#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi n LYS 2 N 0.00 0.00 0.02 2.89 0.00 -1.26 -4.93 118.16 114.88 2kmi n LYS 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 2kmi n LYS 2 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 2kmi n LYS 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kmi n LYS 3 N -1.50 0.63 -2.74 1.64 5.02 -1.26 -4.78 118.16 115.17 2kmi n LYS 3 Ca 0.00 0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2kmi n LYS 3 Cb 0.00 -1.78 0.02 0.00 -0.02 0.00 0.00 35.03 33.25 2kmi n LYS 3 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kmi s LYS 4 N -2.91 0.67 -0.43 1.97 1.02 -1.26 -4.94 119.74 113.86 2kmi s LYS 4 Ca -0.04 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 2kmi s LYS 4 Cb 0.09 -0.02 0.09 0.00 -0.52 0.00 0.00 37.83 37.46 2kmi s LYS 4 CO 0.82 -0.83 2.65 -3.47 -0.92 0.00 0.00 175.35 173.60 2kmi n ASP 5 N 2.87 6.48 -3.94 2.83 2.03 -1.23 -4.45 116.55 121.15 2kmi n ASP 5 Ca 0.15 -3.19 -0.30 0.00 0.52 0.00 0.00 54.79 51.97 2kmi n ASP 5 Cb 0.60 -1.20 0.23 0.00 -0.72 0.00 0.00 41.12 40.02 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kmi s ILE 6 N -2.28 1.69 -0.72 5.18 -4.36 -1.26 -4.52 121.20 114.93 2kmi s ILE 6 Ca 0.55 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.95 2kmi s ILE 6 Cb 0.36 -2.56 0.37 0.00 1.25 0.00 0.00 42.46 41.88 2kmi s ILE 6 CO -0.19 0.00 1.64 0.54 0.24 0.00 0.00 174.94 177.17 2kmi n ARG 7 N -4.57 3.30 -2.31 0.37 1.74 -1.26 -4.82 116.66 109.11 2kmi n ARG 7 Ca 0.13 -4.06 -0.19 0.00 -0.77 0.00 0.00 57.85 52.96 2kmi n ARG 7 Cb 0.59 -2.28 -0.02 0.00 -1.02 0.00 0.00 32.46 29.73 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kmi n ASP 8 N -0.45 -5.44 -2.28 0.55 8.00 -1.26 -4.11 116.55 111.56 2kmi n ASP 8 Ca 0.47 0.08 -0.02 0.00 0.71 0.00 0.00 54.79 56.03 2kmi n ASP 8 Cb 0.38 -4.58 -0.02 0.00 -0.02 0.00 0.00 41.12 36.88 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kmi n TYR 9 N -3.68 -3.99 0.07 1.24 4.01 -1.26 -5.03 117.16 108.51 2kmi n TYR 9 Ca -0.22 2.35 0.00 0.00 -0.16 0.00 0.00 57.90 59.87 2kmi n TYR 9 Cb 0.67 -3.58 0.00 0.00 -0.31 0.00 0.00 39.34 36.12 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kmi n ASN 10 N 1.51 -1.26 -2.70 7.72 5.15 -1.26 -5.03 115.26 119.38 2kmi n ASN 10 Ca -0.18 0.41 -0.07 0.00 -0.60 0.00 0.00 54.58 54.14 2kmi n ASN 10 Cb 0.27 1.42 0.10 0.00 -0.53 0.00 0.00 39.78 41.04 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2kmi n ASP 11 N -2.70 -1.96 0.21 1.20 5.75 -1.26 -4.97 116.55 112.81 2kmi n ASP 11 Ca 0.00 -2.72 0.06 0.00 -0.01 0.00 0.00 54.79 52.12 2kmi n ASP 11 Cb 0.00 1.27 0.45 0.00 -1.03 0.00 0.00 41.12 41.80 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kmi h ALA 12 N 2.21 1.27 -0.93 2.12 0.00 -1.96 -2.89 119.26 119.09 2kmi h ALA 12 Ca -0.25 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.47 2kmi h ALA 12 Cb 1.24 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2kmi h ALA 12 CO -0.02 0.38 0.60 -0.44 0.00 0.00 0.00 179.25 179.76 2kmi h ASP 13 N 0.00 0.88 -0.35 0.00 3.32 -1.93 0.10 116.42 118.44 2kmi h ASP 13 Ca -0.00 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.17 2kmi h ASP 13 Cb 0.63 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2kmi h ASP 13 CO 0.04 0.53 0.37 0.24 -1.72 0.00 0.00 179.24 178.70 2kmi h MET 14 N 0.98 0.00 -0.86 3.56 2.86 -1.78 -0.43 114.93 119.26 2kmi h MET 14 Ca 0.42 0.00 0.25 0.00 -2.06 0.00 0.00 59.70 58.31 2kmi h MET 14 Cb 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2kmi h MET 14 CO -0.18 0.00 0.63 0.00 1.06 0.00 0.00 176.91 178.42 2kmi h ALA 15 N 1.58 2.80 -0.70 6.32 0.00 -1.14 0.17 119.26 128.29 2kmi h ALA 15 Ca 0.17 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.17 2kmi h ALA 15 Cb 0.91 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2kmi h ALA 15 CO -0.00 -1.07 0.47 -0.09 0.00 0.00 0.00 179.25 178.55 2kmi h ARG 16 N 0.00 0.45 -0.74 0.00 2.43 -1.25 -0.07 114.38 115.19 2kmi h ARG 16 Ca 0.41 -0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.77 2kmi h ARG 16 Cb 1.66 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 31.08 2kmi h ARG 16 CO -0.00 0.30 0.56 -0.07 -1.51 0.00 0.00 179.97 179.24 2kmi h LEU 17 N 0.46 0.00 -1.03 3.80 4.07 -0.86 0.06 115.31 121.82 2kmi h LEU 17 Ca 0.33 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.48 2kmi h LEU 17 Cb 0.66 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.30 2kmi h LEU 17 CO -0.11 0.00 0.62 0.25 -1.08 0.00 0.00 178.44 178.12 2kmi h LEU 18 N 0.00 0.79 -1.96 1.67 7.12 -1.17 0.24 115.31 122.01 2kmi h LEU 18 Ca 0.35 0.09 0.19 0.00 0.13 0.00 0.00 57.88 58.64 2kmi h LEU 18 Cb 1.47 -0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 41.51 2kmi h LEU 18 CO -0.00 0.30 0.49 -0.08 -0.13 0.00 0.00 178.44 179.02 2kmi h GLU 19 N 0.78 0.04 -0.81 1.25 4.81 -1.16 0.48 114.58 119.97 2kmi h GLU 19 Ca 0.57 -0.00 0.23 0.00 -0.13 0.00 0.00 59.36 60.03 2kmi h GLU 19 Cb 0.86 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 2kmi h GLU 19 CO -0.36 0.02 0.58 0.37 -0.73 0.00 0.00 179.01 178.90 2kmi h GLN 20 N 0.04 0.01 -0.59 1.92 4.15 -0.66 0.18 115.11 120.16 2kmi h GLN 20 Ca 0.33 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.66 2kmi h GLN 20 Cb 1.25 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 2kmi h GLN 20 CO -0.02 0.01 0.04 -1.49 -1.93 0.00 0.00 178.83 175.44 2kmi h TRP 21 N 0.01 1.06 0.13 3.99 4.06 -1.04 -3.29 115.95 120.87 2kmi h TRP 21 Ca 0.39 -0.16 -0.01 0.00 2.06 0.00 0.00 58.89 61.17 2kmi h TRP 21 Cb 1.53 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2kmi h TRP 21 CO -0.00 0.93 -0.06 0.93 -3.56 0.00 0.00 178.44 176.68 2kmi h GLU 22 N 0.92 -0.17 -1.39 0.49 3.07 -0.78 -3.46 114.58 113.26 2kmi h GLU 22 Ca 0.17 0.01 -0.35 0.00 -0.50 0.00 0.00 59.36 58.69 2kmi h GLU 22 Cb 0.48 0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 28.33 2kmi h GLU 22 CO 0.02 -0.11 -0.37 1.17 -1.40 0.00 0.00 179.01 178.32 2kmi n LYS 23 N -2.47 -1.28 0.20 2.33 4.81 -1.18 -4.82 118.16 115.75 2kmi n LYS 23 Ca -0.02 1.03 0.07 0.00 -0.87 0.00 0.00 58.31 58.51 2kmi n LYS 23 Cb 0.07 -5.34 0.41 0.00 0.02 0.00 0.00 35.03 30.19 2kmi n LYS 23 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kmi h ASP 24 N 0.00 0.00 -5.01 3.14 5.19 -1.84 -3.48 116.42 114.42 2kmi h ASP 24 Ca -0.38 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 55.74 2kmi h ASP 24 Cb 1.20 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.84 2kmi h ASP 24 CO 0.51 0.32 -0.61 -0.67 -3.12 0.00 0.00 179.24 175.67 2kmi n ASP 25 N -3.60 -3.40 -2.51 6.45 -0.08 -1.26 -4.89 116.55 107.26 2kmi n ASP 25 Ca -0.01 -0.49 -0.25 0.00 -1.51 0.00 0.00 54.79 52.53 2kmi n ASP 25 Cb 0.45 -4.30 -0.08 0.00 2.34 0.00 0.00 41.12 39.53 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kmi n ASP 26 N -2.56 6.44 -4.08 1.67 -0.08 -1.24 -4.87 116.55 111.81 2kmi n ASP 26 Ca -0.15 -2.99 -0.15 0.00 -1.51 0.00 0.00 54.79 49.99 2kmi n ASP 26 Cb 0.61 -1.31 -0.12 0.00 2.34 0.00 0.00 41.12 42.64 2kmi n ASP 26 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2kmi s ILE 27 N -1.13 0.71 -0.04 5.18 1.09 -1.26 -4.79 121.20 120.95 2kmi s ILE 27 Ca 0.61 -1.00 -0.05 0.00 -1.10 0.00 0.00 60.65 59.10 2kmi s ILE 27 Cb 0.34 -0.72 -0.03 0.00 -1.06 0.00 0.00 42.46 40.99 2kmi s ILE 27 CO -0.15 -0.24 -0.12 1.21 -0.10 0.00 0.00 174.94 175.55 2kmi n GLU 28 N 1.68 0.19 -4.46 2.79 2.13 -1.26 -5.08 120.64 116.62 2kmi n GLU 28 Ca -0.21 0.08 -0.24 0.00 0.66 0.00 0.00 57.16 57.46 2kmi n GLU 28 Cb 0.55 -0.82 -0.10 0.00 0.27 0.00 0.00 31.44 31.34 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kmi s GLU 29 N -2.24 1.66 0.00 5.31 2.56 -1.26 -5.04 118.70 119.69 2kmi s GLU 29 Ca -0.11 -1.76 0.00 0.00 0.00 0.00 0.00 54.97 53.10 2kmi s GLU 29 Cb 0.03 -1.74 0.00 0.00 2.00 0.00 0.00 34.13 34.42 2kmi s GLU 29 CO 0.15 0.32 0.58 0.41 -0.56 0.00 0.00 175.26 176.16 2kmi n GLY 30 N -0.60 0.15 3.78 -1.50 0.00 -1.26 -4.80 105.19 100.96 2kmi n GLY 30 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 2kmi n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kmi s ASP 31 N -0.32 5.75 0.02 1.61 -4.77 -1.26 -4.70 116.67 113.00 2kmi s ASP 31 Ca 0.00 2.10 0.05 0.00 -3.30 0.00 0.00 52.55 51.40 2kmi s ASP 31 Cb 0.00 -2.57 -0.02 0.00 -1.09 0.00 0.00 42.92 39.24 2kmi s ASP 31 CO 0.00 -1.19 -0.17 -1.48 0.70 0.00 0.00 175.17 173.03 2kmi s LEU 32 N -3.91 2.10 0.00 2.11 0.05 -1.26 -4.81 118.68 112.96 2kmi s LEU 32 Ca 0.71 -0.39 0.14 0.00 0.05 0.00 0.00 54.13 54.64 2kmi s LEU 32 Cb -0.22 -0.80 0.66 0.00 -2.05 0.00 0.00 46.19 43.78 2kmi s LEU 32 CO 0.28 0.14 1.44 -0.81 -0.55 0.00 0.00 176.35 176.85 2kmi n PRO 33 N 2.26 0.08 -1.03 1.48 -0.04 -1.26 -4.84 135.00 131.64 2kmi n PRO 33 Ca -0.16 0.22 -0.35 0.00 -0.04 0.00 0.00 63.50 63.17 2kmi n PRO 33 Cb 0.54 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.59 2kmi n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kmi n GLU 34 N -1.42 0.01 -3.97 0.54 4.71 -1.26 -5.00 120.64 114.25 2kmi n GLU 34 Ca 0.05 0.04 0.04 0.00 -0.01 0.00 0.00 57.16 57.28 2kmi n GLU 34 Cb 0.15 -1.72 0.01 0.00 -1.01 0.00 0.00 31.44 28.87 2kmi n GLU 34 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2kmi s HIS 35 N -2.13 0.00 -0.58 -0.32 2.46 -1.26 -5.08 115.29 108.38 2kmi s HIS 35 Ca 0.59 -0.03 -0.26 0.00 0.47 0.00 0.00 55.06 55.83 2kmi s HIS 35 Cb -0.28 0.51 -0.10 0.00 -0.13 0.00 0.00 32.58 32.59 2kmi s HIS 35 CO 0.65 -0.05 2.45 0.36 -2.47 0.00 0.00 174.74 175.68 2kmi n LYS 36 N -0.91 0.87 -4.45 2.88 -0.00 -1.26 -4.88 118.16 110.41 2kmi n LYS 36 Ca 0.04 -0.07 -0.24 0.00 -0.00 0.00 0.00 58.31 58.04 2kmi n LYS 36 Cb 0.59 -3.21 -0.10 0.00 -0.00 0.00 0.00 35.03 32.31 2kmi n LYS 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kmi s ARG 37 N 8.42 1.78 0.90 -1.58 0.52 -1.26 -5.12 118.95 122.61 2kmi s ARG 37 Ca 1.03 -1.74 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 2kmi s ARG 37 Cb -0.31 -1.82 0.13 0.00 0.52 0.00 0.00 34.95 33.48 2kmi s ARG 37 CO 0.28 0.31 1.09 -1.25 0.02 0.00 0.00 175.30 175.75 2kmi s PRO 38 N -3.55 1.24 -0.04 3.54 0.04 -1.26 -4.53 135.00 130.43 2kmi s PRO 38 Ca 0.31 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2kmi s PRO 38 Cb -0.04 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2kmi s PRO 38 CO 0.16 -2.25 -0.00 -1.54 0.04 0.00 0.00 177.00 173.40 2kmi s SER 39 N -3.42 5.12 -0.27 6.66 1.04 -1.26 -4.61 113.70 116.95 2kmi s SER 39 Ca 0.63 0.05 -0.38 0.00 0.48 0.00 0.00 55.95 56.73 2kmi s SER 39 Cb -0.18 -1.37 0.16 0.00 0.10 0.00 0.00 66.02 64.72 2kmi s SER 39 CO 0.57 0.33 1.36 0.00 0.98 0.00 0.00 173.24 176.47 2kmi s ALA 40 N -0.98 -2.19 0.26 5.32 0.00 -1.25 -4.98 121.76 117.94 2kmi s ALA 40 Ca 0.16 1.87 -0.29 0.00 0.00 0.00 0.00 51.96 53.70 2kmi s ALA 40 Cb -0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.56 2kmi s ALA 40 CO 0.06 -0.55 1.26 -1.25 0.00 0.00 0.00 175.76 175.28 2kmi s PRO 41 N -2.10 4.43 -0.11 0.00 0.04 -1.26 -3.91 135.00 132.10 2kmi s PRO 41 Ca 0.11 2.05 -0.05 0.00 0.04 0.00 0.00 61.00 63.16 2kmi s PRO 41 Cb -0.01 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.44 2kmi s PRO 41 CO -0.03 -0.12 0.24 -1.50 0.04 0.00 0.00 177.00 175.63 2kmi s ILE 42 N -0.61 -0.29 0.27 0.56 1.10 -1.07 -5.01 121.20 116.15 2kmi s ILE 42 Ca 0.51 0.26 0.07 0.00 -0.51 0.00 0.00 60.65 60.98 2kmi s ILE 42 Cb -0.37 -0.39 -0.06 0.00 0.15 0.00 0.00 42.46 41.79 2kmi s ILE 42 CO 0.44 0.11 -0.06 -1.81 -2.11 0.00 0.00 174.94 171.50 2kmi s ASP 43 N 2.09 2.75 0.12 4.50 1.11 -1.26 -3.89 116.67 122.09 2kmi s ASP 43 Ca -0.01 -1.18 -0.13 0.00 0.18 0.00 0.00 52.55 51.41 2kmi s ASP 43 Cb -0.12 -0.17 -0.07 0.00 1.07 0.00 0.00 42.92 43.64 2kmi s ASP 43 CO -0.08 -0.33 1.45 0.15 1.18 0.00 0.00 175.17 177.54 2kmi h PHE 44 N 2.30 0.99 0.00 4.23 3.57 -1.83 -3.33 116.94 122.87 2kmi h PHE 44 Ca -0.40 -0.30 -0.08 0.00 3.53 0.00 0.00 57.97 60.72 2kmi h PHE 44 Cb 1.23 -0.21 -0.17 0.00 2.79 0.00 0.00 35.95 39.60 2kmi h PHE 44 CO 0.68 1.09 -0.69 0.45 -2.23 0.00 0.00 178.31 177.62 2kmi n SER 45 N -4.16 1.25 -2.59 0.41 2.88 -1.26 -5.06 113.62 105.10 2kmi n SER 45 Ca -0.03 -2.77 -0.05 0.00 -1.33 0.00 0.00 58.87 54.69 2kmi n SER 45 Cb 0.51 -0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 63.55 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kmi n LYS 46 N -0.31 -4.48 -3.62 -1.46 4.81 -1.25 -5.00 118.16 106.84 2kmi n LYS 46 Ca 0.11 3.39 -0.28 0.00 -0.87 0.00 0.00 58.31 60.66 2kmi n LYS 46 Cb 0.89 -5.06 -0.11 0.00 0.02 0.00 0.00 35.03 30.76 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kmi s LEU 47 N -0.74 2.88 -0.65 3.14 1.43 -1.26 -5.00 118.68 118.47 2kmi s LEU 47 Ca -0.27 -3.35 0.06 0.00 -1.03 0.00 0.00 54.13 49.54 2kmi s LEU 47 Cb 0.02 -0.96 0.22 0.00 0.03 0.00 0.00 46.19 45.50 2kmi s LEU 47 CO 0.79 -0.14 0.66 -0.67 0.23 0.00 0.00 176.35 177.22 2kmi n ASP 48 N 2.55 3.38 0.19 2.29 2.03 -1.26 -4.89 116.55 120.84 2kmi n ASP 48 Ca 0.24 -3.34 0.14 0.00 0.52 0.00 0.00 54.79 52.35 2kmi n ASP 48 Cb 0.42 -0.69 0.58 0.00 -0.72 0.00 0.00 41.12 40.70 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kmi h PRO 49 N 4.55 0.00 0.00 -0.67 0.13 -2.01 -3.46 132.00 130.53 2kmi h PRO 49 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2kmi h PRO 49 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kmi h PRO 49 CO 0.78 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 2kmi n GLY 50 N -0.02 0.76 3.75 1.56 0.00 -1.26 -5.10 105.19 104.88 2kmi n GLY 50 Ca 0.01 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 2kmi n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 51 N -1.32 1.94 0.46 1.61 1.02 -1.26 -4.99 119.74 117.19 2kmi s LYS 51 Ca 0.00 1.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.94 2kmi s LYS 51 Cb 0.00 -1.86 -0.07 0.00 -0.52 0.00 0.00 37.83 35.38 2kmi s LYS 51 CO 0.00 -1.87 1.16 -1.25 -0.92 0.00 0.00 175.35 172.47 2kmi s PRO 52 N -4.87 3.74 0.09 -1.68 0.04 -1.26 -4.97 135.00 126.09 2kmi s PRO 52 Ca 0.62 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 63.32 2kmi s PRO 52 Cb -0.18 -2.38 -0.20 0.00 0.04 0.00 0.00 34.50 31.78 2kmi s PRO 52 CO 0.56 -0.56 1.21 1.05 0.04 0.00 0.00 177.00 179.30 2kmi h GLU 53 N 2.00 0.54 -0.03 4.56 4.11 -1.99 -3.13 114.58 120.64 2kmi h GLU 53 Ca -0.49 -0.64 0.03 0.00 0.07 0.00 0.00 59.36 58.33 2kmi h GLU 53 Cb 1.25 0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 2kmi h GLU 53 CO 0.60 1.25 -0.26 1.03 0.07 0.00 0.00 179.01 181.70 2kmi h SER 54 N 0.28 -0.78 -0.67 3.06 0.87 -1.99 0.39 113.55 114.70 2kmi h SER 54 Ca -0.13 0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.58 2kmi h SER 54 Cb 1.74 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 63.97 2kmi h SER 54 CO 0.20 -0.32 0.41 0.40 -0.53 0.00 0.00 176.83 176.98 2kmi h ILE 55 N -0.38 1.05 -0.84 2.23 1.08 -1.98 -1.87 117.51 116.79 2kmi h ILE 55 Ca 0.07 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2kmi h ILE 55 Cb 0.48 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 2kmi h ILE 55 CO -0.25 0.14 0.56 0.25 -0.69 0.00 0.00 178.15 178.16 2kmi h LEU 56 N 0.78 0.96 -1.48 1.44 5.85 -1.34 -1.51 115.31 120.01 2kmi h LEU 56 Ca 0.28 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 2kmi h LEU 56 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2kmi h LEU 56 CO -0.13 0.69 -0.10 0.50 -0.34 0.00 0.00 178.44 179.06 2kmi h LYS 57 N 1.13 0.22 -0.62 1.25 1.63 -0.13 -2.61 116.57 117.44 2kmi h LYS 57 Ca 0.31 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 2kmi h LYS 57 Cb -0.13 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.44 2kmi h LYS 57 CO -0.07 0.33 0.25 1.98 -3.45 0.00 0.00 179.45 178.49 2kmi h MET 58 N 0.21 0.93 -2.91 1.90 4.05 -0.88 -3.41 114.93 114.82 2kmi h MET 58 Ca 0.04 -0.17 -0.41 0.00 -0.28 0.00 0.00 59.70 58.89 2kmi h MET 58 Cb 0.32 -0.15 -0.39 0.00 -0.80 0.00 0.00 31.60 30.57 2kmi h MET 58 CO 0.02 0.79 -0.71 0.95 0.23 0.00 0.00 176.91 178.18 2kmi s THR 59 N -5.55 -0.17 -0.66 -0.77 -4.23 -0.99 -5.08 115.64 98.20 2kmi s THR 59 Ca -0.13 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 2kmi s THR 59 Cb 0.13 -0.57 0.17 0.00 1.34 0.00 0.00 72.50 73.57 2kmi s THR 59 CO 0.80 -0.22 0.47 -1.59 -0.54 0.00 0.00 174.62 173.54 2kmi s LYS 60 N 2.20 2.27 -0.18 3.99 -2.85 -1.21 -4.70 119.74 119.26 2kmi s LYS 60 Ca 0.04 -3.17 -0.03 0.00 -1.00 0.00 0.00 55.97 51.80 2kmi s LYS 60 Cb -0.16 -3.20 0.06 0.00 -2.06 0.00 0.00 37.83 32.48 2kmi s LYS 60 CO -0.09 -1.29 0.04 0.21 0.10 0.00 0.00 175.35 174.32 2kmi s LYS 61 N -1.23 0.54 -0.10 1.78 2.20 -1.26 -5.07 119.74 116.59 2kmi s LYS 61 Ca 0.25 -0.33 -0.13 0.00 -0.36 0.00 0.00 55.97 55.40 2kmi s LYS 61 Cb -0.05 -2.01 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 2kmi s LYS 61 CO -0.16 -0.63 0.31 0.20 -0.36 0.00 0.00 175.35 174.71 2kmi s GLY 62 N 1.92 2.30 0.11 5.54 0.00 -1.26 -4.49 107.32 111.44 2kmi s GLY 62 Ca -0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 44.72 44.19 2kmi s GLY 62 CO -0.08 0.23 0.32 1.25 0.00 0.00 0.00 173.10 174.82 2kmi s LYS 63 N -0.24 0.98 0.02 2.90 2.47 0.84 -3.46 119.74 123.25 2kmi s LYS 63 Ca 0.19 -0.81 0.08 0.00 -1.56 0.00 0.00 55.97 53.87 2kmi s LYS 63 Cb -0.14 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.63 2kmi s LYS 63 CO 0.07 -0.36 -0.23 0.99 0.16 0.00 0.00 175.35 175.98 2kmi s THR 64 N -3.83 1.87 -0.11 3.43 2.01 -1.26 -3.76 115.64 113.99 2kmi s THR 64 Ca 0.04 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.91 2kmi s THR 64 Cb 0.03 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.95 2kmi s THR 64 CO -0.12 0.39 -0.22 -1.48 -0.69 0.00 0.00 174.62 172.51 2kmi s LEU 65 N -0.90 2.17 -0.30 4.42 0.05 -1.26 -3.86 118.68 119.00 2kmi s LEU 65 Ca 0.09 -0.54 -0.10 0.00 0.05 0.00 0.00 54.13 53.64 2kmi s LEU 65 Cb -0.09 -1.44 0.17 0.00 -2.05 0.00 0.00 46.19 42.77 2kmi s LEU 65 CO 0.01 0.14 0.83 0.00 -0.55 0.00 0.00 176.35 176.79 2kmi s MET 66 N 0.44 0.39 -0.14 1.48 0.23 -1.20 -3.44 119.30 117.06 2kmi s MET 66 Ca -0.16 0.83 -0.16 0.00 -1.03 0.00 0.00 55.69 55.18 2kmi s MET 66 Cb -0.17 0.48 0.04 0.00 -1.53 0.00 0.00 34.83 33.65 2kmi s MET 66 CO 0.06 -0.30 0.43 -1.64 -2.03 0.00 0.00 175.02 171.54 2kmi s MET 67 N 2.78 0.55 -0.05 3.16 -1.94 -1.10 -1.30 119.30 121.39 2kmi s MET 67 Ca 0.04 0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 54.49 2kmi s MET 67 Cb -0.11 0.26 0.03 0.00 2.01 0.00 0.00 34.83 37.03 2kmi s MET 67 CO -0.17 -0.09 0.05 -0.06 -0.01 0.00 0.00 175.02 174.75 2kmi s PHE 68 N -0.03 0.15 0.02 -0.03 0.08 -0.90 -3.14 117.98 114.13 2kmi s PHE 68 Ca -0.02 0.18 -0.01 0.00 0.12 0.00 0.00 56.93 57.20 2kmi s PHE 68 Cb -0.03 -0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 41.87 2kmi s PHE 68 CO 0.01 -0.22 -0.02 0.08 -0.10 0.00 0.00 175.22 174.98 2kmi s VAL 69 N 2.14 0.11 -0.43 -0.44 1.01 -1.13 -0.21 120.40 121.44 2kmi s VAL 69 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2kmi s VAL 69 Cb -0.12 -0.29 0.23 0.00 0.00 0.00 0.00 36.38 36.19 2kmi s VAL 69 CO -0.04 -0.50 0.96 1.07 0.00 0.00 0.00 175.10 176.60 2kmi n THR 70 N 1.56 0.00 -3.60 3.92 5.66 -1.00 -1.99 114.28 118.84 2kmi n THR 70 Ca -0.24 -0.90 -0.04 0.00 -3.05 0.00 0.00 64.05 59.82 2kmi n THR 70 Cb 0.55 1.08 -0.02 0.00 -1.55 0.00 0.00 70.33 70.39 2kmi n THR 70 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kmi s VAL 71 N 0.68 0.00 -0.25 1.08 0.11 -1.18 -0.98 120.40 119.86 2kmi s VAL 71 Ca 0.28 -0.13 -0.24 0.00 -2.93 0.00 0.00 61.98 58.96 2kmi s VAL 71 Cb 0.14 -1.35 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2kmi s VAL 71 CO -0.13 0.00 0.81 -0.94 -3.33 0.00 0.00 175.10 171.51 2kmi s SER 72 N -2.52 6.80 0.00 3.54 1.04 -1.26 -3.28 113.70 118.02 2kmi s SER 72 Ca 0.10 0.98 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2kmi s SER 72 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2kmi s SER 72 CO -0.05 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.27 2kmi n GLY 73 N 3.82 1.34 2.67 7.32 0.00 -1.26 -3.73 105.19 115.34 2kmi n GLY 73 Ca 0.05 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.02 2kmi n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kmi n ASN 74 N 0.00 -1.44 -4.57 1.61 5.15 -1.25 -3.83 115.26 110.93 2kmi n ASN 74 Ca 0.00 -1.41 -0.27 0.00 -0.60 0.00 0.00 54.58 52.30 2kmi n ASN 74 Cb 0.00 0.76 -0.05 0.00 -0.53 0.00 0.00 39.78 39.96 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2kmi s PRO 75 N 0.57 2.53 -0.19 1.20 0.04 -1.26 -4.07 135.00 133.82 2kmi s PRO 75 Ca 0.25 -0.61 0.19 0.00 0.04 0.00 0.00 61.00 60.87 2kmi s PRO 75 Cb 0.17 -5.13 0.47 0.00 0.04 0.00 0.00 34.50 30.04 2kmi s PRO 75 CO -0.10 -3.59 1.16 0.25 0.04 0.00 0.00 177.00 174.76 2kmi n THR 76 N 7.85 1.35 -0.18 1.26 -2.24 -1.26 -4.86 114.28 116.20 2kmi n THR 76 Ca 0.42 -2.75 0.26 0.00 -2.27 0.00 0.00 64.05 59.70 2kmi n THR 76 Cb 0.47 0.48 0.67 0.00 -2.10 0.00 0.00 70.33 69.85 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kmi h GLU 77 N 1.87 0.09 0.59 -0.78 4.11 -1.88 0.76 114.58 119.33 2kmi h GLU 77 Ca -0.03 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 2kmi h GLU 77 Cb 1.45 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.69 2kmi h GLU 77 CO 0.26 0.06 -0.28 0.87 0.07 0.00 0.00 179.01 179.99 2kmi h LYS 78 N 0.09 -0.76 -0.31 1.06 1.79 -1.99 -3.12 116.57 113.33 2kmi h LYS 78 Ca 0.42 0.05 0.05 0.00 -2.18 0.00 0.00 60.65 59.00 2kmi h LYS 78 Cb 1.52 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 32.32 2kmi h LYS 78 CO -0.05 -0.50 0.22 0.93 -1.08 0.00 0.00 179.45 178.96 2kmi h GLU 79 N -1.19 0.18 0.10 3.15 3.07 -1.77 -2.67 114.58 115.44 2kmi h GLU 79 Ca -0.08 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.79 2kmi h GLU 79 Cb 0.60 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.43 2kmi h GLU 79 CO 0.13 0.12 -0.35 1.15 -1.40 0.00 0.00 179.01 178.66 2kmi h THR 80 N 0.18 0.27 -0.92 1.13 2.02 -0.86 -1.64 112.91 113.10 2kmi h THR 80 Ca 0.14 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.44 2kmi h THR 80 Cb 0.32 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 66.93 2kmi h THR 80 CO -0.02 0.00 0.59 -0.08 0.37 0.00 0.00 175.52 176.37 2kmi h GLU 81 N -0.56 0.80 0.00 6.66 4.81 -1.41 0.25 114.58 125.13 2kmi h GLU 81 Ca 0.04 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kmi h GLU 81 Cb 0.60 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kmi h GLU 81 CO -0.22 0.53 0.00 1.49 -0.73 0.00 0.00 179.01 180.08 2kmi h GLU 82 N 0.82 0.00 -0.42 1.92 4.57 -1.25 -1.68 114.58 118.54 2kmi h GLU 82 Ca 0.45 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.48 2kmi h GLU 82 Cb 0.56 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2kmi h GLU 82 CO -0.21 0.00 -0.31 0.82 -1.18 0.00 0.00 179.01 178.13 2kmi h ILE 83 N 0.00 1.27 -0.94 2.32 2.04 -0.20 -2.97 117.51 119.03 2kmi h ILE 83 Ca 0.00 -1.48 0.24 0.00 1.00 0.00 0.00 64.86 64.63 2kmi h ILE 83 Cb 0.03 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 2kmi h ILE 83 CO 0.00 0.50 0.64 0.00 0.00 0.00 0.00 178.15 179.30 2kmi h THR 84 N 0.79 0.59 0.29 -0.27 1.03 -1.39 -1.03 112.91 112.92 2kmi h THR 84 Ca 0.08 -0.08 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 2kmi h THR 84 Cb 0.89 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.31 2kmi h THR 84 CO 0.08 0.04 -0.14 0.28 -0.01 0.00 0.00 175.52 175.77 2kmi h SER 85 N 0.23 -0.33 -0.32 0.00 0.02 -1.66 -3.13 113.55 108.36 2kmi h SER 85 Ca 0.48 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 2kmi h SER 85 Cb 1.50 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 64.11 2kmi h SER 85 CO -0.12 0.13 0.33 -0.07 -1.14 0.00 0.00 176.83 175.96 2kmi h LEU 86 N -0.91 0.00 -0.54 5.07 3.38 -1.34 -1.71 115.31 119.26 2kmi h LEU 86 Ca -0.04 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2kmi h LEU 86 Cb 0.51 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 2kmi h LEU 86 CO 0.07 0.00 0.05 -0.25 0.09 0.00 0.00 178.44 178.39 2kmi h TRP 87 N 0.00 0.06 -0.95 1.13 7.01 -1.16 0.24 115.95 122.27 2kmi h TRP 87 Ca 0.15 0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.39 2kmi h TRP 87 Cb 0.81 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.85 2kmi h TRP 87 CO 0.00 -0.08 0.61 0.37 -2.79 0.00 0.00 178.44 176.55 2kmi h GLN 88 N 0.17 0.55 -0.39 2.65 4.15 -1.43 -1.11 115.11 119.71 2kmi h GLN 88 Ca 0.28 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.70 2kmi h GLN 88 Cb 0.41 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 2kmi h GLN 88 CO -0.41 0.37 0.17 0.78 -1.93 0.00 0.00 178.83 177.80 2kmi h GLY 89 N 0.57 0.52 1.45 2.39 0.00 -1.08 -1.43 103.07 105.49 2kmi h GLY 89 Ca 0.51 -0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.81 2kmi h GLY 89 CO -0.26 0.06 0.20 0.23 0.00 0.00 0.00 176.54 176.78 2kmi h SER 90 N 0.35 0.00 -0.62 0.19 0.87 -1.15 -2.07 113.55 111.11 2kmi h SER 90 Ca 0.17 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.86 2kmi h SER 90 Cb 0.12 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 61.98 2kmi h SER 90 CO -0.15 0.00 0.08 0.25 -0.53 0.00 0.00 176.83 176.49 2kmi h LEU 91 N 0.00 -0.10 -0.98 2.23 6.46 -1.17 0.17 115.31 121.90 2kmi h LEU 91 Ca 0.13 0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.91 2kmi h LEU 91 Cb 0.53 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.65 2kmi h LEU 91 CO -0.00 -0.05 -0.49 0.15 -0.62 0.00 0.00 178.44 177.43 2kmi h PHE 92 N 0.20 0.04 0.70 1.25 3.04 -1.46 -3.28 116.94 117.44 2kmi h PHE 92 Ca 0.33 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.23 2kmi h PHE 92 Cb 0.52 -0.01 0.01 0.00 2.56 0.00 0.00 35.95 39.03 2kmi h PHE 92 CO -0.29 0.52 -0.34 -0.97 -2.02 0.00 0.00 178.31 175.21 2kmi h ASN 93 N 0.03 -0.80 0.00 0.41 -0.73 -0.73 -3.44 115.58 110.32 2kmi h ASN 93 Ca -0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2kmi h ASN 93 Cb 0.88 0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.68 2kmi h ASN 93 CO 0.07 -0.42 0.00 0.00 -0.37 0.00 0.00 177.43 176.71 2kmi n ALA 94 N -2.71 2.28 -2.65 1.57 0.00 0.00 -2.89 120.51 116.12 2kmi n ALA 94 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 2kmi n ALA 94 Cb 0.37 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.94 2kmi n ALA 94 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kmi n ASN 95 N -1.54 -1.01 -2.67 0.00 0.23 -1.23 -4.89 115.26 104.15 2kmi n ASN 95 Ca 0.00 -1.52 -0.04 0.00 -0.53 0.00 0.00 54.58 52.50 2kmi n ASN 95 Cb 0.00 1.01 -0.03 0.00 -2.08 0.00 0.00 39.78 38.68 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2kmi n TYR 96 N 0.46 -4.09 -3.58 -2.53 4.01 -1.25 -4.94 117.16 105.24 2kmi n TYR 96 Ca -0.09 2.21 -0.37 0.00 -0.16 0.00 0.00 57.90 59.49 2kmi n TYR 96 Cb 0.76 -3.78 -0.06 0.00 -0.31 0.00 0.00 39.34 35.96 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kmi n ASP 97 N 1.45 4.39 -4.12 7.72 8.00 -1.25 -5.03 116.55 127.70 2kmi n ASP 97 Ca -0.27 -3.15 -0.19 0.00 0.71 0.00 0.00 54.79 51.89 2kmi n ASP 97 Cb 0.43 -1.07 -0.13 0.00 -0.02 0.00 0.00 41.12 40.33 2kmi n ASP 97 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kmi s VAL 98 N -1.47 1.01 0.01 2.53 0.11 -1.26 -1.51 120.40 119.81 2kmi s VAL 98 Ca 0.29 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2kmi s VAL 98 Cb -0.06 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 2kmi s VAL 98 CO -0.11 0.01 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.06 2kmi s GLN 99 N -1.02 0.22 -0.04 1.54 -0.44 0.86 -4.80 119.66 115.97 2kmi s GLN 99 Ca 0.01 -0.34 0.03 0.00 -2.50 0.00 0.00 55.36 52.56 2kmi s GLN 99 Cb -0.07 -0.02 0.00 0.00 -1.64 0.00 0.00 33.01 31.28 2kmi s GLN 99 CO 0.01 -0.00 -0.12 0.50 0.50 0.00 0.00 175.29 176.18 2kmi s ARG 100 N -0.76 1.32 -0.14 1.67 3.52 -1.26 -1.97 118.95 121.33 2kmi s ARG 100 Ca -0.07 -0.40 -0.12 0.00 -0.13 0.00 0.00 55.73 55.01 2kmi s ARG 100 Cb -0.05 -1.17 0.04 0.00 -1.56 0.00 0.00 34.95 32.21 2kmi s ARG 100 CO -0.00 0.12 0.36 0.12 -0.81 0.00 0.00 175.30 175.09 2kmi s PHE 101 N 0.28 -0.42 -0.02 5.12 5.36 -1.01 -3.58 117.98 123.72 2kmi s PHE 101 Ca -0.06 1.00 0.03 0.00 -0.96 0.00 0.00 56.93 56.93 2kmi s PHE 101 Cb -0.11 0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 2kmi s PHE 101 CO 0.02 -0.21 -0.09 0.42 -1.46 0.00 0.00 175.22 173.89 2kmi s ILE 102 N 0.42 0.74 -0.17 3.12 1.09 -1.26 -1.52 121.20 123.63 2kmi s ILE 102 Ca -0.02 -0.37 -0.06 0.00 -1.10 0.00 0.00 60.65 59.10 2kmi s ILE 102 Cb -0.04 -0.64 0.07 0.00 -1.06 0.00 0.00 42.46 40.79 2kmi s ILE 102 CO -0.02 0.22 0.36 -0.69 -0.10 0.00 0.00 174.94 174.71 2kmi s VAL 103 N 0.01 -0.44 0.00 2.92 1.01 -0.99 -5.01 120.40 117.90 2kmi s VAL 103 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2kmi s VAL 103 Cb -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2kmi s VAL 103 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2kmi n GLY 104 N 5.13 0.49 0.37 4.51 0.00 -1.26 -3.12 105.19 111.31 2kmi n GLY 104 Ca -0.11 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.14 2kmi n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kmi n SER 105 N 0.68 1.13 -4.25 1.61 7.64 -1.26 -4.82 113.62 114.34 2kmi n SER 105 Ca 0.00 -1.61 -0.26 0.00 1.01 0.00 0.00 58.87 58.02 2kmi n SER 105 Cb 0.00 -0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 62.99 2kmi n SER 105 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2kmi s ASP 106 N -1.59 2.49 0.05 6.43 1.47 -1.18 -4.37 116.67 119.98 2kmi s ASP 106 Ca 0.31 -0.53 0.07 0.00 1.18 0.00 0.00 52.55 53.58 2kmi s ASP 106 Cb 0.16 -0.20 -0.03 0.00 -0.34 0.00 0.00 42.92 42.51 2kmi s ASP 106 CO 0.25 0.16 -0.20 0.00 0.68 0.00 0.00 175.17 176.05 2kmi s ARG 107 N -1.21 1.33 0.01 2.11 1.70 -1.20 -2.34 118.95 119.34 2kmi s ARG 107 Ca 0.07 -0.97 0.06 0.00 -0.47 0.00 0.00 55.73 54.42 2kmi s ARG 107 Cb -0.09 -1.46 -0.02 0.00 -0.57 0.00 0.00 34.95 32.81 2kmi s ARG 107 CO 0.02 0.37 -0.18 0.00 -1.08 0.00 0.00 175.30 174.43 2kmi s ALA 108 N -0.86 1.48 0.03 7.88 0.00 -0.58 -3.11 121.76 126.60 2kmi s ALA 108 Ca 0.07 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2kmi s ALA 108 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2kmi s ALA 108 CO 0.02 0.35 -0.11 -1.50 0.00 0.00 0.00 175.76 174.52 2kmi s ILE 109 N -0.55 0.83 -0.07 0.00 2.07 -0.84 -2.39 121.20 120.24 2kmi s ILE 109 Ca 0.06 -0.82 -0.01 0.00 -1.41 0.00 0.00 60.65 58.47 2kmi s ILE 109 Cb -0.07 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.78 2kmi s ILE 109 CO 0.00 -0.04 0.01 0.12 -1.91 0.00 0.00 174.94 173.13 2kmi s PHE 110 N -0.77 0.56 -0.03 3.50 5.36 -0.83 -2.83 117.98 122.94 2kmi s PHE 110 Ca -0.01 -0.10 -0.01 0.00 -0.96 0.00 0.00 56.93 55.85 2kmi s PHE 110 Cb -0.07 -0.75 0.03 0.00 -0.34 0.00 0.00 43.02 41.89 2kmi s PHE 110 CO 0.01 -0.31 0.06 0.00 -1.46 0.00 0.00 175.22 173.51 2kmi s MET 111 N 2.01 -0.03 -0.02 10.12 0.23 -1.19 -0.10 119.30 130.32 2kmi s MET 111 Ca 0.05 0.28 -0.16 0.00 -1.03 0.00 0.00 55.69 54.82 2kmi s MET 111 Cb -0.12 -0.31 0.03 0.00 -1.53 0.00 0.00 34.83 32.89 2kmi s MET 111 CO -0.05 -0.22 0.34 -1.17 -2.03 0.00 0.00 175.02 171.89 2kmi s LEU 112 N 1.44 0.74 0.22 0.18 1.98 -0.57 -2.73 118.68 119.93 2kmi s LEU 112 Ca -0.05 0.13 -0.09 0.00 -2.89 0.00 0.00 54.13 51.23 2kmi s LEU 112 Cb -0.13 1.36 0.20 0.00 0.66 0.00 0.00 46.19 48.29 2kmi s LEU 112 CO -0.03 -0.46 1.87 0.08 -1.89 0.00 0.00 176.35 175.92 2kmi h ARG 113 N 3.80 0.98 0.00 1.98 0.11 -1.82 -3.33 114.38 116.10 2kmi h ARG 113 Ca -0.29 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2kmi h ARG 113 Cb 1.17 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2kmi h ARG 113 CO 0.40 0.65 -0.09 -0.44 0.10 0.00 0.00 179.97 180.59 2kmi h ASP 114 N 1.01 0.00 0.00 0.08 5.19 -1.92 -3.37 116.42 117.41 2kmi h ASP 114 Ca 0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.71 2kmi h ASP 114 Cb -0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.46 2kmi h ASP 114 CO -0.09 0.24 0.00 0.61 -3.12 0.00 0.00 179.24 176.88 2kmi n GLY 115 N 1.82 1.34 0.44 2.75 0.00 -1.25 -4.68 105.19 105.60 2kmi n GLY 115 Ca -0.01 -0.79 0.26 0.00 0.00 0.00 0.00 46.02 45.48 2kmi n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kmi h SER 116 N 0.00 0.00 0.90 1.61 0.02 -1.96 0.10 113.55 114.22 2kmi h SER 116 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2kmi h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kmi h SER 116 CO 0.00 0.00 -0.49 0.22 -1.14 0.00 0.00 176.83 175.42 2kmi h TYR 117 N 0.00 -1.28 0.00 3.45 5.03 -1.97 -2.96 116.97 119.23 2kmi h TYR 117 Ca 0.37 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.55 2kmi h TYR 117 Cb 1.49 0.44 -0.02 0.00 1.55 0.00 0.00 36.73 40.20 2kmi h TYR 117 CO 0.00 -0.75 -0.51 0.00 -1.32 0.00 0.00 178.16 175.57 2kmi h ALA 118 N -1.28 1.15 -0.83 1.82 0.00 -1.76 -2.97 119.26 115.39 2kmi h ALA 118 Ca -0.12 -0.46 0.24 0.00 0.00 0.00 0.00 54.91 54.56 2kmi h ALA 118 Cb 1.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2kmi h ALA 118 CO 0.17 0.64 0.60 2.35 0.00 0.00 0.00 179.25 183.00 2kmi h TRP 119 N 0.00 0.01 1.00 0.00 2.91 -0.67 0.23 115.95 119.43 2kmi h TRP 119 Ca -0.01 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2kmi h TRP 119 Cb 0.91 -0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.56 2kmi h TRP 119 CO 0.00 0.00 -0.48 1.49 -1.03 0.00 0.00 178.44 178.42 2kmi h GLU 120 N 0.00 -1.29 -0.28 2.65 4.81 -1.37 -1.92 114.58 117.17 2kmi h GLU 120 Ca 0.40 0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.59 2kmi h GLU 120 Cb 1.58 0.29 -0.00 0.00 0.63 0.00 0.00 28.75 31.25 2kmi h GLU 120 CO -0.01 -0.86 -0.32 0.82 -0.73 0.00 0.00 179.01 177.91 2kmi h ILE 121 N -1.35 1.30 -0.80 2.32 1.08 -1.54 -2.99 117.51 115.52 2kmi h ILE 121 Ca -0.14 -1.50 0.23 0.00 -0.39 0.00 0.00 64.86 63.07 2kmi h ILE 121 Cb 1.03 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 36.35 2kmi h ILE 121 CO 0.23 0.48 0.58 0.11 -0.69 0.00 0.00 178.15 178.86 2kmi h LYS 122 N 0.46 0.00 -0.63 2.37 6.56 -0.60 -0.74 116.57 123.99 2kmi h LYS 122 Ca 0.04 0.00 0.12 0.00 -1.06 0.00 0.00 60.65 59.75 2kmi h LYS 122 Cb 0.90 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.46 2kmi h LYS 122 CO 0.08 0.00 0.13 0.22 -2.06 0.00 0.00 179.45 177.82 2kmi h ASP 123 N 0.00 -0.02 0.50 0.86 1.82 -1.19 0.27 116.42 118.66 2kmi h ASP 123 Ca 0.38 0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 57.04 2kmi h ASP 123 Cb 1.54 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.71 2kmi h ASP 123 CO -0.00 -0.01 -0.51 -0.26 -1.61 0.00 0.00 179.24 176.84 2kmi h PHE 124 N 0.25 0.02 0.35 0.28 0.04 -1.31 -2.96 116.94 113.62 2kmi h PHE 124 Ca 0.34 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.08 2kmi h PHE 124 Cb 0.52 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 2kmi h PHE 124 CO -0.26 0.52 -0.17 1.25 -0.60 0.00 0.00 178.31 179.05 2kmi h LEU 125 N 0.01 -0.40 -2.00 1.54 7.12 -0.77 -3.15 115.31 117.66 2kmi h LEU 125 Ca -0.00 -0.14 0.24 0.00 0.13 0.00 0.00 57.88 58.11 2kmi h LEU 125 Cb 0.91 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.11 2kmi h LEU 125 CO 0.07 0.04 0.60 1.62 -0.13 0.00 0.00 178.44 180.64 2kmi h VAL 126 N -0.98 0.57 -0.83 1.05 3.04 -0.64 0.11 116.25 118.57 2kmi h VAL 126 Ca -0.05 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.88 2kmi h VAL 126 Cb 0.52 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 30.34 2kmi h VAL 126 CO 0.08 0.00 0.59 -1.28 -1.01 0.00 0.00 177.57 175.95 2kmi h SER 127 N 0.00 0.03 -0.44 3.17 0.87 -1.47 0.60 113.55 116.30 2kmi h SER 127 Ca 0.39 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.92 2kmi h SER 127 Cb 1.59 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.53 2kmi h SER 127 CO -0.00 0.01 0.14 1.56 -0.53 0.00 0.00 176.83 178.00 2kmi h GLN 128 N 0.03 0.69 -3.47 2.24 1.08 -0.92 -3.47 115.11 111.29 2kmi h GLN 128 Ca 0.40 -0.15 -0.34 0.00 -1.45 0.00 0.00 58.65 57.11 2kmi h GLN 128 Cb 1.55 -0.10 0.03 0.00 -0.05 0.00 0.00 27.48 28.92 2kmi h GLN 128 CO -0.02 0.67 -0.49 -3.47 -0.95 0.00 0.00 178.83 174.57 2kmi n ASP 129 N -4.55 -5.33 -2.65 1.46 -0.08 0.20 -4.87 116.55 100.72 2kmi n ASP 129 Ca 0.00 -0.18 -0.03 0.00 -1.51 0.00 0.00 54.79 53.07 2kmi n ASP 129 Cb 0.19 -4.23 0.10 0.00 2.34 0.00 0.00 41.12 39.51 2kmi n ASP 129 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 2kmi n ARG 130 N -3.29 0.03 -3.75 -0.67 1.85 -0.15 -4.64 116.66 106.03 2kmi n ARG 130 Ca -0.12 -0.54 -0.13 0.00 -1.00 0.00 0.00 57.85 56.06 2kmi n ARG 130 Cb 0.62 -0.04 -0.10 0.00 -1.05 0.00 0.00 32.46 31.89 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kmi s ALA 132 N -0.35 3.00 -0.14 0.00 0.00 -1.26 -2.37 121.76 120.64 2kmi s ALA 132 Ca -0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 2kmi s ALA 132 Cb -0.03 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2kmi s ALA 132 CO 0.02 0.43 0.36 -2.00 0.00 0.00 0.00 175.76 174.58 2kmi s GLU 133 N -0.35 0.39 -0.17 0.00 2.56 0.70 -4.85 118.70 116.98 2kmi s GLU 133 Ca 0.05 0.60 -0.06 0.00 0.00 0.00 0.00 54.97 55.56 2kmi s GLU 133 Cb -0.12 0.09 0.08 0.00 2.00 0.00 0.00 34.13 36.17 2kmi s GLU 133 CO 0.02 -0.10 0.36 0.54 -0.56 0.00 0.00 175.26 175.52 2kmi s VAL 134 N 0.72 -0.46 -0.06 3.70 0.11 -1.26 -2.12 120.40 121.02 2kmi s VAL 134 Ca -0.04 0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.20 2kmi s VAL 134 Cb -0.05 -0.57 0.03 0.00 -1.53 0.00 0.00 36.38 34.25 2kmi s VAL 134 CO -0.05 0.08 -0.02 0.42 -3.33 0.00 0.00 175.10 172.20 2kmi s THR 135 N 2.32 0.50 0.00 5.04 -4.23 -0.42 -4.48 115.64 114.38 2kmi s THR 135 Ca -0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.48 2kmi s THR 135 Cb -0.11 -0.59 -0.00 0.00 1.34 0.00 0.00 72.50 73.14 2kmi s THR 135 CO -0.11 0.25 -0.01 -1.48 -0.54 0.00 0.00 174.62 172.73 2kmi s LEU 136 N 1.50 2.04 -0.16 4.79 0.05 -1.26 -3.25 118.68 122.38 2kmi s LEU 136 Ca -0.02 -0.09 -0.20 0.00 0.05 0.00 0.00 54.13 53.87 2kmi s LEU 136 Cb -0.13 -0.03 -0.03 0.00 -2.05 0.00 0.00 46.19 43.95 2kmi s LEU 136 CO -0.03 -0.04 0.58 -1.61 -0.55 0.00 0.00 176.35 174.70 2kmi s GLU 137 N -0.25 4.28 -0.20 1.48 0.41 -1.25 -4.88 118.70 118.29 2kmi s GLU 137 Ca -0.02 0.58 0.12 0.00 -0.41 0.00 0.00 54.97 55.24 2kmi s GLU 137 Cb -0.02 -3.52 0.43 0.00 -1.78 0.00 0.00 34.13 29.24 2kmi s GLU 137 CO -0.00 -0.08 1.21 0.41 -0.49 0.00 0.00 175.26 176.31 2kmi n GLY 138 N 3.57 4.85 3.52 -1.39 0.00 -1.26 -4.72 105.19 109.76 2kmi n GLY 138 Ca -0.03 -1.40 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 2kmi n GLY 138 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kmi s GLN 139 N -2.98 1.05 2.05 1.61 2.00 -1.26 -5.06 119.66 117.08 2kmi s GLN 139 Ca 0.39 0.26 0.00 0.00 -2.00 0.00 0.00 55.36 54.01 2kmi s GLN 139 Cb 0.38 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.68 2kmi s GLN 139 CO -0.07 -0.33 0.00 -0.12 -0.50 0.00 0.00 175.29 174.27 2kmi n MET 140 N 0.91 0.00 -3.23 1.67 1.56 -1.26 -4.49 117.12 112.27 2kmi n MET 140 Ca -0.19 0.00 -0.25 0.00 -0.27 0.00 0.00 57.70 56.99 2kmi n MET 140 Cb 0.57 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.88 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2kmi n TYR 141 N -1.22 2.52 -1.08 1.12 4.01 -1.26 -4.64 117.16 116.61 2kmi n TYR 141 Ca 0.00 -3.96 -0.30 0.00 -0.16 0.00 0.00 57.90 53.48 2kmi n TYR 141 Cb 0.00 -0.48 0.24 0.00 -0.31 0.00 0.00 39.34 38.79 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kmi s PRO 142 N -2.44 -1.22 4.30 -0.72 0.04 -1.22 -2.79 135.00 130.95 2kmi s PRO 142 Ca 0.41 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2kmi s PRO 142 Cb 0.21 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 33.15 2kmi s PRO 142 CO -0.07 -3.71 0.00 0.41 0.04 0.00 0.00 177.00 173.67 2kmi n GLY 143 N -0.96 1.19 0.14 0.56 0.00 -1.25 -0.11 105.19 104.76 2kmi n GLY 143 Ca 0.13 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 2kmi n GLY 143 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kmi h LYS 144 N 0.00 0.39 0.00 1.61 5.09 -1.73 -2.84 116.57 119.08 2kmi h LYS 144 Ca 0.00 -0.66 0.00 0.00 0.09 0.00 0.00 60.65 60.08 2kmi h LYS 144 Cb 0.00 0.25 0.00 0.00 0.10 0.00 0.00 32.23 32.58 2kmi h LYS 144 CO 0.00 1.32 0.00 0.41 -2.09 0.00 0.00 179.45 179.09