26 -4.97 120.51 116.93 2kgl n ALA 7 Ca 0.00 -4.55 -0.30 0.00 0.00 0.00 0.00 53.44 48.60 2kgl n ALA 7 Cb 0.00 -2.56 -0.13 0.00 0.00 0.00 0.00 19.45 16.75 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 -1.90 2.36 0.96 0.00 -1.32 -1.26 -5.14 115.64 109.34 2kgl s THR 8 Ca 0.37 -1.54 -0.12 0.00 -1.21 0.00 0.00 61.69 59.20 2kgl s THR 8 Cb 0.10 -2.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.25 2kgl s THR 8 CO 0.02 0.21 1.09 -2.16 -2.21 0.00 0.00 174.62 171.57 2kgl s PRO 9 N -1.72 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.80 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 0.00 177.00 174.39 2kgl s PRO 10 N -4.95 0.74 -1.12 0.56 0.04 -1.26 -4.88 135.00 124.13 2kgl s PRO 10 Ca 0.65 0.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 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 1.58 0.25 0.56 -0.04 -1.26 -4.76 135.00 127.26 2kgl n PRO 11 Ca 0.06 -2.37 -0.16 0.00 -0.04 0.00 0.00 63.50 60.99 2kgl n PRO 11 Cb 0.56 -3.61 -0.08 0.00 -0.04 0.00 0.00 33.50 30.33 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 9.43 -0.56 0.00 0.54 -0.00 -2.02 -3.40 114.38 118.37 2kgl h ARG 12 Ca 0.25 0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.76 2kgl h ARG 12 Cb 0.90 0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.98 2kgl h ARG 12 CO 1.34 -0.37 -0.21 1.63 0.00 0.00 0.00 179.97 182.36 2kgl n LYS 13 N -5.34 0.00 0.11 0.04 5.02 -1.26 -4.89 118.16 111.84 2kgl n LYS 13 Ca -0.11 -0.44 -0.04 0.00 -2.02 0.00 0.00 58.31 55.70 2kgl n LYS 13 Cb 0.25 -0.14 -0.02 0.00 -0.02 0.00 0.00 35.03 35.10 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kgl h LYS 14 N 0.03 -0.27 -0.78 1.97 1.57 -1.79 -3.19 116.57 114.11 2kgl h LYS 14 Ca -0.04 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 2kgl h LYS 14 Cb 1.18 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.45 2kgl h LYS 14 CO -0.01 -0.18 0.21 1.17 -0.57 0.00 0.00 179.45 180.07 2kgl n LYS 15 N -2.78 3.48 -0.00 3.15 0.00 -1.26 -1.73 118.16 119.01 2kgl n LYS 15 Ca -0.03 -2.63 -0.10 0.00 0.00 0.00 0.00 58.31 55.55 2kgl n LYS 15 Cb 0.11 -2.10 -0.14 0.00 0.00 0.00 0.00 35.03 32.91 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 2.44 0.06 -4.82 3.14 3.58 -1.81 -3.48 116.42 115.53 2kgl h ASP 16 Ca 0.20 -0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2kgl h ASP 16 Cb 2.07 -0.02 -0.11 0.00 1.72 0.00 0.00 39.33 43.00 2kgl h ASP 16 CO 0.62 1.09 -1.43 -0.38 -2.88 0.00 0.00 179.24 176.26 2kgl n ILE 17 N -3.15-12.43 -1.66 2.25 -0.00 -1.25 -4.51 119.36 98.60 2kgl n ILE 17 Ca -0.15 2.69 -0.50 0.00 -0.00 0.00 0.00 62.75 64.80 2kgl n ILE 17 Cb 1.03 -6.32 -0.05 0.00 -0.00 0.00 0.00 39.64 34.30 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 1.62 1.93 -1.47 0.38 3.00 -1.26 0.12 116.66 120.98 2kgl n ARG 18 Ca -0.35 0.69 -0.16 0.00 -0.01 0.00 0.00 57.85 58.02 2kgl n ARG 18 Cb 0.54 -2.58 -0.07 0.00 0.00 0.00 0.00 32.46 30.35 2kgl n ARG 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kgl n ASP 19 N 6.99 -5.56 -2.65 0.55 9.92 -0.47 -0.11 116.55 125.23 2kgl n ASP 19 Ca 0.25 0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 54.78 2kgl n ASP 19 Cb 0.27 -4.49 -0.00 0.00 -0.64 0.00 0.00 41.12 36.26 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kgl n TYR 20 N -2.33 -1.56 0.00 1.24 9.36 0.12 -4.06 117.16 119.93 2kgl n TYR 20 Ca -0.16 0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.16 2kgl n TYR 20 Cb 0.63 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kgl n ASN 21 N -1.88 0.00 0.31 2.98 5.15 -0.89 -4.95 115.26 115.98 2kgl n ASN 21 Ca -0.10 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 54.07 2kgl n ASN 21 Cb 0.58 0.00 1.03 0.00 -0.53 0.00 0.00 39.78 40.87 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 -0.66 -2.76 116.42 115.94 2kgl h ASP 22 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.68 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 -0.43 0.00 -1.61 0.00 0.00 179.24 177.20 2kgl h ALA 23 N 1.79 -0.65 -0.66 -0.78 0.00 -1.69 -0.18 119.26 117.09 2kgl h ALA 23 Ca 0.01 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2kgl h ALA 23 Cb 0.25 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 18.73 2kgl h ALA 23 CO -0.00 -0.95 0.15 -0.44 0.00 0.00 0.00 179.25 178.00 2kgl h ASP 24 N -0.53 0.00 -0.28 0.00 3.32 -1.80 0.17 116.42 117.31 2kgl h ASP 24 Ca 0.06 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2kgl h ASP 24 Cb 0.64 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2kgl h ASP 24 CO -0.37 -0.01 0.17 0.24 -1.72 0.00 0.00 179.24 177.56 2kgl h MET 25 N 0.27 0.39 -0.95 3.56 2.86 -1.44 -2.07 114.93 117.55 2kgl h MET 25 Ca 0.35 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 58.11 2kgl h MET 25 Cb 0.56 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.05 2kgl h MET 25 CO -0.45 0.28 0.60 0.00 1.06 0.00 0.00 176.91 178.40 2kgl h ALA 26 N 1.79 1.71 -0.53 6.32 0.00 0.11 0.56 119.26 129.22 2kgl h ALA 26 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2kgl h ALA 26 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2kgl h ALA 26 CO -0.02 0.03 0.36 0.00 0.00 0.00 0.00 179.25 179.62 2kgl h ARG 27 N 0.81 0.41 -0.94 0.00 2.47 -1.32 -1.33 114.38 114.47 2kgl h ARG 27 Ca 0.48 -0.02 0.20 0.00 -1.26 0.00 0.00 59.98 59.38 2kgl h ARG 27 Cb 0.67 -0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 28.82 2kgl h ARG 27 CO -0.25 0.27 0.61 -0.07 0.56 0.00 0.00 179.97 181.09 2kgl h LEU 28 N 0.42 0.52 -1.07 3.04 3.38 -0.99 0.15 115.31 120.75 2kgl h LEU 28 Ca 0.24 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 2kgl h LEU 28 Cb 0.39 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2kgl h LEU 28 CO -0.06 0.20 0.54 0.25 0.09 0.00 0.00 178.44 179.46 2kgl h LEU 29 N 0.51 1.03 -0.89 1.67 6.46 -1.35 -1.86 115.31 120.89 2kgl h LEU 29 Ca 0.51 -0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 58.10 2kgl h LEU 29 Cb 1.11 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 2kgl h LEU 29 CO -0.24 0.78 -0.54 -0.33 -0.62 0.00 0.00 178.44 177.49 2kgl h GLU 30 N 1.20 0.00 -0.65 1.25 4.39 -0.84 -3.00 114.58 116.93 2kgl h GLU 30 Ca 0.32 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.16 2kgl h GLU 30 Cb -0.08 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2kgl h GLU 30 CO -0.06 0.54 0.44 1.96 -1.16 0.00 0.00 179.01 180.74 2kgl h GLN 31 N 0.00 0.26 -0.20 2.33 1.08 -0.73 -1.23 115.11 116.62 2kgl h GLN 31 Ca -0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 2kgl h GLN 31 Cb 0.98 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 2kgl h GLN 31 CO 0.07 0.17 0.05 -1.49 -0.95 0.00 0.00 178.83 176.69 2kgl h TRP 32 N 0.27 0.34 0.00 2.96 -0.00 -1.54 -2.51 115.95 115.47 2kgl h TRP 32 Ca 0.31 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.89 59.14 2kgl h TRP 32 Cb 0.85 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 29.91 2kgl h TRP 32 CO -0.00 0.43 -0.10 0.93 -0.00 0.00 0.00 178.44 179.70 2kgl h GLU 33 N 0.14 0.00 -0.16 0.49 5.08 -1.39 -2.42 114.58 116.33 2kgl h GLU 33 Ca 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 2kgl h GLU 33 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2kgl h GLU 33 CO 0.00 0.10 -0.53 -0.22 -1.00 0.00 0.00 179.01 177.36 2kgl h LYS 34 N 0.00 0.46 -1.16 2.33 3.11 -0.94 -2.57 116.57 117.80 2kgl h LYS 34 Ca -0.00 -0.28 0.33 0.00 -2.81 0.00 0.00 60.65 57.89 2kgl h LYS 34 Cb 0.37 0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.54 2kgl h LYS 34 CO 0.01 0.87 0.78 0.22 -2.81 0.00 0.00 179.45 178.53 2kgl h ASP 35 N 0.36 0.25 0.00 4.20 3.58 -1.17 0.61 116.42 124.25 2kgl h ASP 35 Ca 0.01 0.06 -0.28 0.00 0.42 0.00 0.00 57.03 57.25 2kgl h ASP 35 Cb 1.04 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.08 2kgl h ASP 35 CO 0.09 0.01 -1.50 -0.67 -2.88 0.00 0.00 179.24 174.29 2kgl n ASP 36 N -4.47 1.88 0.00 2.28 -0.08 -1.16 -4.67 116.55 110.33 2kgl n ASP 36 Ca 0.28 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.96 2kgl n ASP 36 Cb 1.12 -0.94 0.00 0.00 2.34 0.00 0.00 41.12 43.64 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kgl n ASP 37 N -4.38 0.00 -2.28 1.67 -0.08 -0.76 -5.03 116.55 105.69 2kgl n ASP 37 Ca -0.36 0.81 -0.00 0.00 -1.51 0.00 0.00 54.79 53.73 2kgl n ASP 37 Cb 0.72 -0.47 -0.00 0.00 2.34 0.00 0.00 41.12 43.71 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2kgl n ILE 38 N -1.92 -8.48 0.00 5.18 5.41 0.20 -5.05 119.36 114.70 2kgl n ILE 38 Ca 0.00 1.21 0.00 0.00 1.00 0.00 0.00 62.75 64.96 2kgl n ILE 38 Cb 0.00 -5.88 0.00 0.00 -0.71 0.00 0.00 39.64 33.05 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 0.47 0.00 -1.94 0.38 -0.58 -1.26 -5.12 120.64 112.59 2kgl n GLU 39 Ca -0.01 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2kgl n GLU 39 Cb 0.01 -0.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.43 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 -2.18 0.00 0.00 3.49 2.13 -1.26 -5.09 120.64 117.73 2kgl n GLU 40 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kgl n GLU 40 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kgl n GLY 41 N 0.00 0.10 3.12 8.31 0.00 -1.26 -4.27 105.19 111.18 2kgl n GLY 41 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 2kgl n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kgl n ASP 42 N -0.72 -7.51 -3.56 1.61 8.00 -1.26 -0.09 116.55 113.02 2kgl n ASP 42 Ca 0.00 -0.22 -0.27 0.00 0.71 0.00 0.00 54.79 55.01 2kgl n ASP 42 Cb 0.00 -5.22 -0.09 0.00 -0.02 0.00 0.00 41.12 35.78 2kgl n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kgl n LEU 43 N -2.10 2.95 0.10 0.64 -0.00 -1.25 -3.27 117.00 114.07 2kgl n LEU 43 Ca -0.02 -5.24 -0.02 0.00 -0.00 0.00 0.00 56.01 50.73 2kgl n LEU 43 Cb 0.53 -0.51 0.21 0.00 -0.00 0.00 0.00 43.42 43.65 2kgl n LEU 43 CO 0.55 1.95 0.60 1.55 -0.00 0.00 0.00 177.39 182.04 2kgl h PRO 44 N 4.65 0.20 -5.58 1.47 0.13 -1.94 -3.49 132.00 127.44 2kgl h PRO 44 Ca 0.18 -0.11 -0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2kgl h PRO 44 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2kgl h PRO 44 CO 0.74 0.63 -0.99 0.39 -0.23 0.00 0.00 178.00 178.53 2kgl n GLU 45 N -3.98 -2.37 0.00 0.86 1.02 -1.26 -4.99 120.64 109.91 2kgl n GLU 45 Ca -0.02 2.08 0.00 0.00 -0.02 0.00 0.00 57.16 59.21 2kgl n GLU 45 Cb 0.51 -3.86 0.00 0.00 -0.02 0.00 0.00 31.44 28.07 2kgl n GLU 45 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kgl n HIS 46 N 0.88 0.00 0.00 -0.32 1.44 -1.26 -5.06 115.22 110.89 2kgl n HIS 46 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kgl n HIS 46 Cb 0.19 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.30 2kgl n HIS 46 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kgl n LYS 47 N -2.48 0.00 -3.27 -1.40 5.02 -1.26 -5.08 118.16 109.69 2kgl n LYS 47 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2kgl n LYS 47 Cb 0.47 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.49 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -2.62 -1.74 -2.10 1.97 5.12 -1.26 -4.64 116.66 111.39 2kgl n ARG 48 Ca 0.00 1.45 -0.43 0.00 -1.93 0.00 0.00 57.85 56.94 2kgl n ARG 48 Cb 0.00 -4.25 -0.03 0.00 -1.16 0.00 0.00 32.46 27.03 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 -3.30 3.58 -0.07 5.56 0.04 -1.26 -4.88 135.00 134.66 2kgl s PRO 49 Ca 0.13 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2kgl s PRO 49 Cb -0.02 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2kgl s PRO 49 CO 0.81 -1.56 -0.06 -1.12 0.04 0.00 0.00 177.00 175.11 2kgl s SER 50 N 4.93 4.73 0.26 6.66 0.01 -1.26 -5.13 113.70 123.90 2kgl s SER 50 Ca 0.73 -0.00 0.10 0.00 1.31 0.00 0.00 55.95 58.09 2kgl s SER 50 Cb -0.22 -1.23 -0.05 0.00 0.21 0.00 0.00 66.02 64.73 2kgl s SER 50 CO 0.32 0.36 -0.16 0.00 0.41 0.00 0.00 173.24 174.16 2kgl s ALA 51 N -0.79 2.50 -1.12 1.44 0.00 -1.26 -4.64 121.76 117.90 2kgl s ALA 51 Ca 0.12 -1.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.02 2kgl s ALA 51 Cb -0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 2kgl s ALA 51 CO 0.02 0.16 1.93 -0.35 0.00 0.00 0.00 175.76 177.52 2kgl n PRO 52 N -0.56 1.57 -0.77 0.00 -0.04 -1.26 -4.64 135.00 129.29 2kgl n PRO 52 Ca -0.06 -2.36 -0.02 0.00 -0.04 0.00 0.00 63.50 61.02 2kgl n PRO 52 Cb 0.61 -3.60 0.25 0.00 -0.04 0.00 0.00 33.50 30.72 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 7.53 2.62 -2.30 0.52 -5.35 -1.26 -5.00 119.36 116.13 2kgl n ILE 53 Ca 0.46 -2.06 -0.26 0.00 -0.27 0.00 0.00 62.75 60.61 2kgl n ILE 53 Cb 0.46 -0.32 0.16 0.00 -1.74 0.00 0.00 39.64 38.20 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2kgl n ASP 54 N -0.62 0.78 -0.09 7.28 5.68 -1.26 -5.03 116.55 123.29 2kgl n ASP 54 Ca 0.33 -1.85 -0.13 0.00 -0.50 0.00 0.00 54.79 52.65 2kgl n ASP 54 Cb 1.14 -0.83 -0.06 0.00 -1.14 0.00 0.00 41.12 40.22 2kgl n ASP 54 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2kgl n PHE 55 N -3.34 0.97 -3.19 2.11 3.01 -1.26 -5.04 117.46 110.72 2kgl n PHE 55 Ca 0.17 0.42 -0.09 0.00 1.01 0.00 0.00 57.45 58.95 2kgl n PHE 55 Cb 0.59 -0.93 0.04 0.00 -0.01 0.00 0.00 39.48 39.18 2kgl n PHE 55 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2kgl n SER 56 N -4.53 -7.07 -2.34 4.37 7.64 -1.25 -4.96 113.62 105.48 2kgl n SER 56 Ca -0.19 -0.46 -0.02 0.00 1.01 0.00 0.00 58.87 59.21 2kgl n SER 56 Cb 0.46 -5.14 -0.01 0.00 -1.01 0.00 0.00 64.21 58.50 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 57 N -2.64 0.14 0.00 1.43 3.00 -1.26 -5.05 118.16 113.77 2kgl n LYS 57 Ca -0.04 -0.49 0.00 0.00 -0.00 0.00 0.00 58.31 57.78 2kgl n LYS 57 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.61 2kgl n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2kgl n LEU 58 N -0.41 0.70 -4.72 3.14 7.94 -1.26 -5.02 117.00 117.37 2kgl n LEU 58 Ca -0.21 0.13 -0.23 0.00 -1.11 0.00 0.00 56.01 54.60 2kgl n LEU 58 Cb 0.61 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 44.23 2kgl n LEU 58 CO -0.09 -0.26 -0.26 -1.81 -1.11 0.00 0.00 177.39 173.86 2kgl s ASP 59 N -2.32 4.92 -1.13 1.96 1.11 -1.26 -5.03 116.67 114.92 2kgl s ASP 59 Ca 0.00 -0.51 -0.23 0.00 0.18 0.00 0.00 52.55 52.00 2kgl s ASP 59 Cb 0.00 -1.04 -0.10 0.00 1.07 0.00 0.00 42.92 42.85 2kgl s ASP 59 CO 0.00 -0.04 1.93 -0.81 1.18 0.00 0.00 175.17 177.43 2kgl n PRO 60 N -1.02 1.58 -3.69 8.23 -0.04 -1.26 -4.86 135.00 133.93 2kgl n PRO 60 Ca -0.07 -2.38 -0.17 0.00 -0.04 0.00 0.00 63.50 60.84 2kgl n PRO 60 Cb 0.59 -3.63 -0.16 0.00 -0.04 0.00 0.00 33.50 30.26 2kgl n PRO 60 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kgl s GLY 61 N 6.29 0.08 -0.46 0.55 0.00 -1.26 -5.05 107.32 107.47 2kgl s GLY 61 Ca 0.67 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.91 2kgl s GLY 61 CO 0.14 1.41 0.97 0.28 0.00 0.00 0.00 173.10 175.90 2kgl n LYS 62 N 5.04 0.73 -1.14 2.90 5.02 -1.26 -5.02 118.16 124.42 2kgl n LYS 62 Ca -0.10 -1.63 -0.29 0.00 -2.02 0.00 0.00 58.31 54.28 2kgl n LYS 62 Cb 0.50 -1.24 0.19 0.00 -0.02 0.00 0.00 35.03 34.47 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kgl s PRO 63 N 0.56 0.00 0.26 1.97 0.04 -1.26 -4.97 135.00 131.60 2kgl s PRO 63 Ca 0.30 0.37 0.14 0.00 0.04 0.00 0.00 61.00 61.85 2kgl s PRO 63 Cb 0.24 -1.70 0.04 0.00 0.04 0.00 0.00 34.50 33.11 2kgl s PRO 63 CO -0.20 -2.99 1.43 0.93 0.04 0.00 0.00 177.00 176.21 2kgl h GLU 64 N -2.07 0.00 -0.24 4.56 5.08 -2.01 -3.23 114.58 116.66 2kgl h GLU 64 Ca -0.53 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 57.90 2kgl h GLU 64 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2kgl h GLU 64 CO 0.53 0.56 0.26 0.66 -1.00 0.00 0.00 179.01 180.02 2kgl h SER 65 N 0.00 0.00 -0.81 1.42 4.64 -1.93 -0.81 113.55 116.06 2kgl h SER 65 Ca -0.01 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.47 2kgl h SER 65 Cb 1.43 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.46 2kgl h SER 65 CO 0.07 0.00 0.53 0.40 -0.87 0.00 0.00 176.83 176.97 2kgl h ILE 66 N 0.00 0.79 0.00 0.95 1.08 -1.95 0.24 117.51 118.62 2kgl h ILE 66 Ca 0.11 -0.16 -0.07 0.00 -0.39 0.00 0.00 64.86 64.34 2kgl h ILE 66 Cb 0.63 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 2kgl h ILE 66 CO -0.00 0.09 -0.35 -0.07 -0.69 0.00 0.00 178.15 177.12 2kgl h LEU 67 N 0.48 0.00 -2.25 1.44 3.38 -1.40 -2.79 115.31 114.17 2kgl h LEU 67 Ca 0.40 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.42 2kgl h LEU 67 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2kgl h LEU 67 CO -0.15 0.35 0.21 0.50 0.09 0.00 0.00 178.44 179.45 2kgl h LYS 68 N 0.00 0.00 -0.66 1.13 3.64 -0.63 -0.92 116.57 119.13 2kgl h LYS 68 Ca -0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 2kgl h LYS 68 Cb 0.77 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2kgl h LYS 68 CO 0.05 0.00 0.51 0.52 -2.27 0.00 0.00 179.45 178.25 2kgl h MET 69 N 0.00 0.00 -6.74 1.90 2.86 -1.56 -3.43 114.93 107.96 2kgl h MET 69 Ca 0.08 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.17 2kgl h MET 69 Cb 0.49 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 31.86 2kgl h MET 69 CO -0.00 0.00 -0.82 -2.37 1.06 0.00 0.00 176.91 174.78 2kgl n THR 70 N -4.20 -0.28 -2.44 2.22 5.66 -0.35 -3.21 114.28 111.68 2kgl n THR 70 Ca 0.13 -0.14 -0.05 0.00 -3.05 0.00 0.00 64.05 60.94 2kgl n THR 70 Cb 0.76 -0.58 -0.04 0.00 -1.55 0.00 0.00 70.33 68.92 2kgl n THR 70 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2kgl n LYS 71 N -3.79 -3.91 0.00 1.09 5.02 -1.26 -4.32 118.16 110.98 2kgl n LYS 71 Ca -0.02 3.02 0.00 0.00 -2.02 0.00 0.00 58.31 59.29 2kgl n LYS 71 Cb 0.47 -4.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 2kgl n LYS 71 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kgl n LYS 72 N 1.40 0.00 0.00 1.97 3.00 -1.20 -4.97 118.16 118.37 2kgl n LYS 72 Ca -0.34 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2kgl n LYS 72 Cb 0.53 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.35 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kgl n GLY 73 N -0.42 -2.03 3.26 3.14 0.00 -1.26 -5.03 105.19 102.85 2kgl n GLY 73 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.56 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 0.59 0.15 1.61 2.20 -1.26 -0.09 119.74 122.94 2kgl s LYS 74 Ca 0.00 0.12 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 2kgl s LYS 74 Cb 0.00 0.27 0.04 0.00 -1.51 0.00 0.00 37.83 36.63 2kgl s LYS 74 CO 0.00 -0.13 0.09 0.25 -0.36 0.00 0.00 175.35 175.19 2kgl n THR 75 N 1.93 0.00 -4.01 3.43 -2.24 -1.26 -4.67 114.28 107.47 2kgl n THR 75 Ca -0.18 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2kgl n THR 75 Cb 0.57 -0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kgl s LEU 76 N 0.00 2.29 -0.30 3.22 -0.00 -1.26 -4.54 118.68 118.09 2kgl s LEU 76 Ca 0.07 -0.60 -0.10 0.00 -0.00 0.00 0.00 54.13 53.51 2kgl s LEU 76 Cb -0.01 0.10 0.13 0.00 -0.00 0.00 0.00 46.19 46.42 2kgl s LEU 76 CO 0.06 -0.35 0.65 0.00 -0.00 0.00 0.00 176.35 176.71 2kgl s MET 77 N -1.92 0.57 -0.14 1.48 0.23 -1.20 -3.17 119.30 115.14 2kgl s MET 77 Ca -0.11 1.42 -0.09 0.00 -1.03 0.00 0.00 55.69 55.88 2kgl s MET 77 Cb -0.07 0.85 0.05 0.00 -1.53 0.00 0.00 34.83 34.14 2kgl s MET 77 CO -0.03 -0.22 0.36 1.41 -2.03 0.00 0.00 175.02 174.51 2kgl s MET 78 N 2.89 0.36 -0.13 3.16 0.00 -0.99 -2.09 119.30 122.50 2kgl s MET 78 Ca -0.05 0.65 -0.04 0.00 0.00 0.00 0.00 55.69 56.25 2kgl s MET 78 Cb -0.12 0.02 0.07 0.00 0.00 0.00 0.00 34.83 34.79 2kgl s MET 78 CO -0.19 -0.13 0.25 -0.06 0.00 0.00 0.00 175.02 174.89 2kgl s PHE 79 N 1.02 -0.38 -0.22 4.11 0.08 -0.27 -2.89 117.98 119.42 2kgl s PHE 79 Ca -0.07 0.85 -0.10 0.00 0.12 0.00 0.00 56.93 57.73 2kgl s PHE 79 Cb -0.07 -0.10 0.08 0.00 -0.57 0.00 0.00 43.02 42.36 2kgl s PHE 79 CO -0.08 -0.37 0.51 0.54 -0.10 0.00 0.00 175.22 175.72 2kgl s VAL 80 N 2.40 -0.29 -0.62 -0.44 0.11 -1.19 -0.97 120.40 119.39 2kgl s VAL 80 Ca 0.02 0.08 -0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2kgl s VAL 80 Cb -0.12 -0.77 0.16 0.00 -1.53 0.00 0.00 36.38 34.12 2kgl s VAL 80 CO -0.08 0.03 0.42 0.28 -3.33 0.00 0.00 175.10 172.42 2kgl s THR 81 N 1.94 3.39 -0.19 5.04 -1.32 0.18 -2.19 115.64 122.49 2kgl s THR 81 Ca -0.07 -3.24 -0.32 0.00 -1.21 0.00 0.00 61.69 56.85 2kgl s THR 81 Cb -0.09 -3.23 0.14 0.00 -1.51 0.00 0.00 72.50 67.81 2kgl s THR 81 CO -0.15 -0.88 1.16 0.54 -2.21 0.00 0.00 174.62 173.07 2kgl s VAL 82 N -0.34 0.00 -0.68 5.08 0.11 0.83 -2.54 120.40 122.86 2kgl s VAL 82 Ca 0.18 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.97 2kgl s VAL 82 Cb -0.20 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2kgl s VAL 82 CO -0.04 0.00 1.55 -0.44 -3.33 0.00 0.00 175.10 172.84 2kgl s SER 83 N -1.67 5.76 0.00 3.54 0.01 -1.26 -3.15 113.70 116.94 2kgl s SER 83 Ca 0.06 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2kgl s SER 83 Cb -0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2kgl s SER 83 CO -0.04 -2.08 0.00 0.61 0.41 0.00 0.00 173.24 172.14 2kgl n GLY 84 N 5.52 1.18 0.00 3.44 0.00 -1.26 -4.78 105.19 109.28 2kgl n GLY 84 Ca 0.11 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -0.30 0.00 -4.55 1.61 4.05 -1.26 -4.77 115.26 110.04 2kgl n ASN 85 Ca 0.00 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.66 2kgl n ASN 85 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 2kgl n ASN 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2kgl s PRO 86 N -0.65 2.61 0.00 1.20 0.04 -1.26 -4.46 135.00 132.48 2kgl s PRO 86 Ca 0.00 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2kgl s PRO 86 Cb 0.00 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2kgl s PRO 86 CO 0.00 -2.81 0.55 0.25 0.04 0.00 0.00 177.00 175.03 2kgl n THR 87 N 7.28 0.00 -0.19 1.26 -2.24 -1.26 -4.90 114.28 114.24 2kgl n THR 87 Ca 0.22 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2kgl n THR 87 Cb 0.52 0.23 0.08 0.00 -2.10 0.00 0.00 70.33 69.06 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kgl h GLU 88 N 0.00 0.11 0.01 -0.78 -0.00 -1.93 0.30 114.58 112.29 2kgl h GLU 88 Ca -0.26 -0.01 -0.19 0.00 -0.00 0.00 0.00 59.36 58.90 2kgl h GLU 88 Cb 0.96 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 29.67 2kgl h GLU 88 CO -0.13 0.07 -0.89 1.57 -0.00 0.00 0.00 179.01 179.63 2kgl h LYS 89 N 0.11 0.13 0.09 1.06 2.10 -1.98 -2.86 116.57 115.21 2kgl h LYS 89 Ca 0.29 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2kgl h LYS 89 Cb 0.46 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 2kgl h LYS 89 CO -0.49 0.93 -0.04 0.93 -2.00 0.00 0.00 179.45 178.78 2kgl h GLU 90 N 0.07 -0.11 -0.13 0.07 4.39 -1.51 -1.43 114.58 115.92 2kgl h GLU 90 Ca -0.04 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 2kgl h GLU 90 Cb 1.53 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.19 2kgl h GLU 90 CO 0.13 0.06 -0.19 0.00 -1.16 0.00 0.00 179.01 177.85 2kgl h THR 91 N -0.27 1.20 0.00 1.13 1.03 -0.57 -2.21 112.91 113.23 2kgl h THR 91 Ca -0.01 -0.92 -0.10 0.00 -0.01 0.00 0.00 66.41 65.37 2kgl h THR 91 Cb 0.23 1.31 -0.01 0.00 -1.07 0.00 0.00 68.15 68.60 2kgl h THR 91 CO 0.02 0.28 -0.47 -0.08 -0.01 0.00 0.00 175.52 175.27 2kgl h GLU 92 N 0.21 0.00 0.00 0.00 4.81 -1.27 -2.76 114.58 115.57 2kgl h GLU 92 Ca 0.04 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2kgl h GLU 92 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 2kgl h GLU 92 CO 0.03 0.47 -0.29 0.93 -0.73 0.00 0.00 179.01 179.41 2kgl h GLU 93 N 0.00 0.00 -1.05 1.92 4.39 -0.67 -3.28 114.58 115.89 2kgl h GLU 93 Ca -0.00 0.00 0.30 0.00 0.34 0.00 0.00 59.36 60.00 2kgl h GLU 93 Cb 0.86 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 2kgl h GLU 93 CO 0.06 0.21 0.78 0.82 -1.16 0.00 0.00 179.01 179.73 2kgl h ILE 94 N 0.00 0.42 -0.50 3.13 1.08 -1.13 0.22 117.51 120.73 2kgl h ILE 94 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 2kgl h ILE 94 Cb 1.17 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 2kgl h ILE 94 CO 0.03 0.00 0.21 0.00 -0.69 0.00 0.00 178.15 177.70 2kgl h THR 95 N 0.00 1.21 -0.10 -0.27 1.03 -1.73 0.45 112.91 113.50 2kgl h THR 95 Ca 0.50 -0.63 -0.05 0.00 -0.01 0.00 0.00 66.41 66.22 2kgl h THR 95 Cb 2.06 0.69 -0.00 0.00 -1.07 0.00 0.00 68.15 69.83 2kgl h THR 95 CO -0.01 0.24 -0.13 0.28 -0.01 0.00 0.00 175.52 175.90 2kgl h SER 96 N 0.66 0.28 -0.59 0.00 0.02 -0.83 -3.20 113.55 109.89 2kgl h SER 96 Ca 0.17 -0.52 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 2kgl h SER 96 Cb 0.17 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2kgl h SER 96 CO -0.02 0.74 0.10 -0.07 -1.14 0.00 0.00 176.83 176.44 2kgl h LEU 97 N -0.18 0.96 -1.41 5.07 3.38 -1.35 -2.67 115.31 119.11 2kgl h LEU 97 Ca 0.01 -0.22 0.21 0.00 0.09 0.00 0.00 57.88 57.97 2kgl h LEU 97 Cb 0.67 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 2kgl h LEU 97 CO 0.03 0.96 0.61 -0.25 0.09 0.00 0.00 178.44 179.88 2kgl h TRP 98 N 0.95 0.64 -0.95 1.13 7.01 -0.11 0.92 115.95 125.53 2kgl h TRP 98 Ca 0.19 0.02 0.20 0.00 2.11 0.00 0.00 58.89 61.41 2kgl h TRP 98 Cb 0.42 -0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.20 2kgl h TRP 98 CO 0.03 0.16 0.61 1.96 -2.79 0.00 0.00 178.44 178.41 2kgl h GLN 99 N 0.47 0.53 0.28 2.65 4.20 -1.47 0.16 115.11 121.93 2kgl h GLN 99 Ca 0.50 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.16 2kgl h GLN 99 Cb 1.15 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2kgl h GLN 99 CO -0.22 0.35 -0.13 0.78 -0.67 0.00 0.00 178.83 178.94 2kgl h GLY 100 N 0.55 -0.39 1.70 3.46 0.00 -0.96 -3.22 103.07 104.20 2kgl h GLY 100 Ca 0.52 0.14 0.04 0.00 0.00 0.00 0.00 47.33 48.04 2kgl h GLY 100 CO -0.26 -0.14 0.11 0.23 0.00 0.00 0.00 176.54 176.48 2kgl h SER 101 N -0.91 0.00 -0.88 0.19 0.87 -1.40 -1.51 113.55 109.91 2kgl h SER 101 Ca -0.04 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.68 2kgl h SER 101 Cb 0.51 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 2kgl h SER 101 CO 0.06 0.00 0.57 0.25 -0.53 0.00 0.00 176.83 177.18 2kgl h LEU 102 N 0.00 0.60 -1.63 2.23 7.12 -0.71 0.51 115.31 123.43 2kgl h LEU 102 Ca 0.07 0.04 0.18 0.00 0.13 0.00 0.00 57.88 58.31 2kgl h LEU 102 Cb 0.29 -0.08 -0.05 0.00 -0.53 0.00 0.00 40.66 40.29 2kgl h LEU 102 CO -0.00 0.29 0.55 0.15 -0.13 0.00 0.00 178.44 179.30 2kgl h PHE 103 N 0.63 0.41 -0.13 1.25 3.04 -1.35 0.27 116.94 121.06 2kgl h PHE 103 Ca 0.45 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.45 2kgl h PHE 103 Cb 0.80 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 2kgl h PHE 103 CO -0.00 0.13 0.19 -0.97 -2.02 0.00 0.00 178.31 175.64 2kgl h ASN 104 N 0.33 0.00 -0.42 0.41 -1.24 -1.05 -3.45 115.58 110.17 2kgl h ASN 104 Ca 0.41 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.24 2kgl h ASN 104 Cb 1.09 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.07 2kgl h ASN 104 CO -0.12 0.00 -0.16 0.00 -1.29 0.00 0.00 177.43 175.86 2kgl n ALA 105 N -2.24 -0.13 -2.14 1.57 0.00 0.93 -3.88 120.51 114.62 2kgl n ALA 105 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 2kgl n ALA 105 Cb 0.29 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.72 -0.01 -4.21 0.00 5.15 -1.26 -4.73 115.26 109.47 2kgl n ASN 106 Ca -0.09 -1.77 -0.31 0.00 -0.60 0.00 0.00 54.58 51.81 2kgl n ASN 106 Cb 0.47 -0.04 0.18 0.00 -0.53 0.00 0.00 39.78 39.86 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgl n TYR 107 N 0.14 -1.51 -3.76 1.20 4.11 -1.26 -4.17 117.16 111.91 2kgl n TYR 107 Ca -0.06 0.11 -0.16 0.00 -0.00 0.00 0.00 57.90 57.78 2kgl n TYR 107 Cb 0.78 -1.54 -0.16 0.00 -0.00 0.00 0.00 39.34 38.41 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2kgl s ASP 108 N -1.86 0.35 -0.21 9.48 -1.08 -1.16 -4.85 116.67 117.34 2kgl s ASP 108 Ca 0.55 0.04 -0.07 0.00 -0.52 0.00 0.00 52.55 52.55 2kgl s ASP 108 Cb -0.11 -0.10 0.10 0.00 -1.46 0.00 0.00 42.92 41.35 2kgl s ASP 108 CO 0.64 -0.16 0.45 0.68 0.52 0.00 0.00 175.17 177.30 2kgl s VAL 109 N 1.34 -0.70 -0.16 1.11 -7.23 -1.26 -2.45 120.40 111.05 2kgl s VAL 109 Ca -0.06 0.14 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 2kgl s VAL 109 Cb -0.13 -0.71 0.07 0.00 0.56 0.00 0.00 36.38 36.16 2kgl s VAL 109 CO -0.03 0.06 0.36 -1.58 -0.31 0.00 0.00 175.10 173.60 2kgl s GLN 110 N 2.65 0.30 0.12 4.82 -0.44 -0.58 -4.49 119.66 122.04 2kgl s GLN 110 Ca -0.02 0.80 0.10 0.00 -2.50 0.00 0.00 55.36 53.74 2kgl s GLN 110 Cb -0.12 0.05 -0.04 0.00 -1.64 0.00 0.00 33.01 31.26 2kgl s GLN 110 CO -0.14 -0.20 -0.24 -0.98 0.50 0.00 0.00 175.29 174.23 2kgl s ARG 111 N 1.86 1.28 0.04 1.67 3.03 -0.70 -2.14 118.95 123.98 2kgl s ARG 111 Ca -0.06 -1.26 0.05 0.00 2.03 0.00 0.00 55.73 56.50 2kgl s ARG 111 Cb -0.10 -1.66 -0.02 0.00 -1.03 0.00 0.00 34.95 32.13 2kgl s ARG 111 CO -0.11 0.39 -0.14 0.12 -1.13 0.00 0.00 175.30 174.43 2kgl s PHE 112 N -1.10 1.24 -0.11 5.89 5.36 -0.87 -4.32 117.98 124.07 2kgl s PHE 112 Ca 0.10 -0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2kgl s PHE 112 Cb -0.10 -0.74 0.02 0.00 -0.34 0.00 0.00 43.02 41.87 2kgl s PHE 112 CO 0.05 0.03 -0.08 0.96 -1.46 0.00 0.00 175.22 174.72 2kgl s ILE 113 N -0.82 1.05 -0.04 3.12 -4.36 -1.26 -3.12 121.20 115.76 2kgl s ILE 113 Ca 0.02 -0.32 -0.09 0.00 -0.26 0.00 0.00 60.65 60.00 2kgl s ILE 113 Cb -0.08 -1.05 0.02 0.00 1.25 0.00 0.00 42.46 42.60 2kgl s ILE 113 CO 0.01 0.37 0.22 -0.69 0.24 0.00 0.00 174.94 175.09 2kgl s VAL 114 N 1.58 0.04 0.56 8.37 1.01 -0.99 -5.03 120.40 125.94 2kgl s VAL 114 Ca 0.03 -0.33 0.30 0.00 0.00 0.00 0.00 61.98 61.98 2kgl s VAL 114 Cb -0.13 -0.43 0.44 0.00 0.00 0.00 0.00 36.38 36.26 2kgl s VAL 114 CO -0.07 -0.18 1.88 1.23 0.00 0.00 0.00 175.10 177.96 2kgl h GLY 115 N 4.88 0.00 0.63 4.51 0.00 -2.05 -0.74 103.07 110.29 2kgl h GLY 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2kgl h GLY 115 CO 0.38 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.66 2kgl h SER 116 N 0.00 0.10 -2.17 0.19 0.02 -2.04 -3.49 113.55 106.17 2kgl h SER 116 Ca 0.34 -0.43 0.23 0.00 -0.84 0.00 0.00 61.79 61.09 2kgl h SER 116 Cb 1.51 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 2kgl h SER 116 CO -0.00 0.51 0.67 -0.90 -1.14 0.00 0.00 176.83 175.96 2kgl n ASP 117 N -4.81 -1.34 -4.10 3.07 5.68 -0.28 -4.70 116.55 110.06 2kgl n ASP 117 Ca -0.08 -1.54 -0.21 0.00 -0.50 0.00 0.00 54.79 52.46 2kgl n ASP 117 Cb 0.25 2.14 -0.15 0.00 -1.14 0.00 0.00 41.12 42.22 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2kgl s ARG 118 N -2.03 1.04 -0.00 0.11 3.00 -1.19 -2.35 118.95 117.53 2kgl s ARG 118 Ca 0.24 -0.52 0.02 0.00 0.00 0.00 0.00 55.73 55.47 2kgl s ARG 118 Cb -0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 34.95 33.92 2kgl s ARG 118 CO 0.02 0.27 -0.08 0.00 0.00 0.00 0.00 175.30 175.52 2kgl s ALA 119 N -0.41 0.66 -0.06 2.13 0.00 -1.18 -0.12 121.76 122.78 2kgl s ALA 119 Ca 0.04 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.66 2kgl s ALA 119 Cb -0.06 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2kgl s ALA 119 CO -0.00 0.16 -0.11 -1.50 0.00 0.00 0.00 175.76 174.30 2kgl s ILE 120 N -0.24 1.02 -0.12 0.00 1.10 -0.93 -2.04 121.20 119.99 2kgl s ILE 120 Ca 0.03 -0.42 -0.01 0.00 -0.51 0.00 0.00 60.65 59.74 2kgl s ILE 120 Cb -0.03 -0.94 0.03 0.00 0.15 0.00 0.00 42.46 41.67 2kgl s ILE 120 CO -0.00 0.33 -0.06 0.12 -2.11 0.00 0.00 174.94 173.21 2kgl s PHE 121 N 0.62 1.45 -0.17 3.50 5.36 -0.91 -3.18 117.98 124.65 2kgl s PHE 121 Ca -0.13 -0.76 -0.08 0.00 -0.96 0.00 0.00 56.93 55.00 2kgl s PHE 121 Cb -0.15 -1.21 0.07 0.00 -0.34 0.00 0.00 43.02 41.39 2kgl s PHE 121 CO 0.03 -0.52 0.40 0.00 -1.46 0.00 0.00 175.22 173.66 2kgl s MET 122 N 1.72 0.34 -0.02 10.12 0.23 -1.14 -1.53 119.30 129.02 2kgl s MET 122 Ca 0.04 0.86 -0.16 0.00 -1.03 0.00 0.00 55.69 55.40 2kgl s MET 122 Cb -0.13 0.09 0.03 0.00 -1.53 0.00 0.00 34.83 33.29 2kgl s MET 122 CO -0.08 -0.20 0.33 -1.17 -2.03 0.00 0.00 175.02 171.88 2kgl s LEU 123 N 1.88 0.76 0.45 0.18 2.96 -1.03 -2.35 118.68 121.53 2kgl s LEU 123 Ca -0.06 0.12 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 2kgl s LEU 123 Cb -0.10 1.35 1.00 0.00 0.50 0.00 0.00 46.19 48.94 2kgl s LEU 123 CO -0.12 -0.46 2.08 0.08 -1.32 0.00 0.00 176.35 176.61 2kgl h ARG 124 N 3.80 0.36 0.00 1.98 0.11 -1.86 -3.06 114.38 115.71 2kgl h ARG 124 Ca -0.29 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.63 2kgl h ARG 124 Cb 1.17 -0.08 0.06 0.00 1.11 0.00 0.00 29.97 32.23 2kgl h ARG 124 CO 0.40 0.24 0.08 -0.25 0.10 0.00 0.00 179.97 180.54 2kgl n ASP 125 N -4.49 -0.67 0.00 0.08 9.92 -1.26 -4.37 116.55 115.75 2kgl n ASP 125 Ca 0.02 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.35 2kgl n ASP 125 Cb 0.09 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 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 1.22 -0.13 0.32 0.44 0.00 -1.26 -3.31 105.19 102.46 2kgl n GLY 126 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.93 0.23 1.61 0.02 -1.97 0.25 113.55 114.61 2kgl h SER 127 Ca 0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2kgl h SER 127 Cb 0.00 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2kgl h SER 127 CO 0.00 0.87 -0.11 0.22 -1.14 0.00 0.00 176.83 176.67 2kgl h TYR 128 N 0.97 -0.28 -0.31 3.45 5.03 -1.99 -3.13 116.97 120.70 2kgl h TYR 128 Ca 0.21 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.47 2kgl h TYR 128 Cb 0.28 0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 2kgl h TYR 128 CO 0.02 0.08 0.00 0.00 -1.32 0.00 0.00 178.16 176.95 2kgl h ALA 129 N -0.12 1.44 -0.23 1.82 0.00 -1.84 -2.98 119.26 117.35 2kgl h ALA 129 Ca -0.03 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2kgl h ALA 129 Cb 0.49 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 2kgl h ALA 129 CO 0.05 0.40 -0.23 2.35 0.00 0.00 0.00 179.25 181.82 2kgl h TRP 130 N 0.45 -0.60 -0.73 0.00 2.91 -0.50 0.15 115.95 117.63 2kgl h TRP 130 Ca 0.10 0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.21 2kgl h TRP 130 Cb 0.29 0.30 -0.05 0.00 -0.51 0.00 0.00 29.16 29.19 2kgl h TRP 130 CO 0.01 -0.31 0.44 1.49 -1.03 0.00 0.00 178.44 179.04 2kgl h GLU 131 N -0.24 0.80 -0.07 2.65 4.22 -1.47 -1.25 114.58 119.22 2kgl h GLU 131 Ca 0.13 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 2kgl h GLU 131 Cb 0.44 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2kgl h GLU 131 CO -0.37 0.53 -0.18 0.82 -2.18 0.00 0.00 179.01 177.62 2kgl h ILE 132 N 0.83 1.17 0.49 2.32 1.08 -1.24 -3.12 117.51 119.05 2kgl h ILE 132 Ca 0.31 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.98 2kgl h ILE 132 Cb 0.12 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 2kgl h ILE 132 CO -0.15 0.24 -0.51 0.50 -0.69 0.00 0.00 178.15 177.54 2kgl h LYS 133 N 0.11 -0.97 -1.00 2.37 3.11 0.51 0.26 116.57 120.96 2kgl h LYS 133 Ca 0.02 0.07 0.18 0.00 -2.81 0.00 0.00 60.65 58.11 2kgl h LYS 133 Cb 0.40 0.22 -0.10 0.00 -1.00 0.00 0.00 32.23 31.75 2kgl h LYS 133 CO 0.03 -0.65 0.62 0.22 -2.81 0.00 0.00 179.45 176.86 2kgl h ASP 134 N -1.01 0.77 0.51 4.20 3.58 -1.49 0.25 116.42 123.24 2kgl h ASP 134 Ca -0.06 0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.37 2kgl h ASP 134 Cb 0.88 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2kgl h ASP 134 CO -0.07 0.30 -0.50 -0.26 -2.88 0.00 0.00 179.24 175.84 2kgl h PHE 135 N 0.77 0.00 0.39 0.28 -1.00 -1.35 -2.82 116.94 113.21 2kgl h PHE 135 Ca 0.55 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.32 2kgl h PHE 135 Cb 0.86 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.42 2kgl h PHE 135 CO -0.00 0.50 -0.19 1.25 -1.61 0.00 0.00 178.31 178.26 2kgl h LEU 136 N 0.00 -0.44 -2.00 1.54 7.12 0.30 -3.05 115.31 118.78 2kgl h LEU 136 Ca -0.00 0.02 0.23 0.00 0.13 0.00 0.00 57.88 58.25 2kgl h LEU 136 Cb 0.89 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.10 2kgl h LEU 136 CO 0.06 -0.26 0.57 -0.37 -0.13 0.00 0.00 178.44 178.32 2kgl h VAL 137 N -0.64 0.60 -0.16 1.05 -1.51 -1.52 0.25 116.25 114.31 2kgl h VAL 137 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2kgl h VAL 137 Cb 0.40 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 2kgl h VAL 137 CO 0.09 0.00 0.11 -1.28 -1.23 0.00 0.00 177.57 175.26 2kgl h SER 138 N 0.00 0.18 0.45 4.19 0.87 -1.39 -2.73 113.55 115.11 2kgl h SER 138 Ca 0.38 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2kgl h SER 138 Cb 1.51 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2kgl h SER 138 CO -0.00 0.13 -0.22 -0.61 -0.53 0.00 0.00 176.83 175.60 2kgl h GLN 139 N 0.21 -0.58 -1.00 2.24 4.15 -0.43 -3.41 115.11 116.27 2kgl h GLN 139 Ca 0.06 0.04 -0.35 0.00 0.77 0.00 0.00 58.65 59.17 2kgl h GLN 139 Cb -0.01 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 27.69 2kgl h GLN 139 CO -0.01 -0.39 -0.33 -3.47 -1.93 0.00 0.00 178.83 172.69 2kgl n ASP 140 N -5.35 -5.07 -2.66 -0.69 2.03 -1.03 -4.77 116.55 99.01 2kgl n ASP 140 Ca -0.11 0.37 -0.03 0.00 0.52 0.00 0.00 54.79 55.54 2kgl n ASP 140 Cb 0.26 -4.09 0.08 0.00 -0.72 0.00 0.00 41.12 36.65 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 -2.52 0.18 -3.83 -0.67 0.63 -1.05 -4.86 116.66 104.54 2kgl n ARG 141 Ca -0.18 -0.74 -0.12 0.00 -0.92 0.00 0.00 57.85 55.90 2kgl n ARG 141 Cb 0.57 -0.13 -0.11 0.00 0.45 0.00 0.00 32.46 33.25 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 -0.66 0.63 -0.15 0.00 0.00 -1.26 -0.65 121.76 119.68 2kgl s ALA 143 Ca -0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 2kgl s ALA 143 Cb -0.04 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.39 2kgl s ALA 143 CO 0.01 -0.47 0.37 -1.21 0.00 0.00 0.00 175.76 174.46 2kgl s GLU 144 N 2.00 0.37 -0.14 0.00 2.02 -0.15 -4.19 118.70 118.61 2kgl s GLU 144 Ca 0.05 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 55.59 2kgl s GLU 144 Cb -0.12 0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.18 2kgl s GLU 144 CO -0.05 -0.13 0.37 0.54 0.02 0.00 0.00 175.26 176.01 2kgl s VAL 145 N 1.00 -0.01 -0.15 2.63 0.11 0.88 -1.12 120.40 123.73 2kgl s VAL 145 Ca -0.06 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2kgl s VAL 145 Cb -0.07 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 34.31 2kgl s VAL 145 CO -0.08 0.02 0.36 0.42 -3.33 0.00 0.00 175.10 172.49 2kgl s THR 146 N 0.62 -0.08 0.02 5.04 -4.23 -0.89 -3.85 115.64 112.28 2kgl s THR 146 Ca -0.03 0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.45 2kgl s THR 146 Cb -0.05 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.27 2kgl s THR 146 CO -0.04 0.05 0.32 -1.48 -0.54 0.00 0.00 174.62 172.93 2kgl s LEU 147 N 1.47 0.80 0.39 4.79 -0.00 -1.26 -3.25 118.68 121.61 2kgl s LEU 147 Ca -0.09 -0.07 -0.14 0.00 -0.00 0.00 0.00 54.13 53.84 2kgl s LEU 147 Cb -0.09 1.38 0.05 0.00 -0.00 0.00 0.00 46.19 47.53 2kgl s LEU 147 CO -0.11 -0.57 0.76 -0.70 -0.00 0.00 0.00 176.35 175.73 2kgl s GLU 148 N -2.13 2.23 -0.40 1.48 2.56 -1.26 -4.81 118.70 116.38 2kgl s GLU 148 Ca -0.08 -1.50 0.06 0.00 0.00 0.00 0.00 54.97 53.44 2kgl s GLU 148 Cb -0.02 0.61 0.31 0.00 2.00 0.00 0.00 34.13 37.02 2kgl s GLU 148 CO -0.01 -1.03 1.23 0.41 -0.56 0.00 0.00 175.26 175.30 2kgl n GLY 149 N -0.54 0.03 0.00 -1.50 0.00 -1.26 -4.43 105.19 97.49 2kgl n GLY 149 Ca -0.08 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.13 0.00 -2.67 1.61 6.02 -1.26 -4.84 117.38 116.36 2kgl n GLN 150 Ca -0.02 0.13 -0.04 0.00 -0.01 0.00 0.00 57.00 57.05 2kgl n GLN 150 Cb 0.74 -0.54 0.06 0.00 1.02 0.00 0.00 30.24 31.51 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2kgl n MET 151 N -1.24 0.13 -2.67 -1.09 0.00 -1.25 -4.95 117.12 106.04 2kgl n MET 151 Ca 0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 57.70 56.90 2kgl n MET 151 Cb 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 33.22 33.19 2kgl n MET 151 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2kgl n TYR 152 N 1.97 -0.54 -1.13 1.12 4.19 0.87 -5.04 117.16 118.60 2kgl n TYR 152 Ca 0.06 -0.72 -0.29 0.00 3.31 0.00 0.00 57.90 60.26 2kgl n TYR 152 Cb 0.68 1.11 0.20 0.00 0.49 0.00 0.00 39.34 41.82 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2kgl s PRO 153 N 0.10 -0.20 0.34 2.98 0.04 0.14 -4.09 135.00 134.30 2kgl s PRO 153 Ca 0.25 0.30 0.26 0.00 0.04 0.00 0.00 61.00 61.86 2kgl s PRO 153 Cb 0.22 -1.68 0.91 0.00 0.04 0.00 0.00 34.50 33.99 2kgl s PRO 153 CO -0.10 -3.11 1.77 0.78 0.04 0.00 0.00 177.00 176.38 2kgl h GLY 154 N -2.16 0.00 0.16 0.56 0.00 -1.87 -3.30 103.07 96.46 2kgl h GLY 154 Ca -0.52 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.84 2kgl h GLY 154 CO 0.50 0.00 -0.41 1.70 0.00 0.00 0.00 176.54 178.33 2kgl h LYS 155 N 0.00 -0.54 0.00 4.80 3.64 -1.93 -3.37 116.57 119.17 2kgl h LYS 155 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2kgl h LYS 155 Cb 0.60 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2kgl h LYS 155 CO 0.00 -0.36 0.00 0.41 -2.27 0.00 0.00 179.45 177.23 2kgl n GLY 156 N -1.45 2.04 0.42 5.01 0.00 -1.24 -4.74 105.19 105.23 2kgl n GLY 156 Ca -0.06 -0.32 0.23 0.00 0.00 0.00 0.00 46.02 45.87 2kgl n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kgl h GLY 157 N 0.00 0.45 -6.07 -0.02 0.00 -1.94 -3.46 103.07 92.04 2kgl h GLY 157 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 47.33 46.84 2kgl h GLY 157 CO 0.00 -0.00 -0.92 0.61 0.00 0.00 0.00 176.54 176.23 2kgl n GLY 158 N -1.60 -0.97 0.06 4.60 0.00 -1.26 -4.95 105.19 101.06 2kgl n GLY 158 Ca 0.18 0.46 -0.05 0.00 0.00 0.00 0.00 46.02 46.61 2kgl n GLY 158 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 159 N -1.73 0.00 -5.97 1.61 0.02 -1.94 -3.49 113.55 102.05 2kgl h SER 159 Ca -0.65 -0.22 -0.25 0.00 -0.84 0.00 0.00 61.79 59.84 2kgl h SER 159 Cb 1.35 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.92 2kgl h SER 159 CO 0.48 0.69 -0.56 1.17 -1.14 0.00 0.00 176.83 177.47 2kgl n LYS 160 N -4.70 -1.41 -0.08 3.45 4.81 -1.26 -4.95 118.16 114.02 2kgl n LYS 160 Ca -0.05 1.05 -0.10 0.00 -0.87 0.00 0.00 58.31 58.34 2kgl n LYS 160 Cb 0.17 -4.35 -0.08 0.00 0.02 0.00 0.00 35.03 30.79 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kgl n GLU 161 N -2.54 0.64 -2.45 1.64 2.13 -1.26 -4.97 120.64 113.83 2kgl n GLU 161 Ca -0.12 0.08 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 2kgl n GLU 161 Cb 0.58 -1.31 -0.03 0.00 0.27 0.00 0.00 31.44 30.95 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2kgl n LYS 162 N -2.88 -3.66 -3.86 5.31 4.81 -1.26 -5.03 118.16 111.59 2kgl n LYS 162 Ca -0.27 2.86 -0.23 0.00 -0.87 0.00 0.00 58.31 59.80 2kgl n LYS 162 Cb 0.81 -4.52 -0.17 0.00 0.02 0.00 0.00 35.03 31.17 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2kgl s ASN 163 N -0.78 1.64 0.44 3.14 2.47 -1.26 -5.07 114.94 115.51 2kgl s ASN 163 Ca -0.18 -0.14 -0.23 0.00 0.42 0.00 0.00 52.86 52.73 2kgl s ASN 163 Cb 0.01 -0.53 -0.10 0.00 -1.45 0.00 0.00 41.25 39.18 2kgl s ASN 163 CO 0.67 -0.16 0.93 0.29 -3.72 0.00 0.00 177.10 175.12 2kgl n LYS 164 N 4.95 1.19 -3.45 0.43 5.02 -1.26 -4.61 118.16 120.42 2kgl n LYS 164 Ca -0.11 0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 56.33 2kgl n LYS 164 Cb 0.50 -1.97 -0.12 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.33 0.11 -0.02 -0.18 -4.23 -1.26 -5.02 115.64 103.72 2kgl s THR 165 Ca 0.64 -1.68 -0.18 0.00 -1.18 0.00 0.00 61.69 59.29 2kgl s THR 165 Cb -0.55 -1.09 -0.10 0.00 1.34 0.00 0.00 72.50 72.10 2kgl s THR 165 CO 0.56 -0.97 0.78 0.11 -0.54 0.00 0.00 174.62 174.56 2kgl h LYS 166 N 7.00 -0.63 -0.07 3.99 1.57 -1.99 -0.80 116.57 125.64 2kgl h LYS 166 Ca 0.06 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 2kgl h LYS 166 Cb 0.97 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2kgl h LYS 166 CO 0.26 -0.42 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.25 2kgl h PRO 167 N -1.12 0.16 0.00 3.15 0.13 -2.02 -2.94 132.00 129.37 2kgl h PRO 167 Ca -0.07 -0.09 -0.10 0.00 -0.87 0.00 0.00 66.00 64.87 2kgl h PRO 167 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2kgl h PRO 167 CO 0.11 0.60 -0.49 1.49 -0.23 0.00 0.00 178.00 179.48 2kgl h GLU 168 N 0.13 0.00 -0.28 0.86 4.57 -1.96 -3.12 114.58 114.78 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 29.41 2kgl h GLU 168 CO 0.07 0.49 -0.15 0.87 -1.18 0.00 0.00 179.01 179.11 2kgl h LYS 169 N 0.00 -0.11 -0.01 1.92 1.57 -0.94 -1.53 116.57 117.47 2kgl h LYS 169 Ca -0.00 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2kgl h LYS 169 Cb 1.21 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2kgl h LYS 169 CO 0.06 -0.07 -0.70 0.00 -0.57 0.00 0.00 179.45 178.17 2kgl h ALA 170 N 1.09 0.84 -0.72 3.86 0.00 -1.68 -3.12 119.26 119.53 2kgl h ALA 170 Ca 0.15 -0.63 0.13 0.00 0.00 0.00 0.00 54.91 54.56 2kgl h ALA 170 Cb 0.34 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 2kgl h ALA 170 CO -0.35 0.86 0.28 -0.22 0.00 0.00 0.00 179.25 179.81 2kgl h LYS 171 N 0.02 0.42 -0.00 0.00 1.63 -1.23 0.19 116.57 117.60 2kgl h LYS 171 Ca -0.01 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.60 2kgl h LYS 171 Cb 1.23 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.74 2kgl h LYS 171 CO 0.09 0.28 -0.76 0.87 -3.45 0.00 0.00 179.45 176.48 2kgl h LYS 172 N 0.43 0.01 0.00 1.90 1.79 -1.46 -3.08 116.57 116.17 2kgl h LYS 172 Ca 0.39 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.77 2kgl h LYS 172 Cb 0.57 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2kgl h LYS 172 CO -0.39 0.77 -0.39 0.87 -1.08 0.00 0.00 179.45 179.24 2kgl h LYS 173 N 0.01 0.00 0.00 3.15 1.57 -0.93 -2.94 116.57 117.43 2kgl h LYS 173 Ca -0.01 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 2kgl h LYS 173 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2kgl h LYS 173 CO 0.10 0.39 -0.88 0.93 -0.57 0.00 0.00 179.45 179.41 2kgl h GLU 174 N 0.00 0.21 0.00 3.15 5.08 -0.65 -3.47 114.58 118.90 2kgl h GLU 174 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2kgl h GLU 174 Cb 0.82 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2kgl h GLU 174 CO 0.05 0.96 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 2kgl n GLY 175 N 0.88 0.69 0.34 -3.84 0.00 -1.11 -4.09 105.19 98.05 2kgl n GLY 175 Ca -0.04 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.68 -0.21 1.61 5.19 -1.78 -1.71 116.42 118.84 2kgl h ASP 176 Ca 0.00 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 56.35 2kgl h ASP 176 Cb 0.00 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.68 2kgl h ASP 176 CO 0.00 -0.31 -0.21 1.55 -3.12 0.00 0.00 179.24 177.15 2kgl h PRO 177 N -1.16 0.51 -2.29 3.56 0.13 -1.96 -3.36 132.00 127.44 2kgl h PRO 177 Ca -0.08 -0.27 -0.61 0.00 -0.87 0.00 0.00 66.00 64.17 2kgl h PRO 177 Cb 0.62 0.01 -0.42 0.00 0.13 0.00 0.00 31.00 31.34 2kgl h PRO 177 CO 0.14 0.85 -0.55 1.63 -0.23 0.00 0.00 178.00 179.84 2kgl n LYS 178 N -4.42 2.53 -1.22 0.86 4.76 -1.26 -5.08 118.16 114.33 2kgl n LYS 178 Ca -0.05 -4.66 -0.30 0.00 -2.87 0.00 0.00 58.31 50.43 2kgl n LYS 178 Cb 0.41 -2.27 0.12 0.00 -1.84 0.00 0.00 35.03 31.45 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kgl s PRO 179 N -2.41 1.59 -1.48 1.97 0.04 -0.64 -3.47 135.00 130.59 2kgl s PRO 179 Ca 0.38 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2kgl s PRO 179 Cb 0.13 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2kgl s PRO 179 CO -0.02 -2.05 0.00 -2.13 0.04 0.00 0.00 177.00 172.84 2kgl n ARG 180 N -3.77 -1.77 -0.05 4.56 0.63 -1.26 -4.79 116.66 110.22 2kgl n ARG 180 Ca 0.08 0.83 -0.07 0.00 -0.92 0.00 0.00 57.85 57.77 2kgl n ARG 180 Cb 0.54 -5.35 -0.06 0.00 0.45 0.00 0.00 32.46 28.05 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 -1.10 1.77 -0.35 5.13 0.00 -1.23 -4.62 120.51 120.11 2kgl n ALA 181 Ca -0.18 -0.49 0.12 0.00 0.00 0.00 0.00 53.44 52.88 2kgl n ALA 181 Cb 0.60 0.20 0.30 0.00 0.00 0.00 0.00 19.45 20.55 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 0.82 -0.49 0.00 4.64 -1.78 0.50 113.55 117.23 2kgl h SER 182 Ca -0.24 0.08 0.09 0.00 -0.47 0.00 0.00 61.79 61.26 2kgl h SER 182 Cb 1.42 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 63.36 2kgl h SER 182 CO -0.02 0.33 0.01 0.50 -0.87 0.00 0.00 176.83 176.78 2kgl h LYS 183 N 0.82 0.12 -0.09 4.77 3.11 -1.92 -0.07 116.57 123.32 2kgl h LYS 183 Ca 0.56 -0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 58.21 2kgl h LYS 183 Cb 0.80 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.01 2kgl h LYS 183 CO -0.35 0.08 -0.65 0.93 -2.81 0.00 0.00 179.45 176.65 2kgl h GLU 184 N 0.13 0.60 -1.00 1.90 5.08 -1.46 -2.79 114.58 117.04 2kgl h GLU 184 Ca 0.25 -0.52 0.17 0.00 -1.00 0.00 0.00 59.36 58.26 2kgl h GLU 184 Cb 0.37 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.64 2kgl h GLU 184 CO -0.40 1.15 0.62 -0.44 -1.00 0.00 0.00 179.01 178.93 2kgl h ASP 185 N 0.23 0.81 -0.09 1.42 3.32 -0.36 -0.58 116.42 121.18 2kgl h ASP 185 Ca -0.06 0.08 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 2kgl h ASP 185 Cb 1.30 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.79 2kgl h ASP 185 CO 0.13 0.33 -0.79 -1.13 -1.72 0.00 0.00 179.24 176.06 2kgl h ASN 186 N 0.81 0.89 -0.78 6.45 -1.24 -1.04 -1.21 115.58 119.47 2kgl h ASN 186 Ca 0.55 -0.59 0.17 0.00 0.71 0.00 0.00 56.30 57.14 2kgl h ASN 186 Cb 0.80 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 39.54 2kgl h ASN 186 CO -0.34 1.39 0.52 -0.09 -1.29 0.00 0.00 177.43 177.62 2kgl h ARG 187 N 0.50 0.33 0.00 6.67 2.43 -0.83 -3.11 114.38 120.37 2kgl h ARG 187 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2kgl h ARG 187 Cb 1.42 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 2kgl h ARG 187 CO 0.16 0.22 0.00 0.00 -1.51 0.00 0.00 179.97 178.84 2kgl n ALA 188 N -2.55 -0.12 -0.94 2.80 0.00 -0.93 -4.78 120.51 114.01 2kgl n ALA 188 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kgl n ALA 188 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 1.25 -3.96 0.11 0.00 0.00 -1.17 -2.26 105.19 99.15 2kgl n GLY 189 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N -0.92 2.03 -2.54 1.61 2.88 -1.26 -1.40 113.62 114.02 2kgl n SER 190 Ca 0.00 -1.07 -0.01 0.00 -1.33 0.00 0.00 58.87 56.47 2kgl n SER 190 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kgl n ARG 191 N -0.05 -2.91 -3.05 -1.46 0.63 -1.26 -4.19 116.66 104.37 2kgl n ARG 191 Ca -0.01 2.41 -0.19 0.00 -0.92 0.00 0.00 57.85 59.14 2kgl n ARG 191 Cb 0.02 -4.75 0.04 0.00 0.45 0.00 0.00 32.46 28.22 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kgl n ARG 192 N 0.53 -4.91 0.00 -0.14 1.74 -1.26 -4.81 116.66 107.80 2kgl n ARG 192 Ca 0.01 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 2kgl n ARG 192 Cb 0.03 -5.36 0.00 0.00 -1.02 0.00 0.00 32.46 26.10 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kgl n GLU 193 N -3.76 0.00 -2.96 5.56 1.02 -1.26 -5.11 120.64 114.12 2kgl n GLU 193 Ca -0.07 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.02 2kgl n GLU 193 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.01 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kgl n ASP 194 N -1.84 -7.35 0.00 1.62 2.03 -0.49 -4.98 116.55 105.54 2kgl n ASP 194 Ca 0.00 0.83 0.00 0.00 0.52 0.00 0.00 54.79 56.14 2kgl n ASP 194 Cb 0.00 -3.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.51 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17