#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 0.12 2.89 4.81 -1.26 -4.96 118.16 119.77 2kmi n LYS 2 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2kmi n LYS 2 Cb 0.00 0.00 0.21 0.00 0.02 0.00 0.00 35.03 35.26 2kmi n LYS 2 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kmi h LYS 3 N 0.00 0.13 -1.81 1.64 3.64 -2.03 -3.15 116.57 114.99 2kmi h LYS 3 Ca 0.00 -0.07 -0.46 0.00 -1.27 0.00 0.00 60.65 58.84 2kmi h LYS 3 Cb 0.00 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.65 2kmi h LYS 3 CO 0.00 0.61 0.44 0.36 -2.27 0.00 0.00 179.45 178.59 2kmi n LYS 4 N -3.94 2.25 -2.37 1.90 2.85 -1.26 -4.22 118.16 113.36 2kmi n LYS 4 Ca -0.02 -2.20 -0.41 0.00 -1.05 0.00 0.00 58.31 54.63 2kmi n LYS 4 Cb 0.53 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.92 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kmi n ASP 5 N 0.60 6.71 -4.63 -5.58 2.03 -1.19 -4.99 116.55 109.50 2kmi n ASP 5 Ca 0.44 -3.26 -0.29 0.00 0.52 0.00 0.00 54.79 52.20 2kmi n ASP 5 Cb 0.56 -1.35 0.13 0.00 -0.72 0.00 0.00 41.12 39.74 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 -1.43 1.97 -0.65 5.18 -4.36 -1.26 -5.00 121.20 115.66 2kmi s ILE 6 Ca 0.43 0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.84 2kmi s ILE 6 Cb 0.13 -2.89 0.38 0.00 1.25 0.00 0.00 42.46 41.33 2kmi s ILE 6 CO -0.03 0.00 1.50 0.54 0.24 0.00 0.00 174.94 177.18 2kmi n ARG 7 N -3.65 3.29 -2.24 0.37 5.12 -1.26 -4.85 116.66 113.45 2kmi n ARG 7 Ca 0.09 -4.17 -0.17 0.00 -1.93 0.00 0.00 57.85 51.67 2kmi n ARG 7 Cb 0.60 -2.27 -0.02 0.00 -1.16 0.00 0.00 32.46 29.61 2kmi n ARG 7 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kmi n ASP 8 N -0.45 -4.92 -2.67 0.55 -0.08 -1.26 -3.82 116.55 103.90 2kmi n ASP 8 Ca 0.45 0.14 -0.04 0.00 -1.51 0.00 0.00 54.79 53.83 2kmi n ASP 8 Cb 0.45 -4.18 -0.03 0.00 2.34 0.00 0.00 41.12 39.69 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kmi n TYR 9 N -3.43 -4.10 0.20 -0.67 4.01 -1.26 -5.02 117.16 106.88 2kmi n TYR 9 Ca -0.20 2.22 0.00 0.00 -0.16 0.00 0.00 57.90 59.77 2kmi n TYR 9 Cb 0.64 -3.78 0.00 0.00 -0.31 0.00 0.00 39.34 35.88 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2kmi n ASN 10 N 1.46 -2.40 -2.12 7.72 5.03 -1.25 -5.03 115.26 118.66 2kmi n ASN 10 Ca -0.28 0.72 -0.01 0.00 0.87 0.00 0.00 54.58 55.88 2kmi n ASN 10 Cb 0.44 2.34 0.07 0.00 -1.02 0.00 0.00 39.78 41.61 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2kmi n ASP 11 N -3.46 -0.86 0.20 6.41 -0.08 -1.26 -4.97 116.55 112.53 2kmi n ASP 11 Ca 0.00 -1.70 0.06 0.00 -1.51 0.00 0.00 54.79 51.65 2kmi n ASP 11 Cb 0.00 0.40 0.41 0.00 2.34 0.00 0.00 41.12 44.27 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kmi h ALA 12 N 0.56 1.11 -0.97 -1.67 0.00 -1.95 -3.01 119.26 113.33 2kmi h ALA 12 Ca -0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kmi h ALA 12 Cb 1.17 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2kmi h ALA 12 CO -0.12 0.41 0.60 0.38 0.00 0.00 0.00 179.25 180.52 2kmi h ASP 13 N 0.00 1.14 -0.00 0.00 2.03 -1.95 -1.08 116.42 116.56 2kmi h ASP 13 Ca -0.00 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2kmi h ASP 13 Cb 0.75 -0.29 -0.00 0.00 -0.83 0.00 0.00 39.33 38.96 2kmi h ASP 13 CO 0.04 0.86 0.00 -0.03 -1.03 0.00 0.00 179.24 179.08 2kmi h MET 14 N 1.32 0.00 0.00 4.15 4.05 -1.78 -1.04 114.93 121.63 2kmi h MET 14 Ca 0.35 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.77 2kmi h MET 14 Cb -0.09 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.71 2kmi h MET 14 CO -0.07 0.00 -0.00 0.00 0.23 0.00 0.00 176.91 177.07 2kmi h ALA 15 N 2.00 1.15 -0.11 0.39 0.00 -1.32 -1.59 119.26 119.78 2kmi h ALA 15 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2kmi h ALA 15 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kmi h ALA 15 CO -0.00 0.00 0.17 -0.09 0.00 0.00 0.00 179.25 179.33 2kmi h ARG 16 N 0.00 0.00 -0.55 0.00 1.12 -1.34 -1.13 114.38 112.48 2kmi h ARG 16 Ca -0.00 0.00 0.16 0.00 -1.11 0.00 0.00 59.98 59.03 2kmi h ARG 16 Cb 0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2kmi h ARG 16 CO 0.00 0.00 0.46 1.37 -3.11 0.00 0.00 179.97 178.69 2kmi h LEU 17 N 0.00 0.00 -1.23 3.80 8.10 -1.52 -0.23 115.31 124.24 2kmi h LEU 17 Ca 0.05 0.00 0.19 0.00 0.11 0.00 0.00 57.88 58.23 2kmi h LEU 17 Cb 0.38 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.51 2kmi h LEU 17 CO -0.00 0.00 0.61 0.25 -4.11 0.00 0.00 178.44 175.19 2kmi h LEU 18 N 0.00 0.64 -2.00 0.17 7.12 -1.44 0.24 115.31 120.04 2kmi h LEU 18 Ca 0.26 0.07 0.17 0.00 0.13 0.00 0.00 57.88 58.51 2kmi h LEU 18 Cb 1.18 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 2kmi h LEU 18 CO -0.00 0.25 0.47 -0.08 -0.13 0.00 0.00 178.44 178.95 2kmi h GLU 19 N 0.64 0.00 0.00 1.25 4.81 -1.26 0.25 114.58 120.26 2kmi h GLU 19 Ca 0.52 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 2kmi h GLU 19 Cb 0.97 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.35 2kmi h GLU 19 CO -0.28 0.00 -0.09 0.37 -0.73 0.00 0.00 179.01 178.28 2kmi h GLN 20 N 0.00 0.00 -1.00 1.92 4.15 -0.53 -2.37 115.11 117.28 2kmi h GLN 20 Ca 0.28 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.88 2kmi h GLN 20 Cb 1.21 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.80 2kmi h GLN 20 CO -0.00 0.09 0.62 2.35 -1.93 0.00 0.00 178.83 179.95 2kmi h TRP 21 N 0.00 1.09 0.36 3.99 2.91 -0.62 -2.83 115.95 120.84 2kmi h TRP 21 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 2kmi h TRP 21 Cb 0.16 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.48 2kmi h TRP 21 CO 0.00 0.28 -0.17 0.93 -1.03 0.00 0.00 178.44 178.45 2kmi h GLU 22 N 0.81 -0.47 -2.25 2.65 3.07 -1.58 -3.46 114.58 113.35 2kmi h GLU 22 Ca 0.56 0.03 -0.40 0.00 -0.50 0.00 0.00 59.36 59.06 2kmi h GLU 22 Cb 0.81 0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.75 2kmi h GLU 22 CO -0.36 -0.31 -0.44 1.17 -1.40 0.00 0.00 179.01 177.67 2kmi n LYS 23 N -3.55 -1.62 0.18 2.33 4.81 -1.07 -4.84 118.16 114.40 2kmi n LYS 23 Ca -0.06 1.04 0.05 0.00 -0.87 0.00 0.00 58.31 58.47 2kmi n LYS 23 Cb 0.19 -5.57 0.32 0.00 0.02 0.00 0.00 35.03 29.99 2kmi n LYS 23 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kmi h ASP 24 N 0.00 0.00 -5.35 3.14 3.58 -1.84 -3.47 116.42 112.48 2kmi h ASP 24 Ca -0.44 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.69 2kmi h ASP 24 Cb 1.32 0.00 0.15 0.00 1.72 0.00 0.00 39.33 42.51 2kmi h ASP 24 CO 0.57 0.40 -0.67 -0.67 -2.88 0.00 0.00 179.24 175.98 2kmi n ASP 25 N -3.57 -3.36 0.23 2.28 2.03 -1.26 -4.87 116.55 108.03 2kmi n ASP 25 Ca -0.00 -0.54 0.16 0.00 0.52 0.00 0.00 54.79 54.92 2kmi n ASP 25 Cb 0.52 -4.69 0.83 0.00 -0.72 0.00 0.00 41.12 37.06 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kmi h ASP 26 N -1.98 0.00 -4.25 1.67 1.82 -1.76 -3.41 116.42 108.52 2kmi h ASP 26 Ca -0.53 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.44 2kmi h ASP 26 Cb 1.32 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 41.07 2kmi h ASP 26 CO 0.47 0.00 -0.87 -0.63 -1.61 0.00 0.00 179.24 176.60 2kmi s ILE 27 N -4.69 2.06 -0.00 2.25 1.01 -1.26 -5.07 121.20 115.49 2kmi s ILE 27 Ca -0.05 -1.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.09 2kmi s ILE 27 Cb 0.16 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.79 2kmi s ILE 27 CO 0.57 0.29 0.72 -0.08 0.00 0.00 0.00 174.94 176.44 2kmi h GLU 28 N 4.67 -0.35 -1.28 2.79 4.57 -2.01 -3.49 114.58 119.49 2kmi h GLU 28 Ca -0.46 0.02 0.16 0.00 -1.18 0.00 0.00 59.36 57.90 2kmi h GLU 28 Cb 1.15 0.08 -0.28 0.00 -0.16 0.00 0.00 28.75 29.54 2kmi h GLU 28 CO 0.43 -0.23 0.75 -2.00 -1.18 0.00 0.00 179.01 176.77 2kmi s GLU 29 N -3.04 0.27 0.00 1.92 2.12 -1.26 -5.07 118.70 113.64 2kmi s GLU 29 Ca -0.05 0.16 0.13 0.00 0.36 0.00 0.00 54.97 55.57 2kmi s GLU 29 Cb 0.01 0.13 0.22 0.00 0.26 0.00 0.00 34.13 34.74 2kmi s GLU 29 CO 0.16 -0.06 1.06 0.41 -0.54 0.00 0.00 175.26 176.28 2kmi n GLY 30 N 1.14 0.78 3.74 -1.50 0.00 -1.25 -5.03 105.19 103.08 2kmi n GLY 30 Ca -0.07 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.45 6.99 0.54 1.61 -4.77 -1.26 -4.42 116.67 113.91 2kmi s ASP 31 Ca 0.17 2.33 -0.07 0.00 -3.30 0.00 0.00 52.55 51.68 2kmi s ASP 31 Cb 0.20 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.39 2kmi s ASP 31 CO -0.09 -0.45 0.88 -0.76 0.70 0.00 0.00 175.17 175.46 2kmi s LEU 32 N -0.28 3.44 -0.77 2.11 1.02 -1.25 -4.97 118.68 117.98 2kmi s LEU 32 Ca 0.54 1.06 -0.25 0.00 0.02 0.00 0.00 54.13 55.50 2kmi s LEU 32 Cb -0.35 -4.03 -0.04 0.00 0.02 0.00 0.00 46.19 41.80 2kmi s LEU 32 CO 0.38 -0.74 1.91 -2.16 0.02 0.00 0.00 176.35 175.76 2kmi s PRO 33 N -4.92 2.58 -0.23 1.29 0.04 -1.26 -4.95 135.00 127.55 2kmi s PRO 33 Ca 0.51 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 61.37 2kmi s PRO 33 Cb -0.11 -4.76 0.01 0.00 0.04 0.00 0.00 34.50 29.68 2kmi s PRO 33 CO 0.48 -3.10 1.10 -1.83 0.04 0.00 0.00 177.00 173.70 2kmi s GLU 34 N 7.03 4.21 0.33 4.56 4.04 -1.26 -5.00 118.70 132.61 2kmi s GLU 34 Ca 0.69 1.38 0.01 0.00 0.04 0.00 0.00 54.97 57.09 2kmi s GLU 34 Cb -0.09 -3.69 -0.01 0.00 0.02 0.00 0.00 34.13 30.36 2kmi s GLU 34 CO 0.09 -0.71 0.39 -1.58 -1.84 0.00 0.00 175.26 171.61 2kmi s HIS 35 N 3.38 1.32 0.02 4.83 2.46 -1.26 -5.11 115.29 120.93 2kmi s HIS 35 Ca 0.47 -1.43 -0.36 0.00 0.47 0.00 0.00 55.06 54.21 2kmi s HIS 35 Cb -0.16 -0.34 -0.15 0.00 -0.13 0.00 0.00 32.58 31.81 2kmi s HIS 35 CO 0.10 -1.02 1.59 0.36 -2.47 0.00 0.00 174.74 173.30 2kmi n LYS 36 N -0.57 1.70 -4.43 2.88 2.85 -1.26 -4.81 118.16 114.51 2kmi n LYS 36 Ca 0.03 0.62 -0.24 0.00 -1.05 0.00 0.00 58.31 57.67 2kmi n LYS 36 Cb 0.62 -2.35 -0.09 0.00 -0.65 0.00 0.00 35.03 32.56 2kmi n LYS 36 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kmi s ARG 37 N 1.81 1.84 0.43 -1.58 0.52 -1.26 -5.03 118.95 115.67 2kmi s ARG 37 Ca 0.86 -1.70 -0.24 0.00 -0.52 0.00 0.00 55.73 54.13 2kmi s ARG 37 Cb -0.83 -1.86 -0.08 0.00 0.52 0.00 0.00 34.95 32.71 2kmi s ARG 37 CO 0.48 0.32 1.18 -1.25 0.02 0.00 0.00 175.30 176.04 2kmi s PRO 38 N -3.56 3.91 -0.07 3.54 0.04 -1.26 -4.42 135.00 133.18 2kmi s PRO 38 Ca 0.31 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.22 2kmi s PRO 38 Cb -0.05 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.91 2kmi s PRO 38 CO 0.16 -0.44 -0.17 0.45 0.04 0.00 0.00 177.00 177.05 2kmi s SER 39 N -1.20 3.79 -0.25 6.66 0.15 -1.26 -4.63 113.70 116.95 2kmi s SER 39 Ca 0.60 -0.31 -0.37 0.00 0.70 0.00 0.00 55.95 56.56 2kmi s SER 39 Cb -0.30 -1.05 0.15 0.00 -1.71 0.00 0.00 66.02 63.10 2kmi s SER 39 CO 0.38 0.27 1.34 0.00 1.20 0.00 0.00 173.24 176.42 2kmi s ALA 40 N -0.29 -2.18 -0.12 5.45 0.00 -1.26 -4.98 121.76 118.38 2kmi s ALA 40 Ca 0.02 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.47 2kmi s ALA 40 Cb -0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2kmi s ALA 40 CO 0.03 -0.58 1.54 -1.25 0.00 0.00 0.00 175.76 175.50 2kmi s PRO 41 N -2.14 4.12 -0.05 0.00 0.04 -1.26 -4.23 135.00 131.48 2kmi s PRO 41 Ca 0.11 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2kmi s PRO 41 Cb -0.01 -3.94 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 2kmi s PRO 41 CO -0.03 -0.89 -0.24 -1.50 0.04 0.00 0.00 177.00 174.37 2kmi s ILE 42 N 4.11 2.16 -0.10 0.56 2.07 -1.25 -5.10 121.20 123.65 2kmi s ILE 42 Ca 0.68 -1.04 -0.05 0.00 -1.41 0.00 0.00 60.65 58.83 2kmi s ILE 42 Cb -0.28 -1.78 0.05 0.00 0.13 0.00 0.00 42.46 40.57 2kmi s ILE 42 CO 0.25 0.57 0.23 -1.81 -1.91 0.00 0.00 174.94 172.27 2kmi s ASP 43 N -0.32 -0.18 0.49 4.50 1.01 -1.26 -3.75 116.67 117.16 2kmi s ASP 43 Ca 0.01 0.48 0.23 0.00 0.71 0.00 0.00 52.55 53.98 2kmi s ASP 43 Cb -0.13 0.38 1.26 0.00 1.01 0.00 0.00 42.92 45.45 2kmi s ASP 43 CO 0.02 -0.17 2.02 0.15 0.21 0.00 0.00 175.17 177.40 2kmi h PHE 44 N 7.29 0.00 -0.05 4.23 3.04 -1.68 -3.28 116.94 126.49 2kmi h PHE 44 Ca -0.39 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.39 2kmi h PHE 44 Cb 1.15 0.00 -0.28 0.00 2.56 0.00 0.00 35.95 39.38 2kmi h PHE 44 CO 0.38 0.16 -0.71 -1.13 -2.02 0.00 0.00 178.31 174.99 2kmi n SER 45 N -3.79 0.12 -3.29 0.41 3.41 -1.26 -5.04 113.62 104.17 2kmi n SER 45 Ca -0.02 -2.02 -0.12 0.00 -0.26 0.00 0.00 58.87 56.45 2kmi n SER 45 Cb 0.27 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2kmi n LYS 46 N -0.01 -1.59 -4.04 4.33 4.81 -1.24 -4.99 118.16 115.44 2kmi n LYS 46 Ca -0.08 1.36 -0.33 0.00 -0.87 0.00 0.00 58.31 58.38 2kmi n LYS 46 Cb 0.92 -4.40 -0.15 0.00 0.02 0.00 0.00 35.03 31.42 2kmi n LYS 46 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2kmi s LEU 47 N -3.97 2.82 0.27 3.14 2.96 -1.26 -5.10 118.68 117.54 2kmi s LEU 47 Ca 0.07 -0.85 0.08 0.00 -0.22 0.00 0.00 54.13 53.20 2kmi s LEU 47 Cb -0.01 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2kmi s LEU 47 CO 0.81 -0.08 0.13 -1.81 -1.32 0.00 0.00 176.35 174.07 2kmi s ASP 48 N 1.28 5.12 0.32 3.68 1.01 -1.26 -4.88 116.67 121.94 2kmi s ASP 48 Ca 0.01 -0.43 0.11 0.00 0.71 0.00 0.00 52.55 52.95 2kmi s ASP 48 Cb -0.16 -1.15 0.55 0.00 1.01 0.00 0.00 42.92 43.17 2kmi s ASP 48 CO -0.08 -0.05 1.73 1.55 0.21 0.00 0.00 175.17 178.53 2kmi h PRO 49 N 1.62 0.01 0.00 8.23 0.13 -1.99 -3.47 132.00 136.52 2kmi h PRO 49 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kmi h PRO 49 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kmi h PRO 49 CO 0.61 0.49 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 2kmi n GLY 50 N -0.13 3.07 3.76 1.56 0.00 -1.26 -5.04 105.19 107.15 2kmi n GLY 50 Ca -0.02 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 2.13 0.48 1.61 -0.14 -1.26 -5.00 119.74 117.55 2kmi s LYS 51 Ca 0.00 1.11 -0.22 0.00 -1.36 0.00 0.00 55.97 55.50 2kmi s LYS 51 Cb 0.00 -1.89 -0.07 0.00 -1.68 0.00 0.00 37.83 34.19 2kmi s LYS 51 CO 0.00 -1.72 1.16 -1.25 -0.76 0.00 0.00 175.35 172.78 2kmi s PRO 52 N -4.91 3.67 0.56 -1.68 0.04 -1.26 -4.91 135.00 126.51 2kmi s PRO 52 Ca 0.61 1.74 0.28 0.00 0.04 0.00 0.00 61.00 63.66 2kmi s PRO 52 Cb -0.17 -2.31 1.48 0.00 0.04 0.00 0.00 34.50 33.54 2kmi s PRO 52 CO 0.56 -0.62 1.98 1.05 0.04 0.00 0.00 177.00 180.01 2kmi h GLU 53 N 1.85 0.00 -0.26 4.56 4.11 -1.99 -1.85 114.58 121.00 2kmi h GLU 53 Ca -0.49 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.00 2kmi h GLU 53 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2kmi h GLU 53 CO 0.59 0.00 -0.19 1.03 0.07 0.00 0.00 179.01 180.51 2kmi h SER 54 N 0.00 -0.63 -0.03 3.06 0.87 -2.01 -0.90 113.55 113.91 2kmi h SER 54 Ca 0.22 0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 2kmi h SER 54 Cb 1.01 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2kmi h SER 54 CO -0.00 -0.23 -0.44 0.40 -0.53 0.00 0.00 176.83 176.02 2kmi h ILE 55 N -0.18 1.31 -0.17 2.23 1.08 -1.72 -2.91 117.51 117.15 2kmi h ILE 55 Ca 0.14 -1.63 0.05 0.00 -0.39 0.00 0.00 64.86 63.03 2kmi h ILE 55 Cb 0.40 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.76 2kmi h ILE 55 CO -0.37 0.51 0.12 0.25 -0.69 0.00 0.00 178.15 177.97 2kmi h LEU 56 N 0.46 0.00 -2.20 1.44 7.12 -1.12 -0.48 115.31 120.53 2kmi h LEU 56 Ca 0.03 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.10 2kmi h LEU 56 Cb 0.96 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 2kmi h LEU 56 CO 0.09 0.00 0.20 0.50 -0.13 0.00 0.00 178.44 179.09 2kmi h LYS 57 N 0.00 0.00 0.38 1.25 3.64 -0.99 -2.68 116.57 118.17 2kmi h LYS 57 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2kmi h LYS 57 Cb 0.32 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2kmi h LYS 57 CO -0.00 0.00 -0.52 1.98 -2.27 0.00 0.00 179.45 178.64 2kmi h MET 58 N 0.00 -0.90 -5.99 1.90 4.05 -1.24 -3.42 114.93 109.33 2kmi h MET 58 Ca 0.09 0.06 -0.67 0.00 -0.28 0.00 0.00 59.70 58.91 2kmi h MET 58 Cb 0.48 0.20 -0.31 0.00 -0.80 0.00 0.00 31.60 31.18 2kmi h MET 58 CO -0.00 -0.60 -0.88 0.95 0.23 0.00 0.00 176.91 176.61 2kmi s THR 59 N -5.84 1.93 -0.30 -0.77 -4.23 -1.01 -5.11 115.64 100.32 2kmi s THR 59 Ca -0.17 -1.01 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 2kmi s THR 59 Cb 0.05 -1.63 0.18 0.00 1.34 0.00 0.00 72.50 72.44 2kmi s THR 59 CO 0.61 0.54 1.10 -1.59 -0.54 0.00 0.00 174.62 174.74 2kmi s LYS 60 N -0.22 0.19 -0.15 3.99 -2.85 -1.26 -4.87 119.74 114.58 2kmi s LYS 60 Ca -0.01 0.49 -0.15 0.00 -1.00 0.00 0.00 55.97 55.30 2kmi s LYS 60 Cb -0.13 0.29 -0.12 0.00 -2.06 0.00 0.00 37.83 35.82 2kmi s LYS 60 CO 0.03 -0.07 0.19 -0.22 0.10 0.00 0.00 175.35 175.38 2kmi h LYS 61 N 7.35 0.00 -4.22 1.78 3.11 -1.95 -3.50 116.57 119.13 2kmi h LYS 61 Ca -0.15 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.62 2kmi h LYS 61 Cb 1.12 0.00 0.06 0.00 -1.00 0.00 0.00 32.23 32.41 2kmi h LYS 61 CO 0.07 0.48 -0.25 0.41 -2.81 0.00 0.00 179.45 177.35 2kmi n GLY 62 N 1.61 -0.41 3.25 5.01 0.00 -1.26 -4.94 105.19 108.46 2kmi n GLY 62 Ca -0.12 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2kmi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 63 N -3.41 0.82 0.21 1.61 -0.14 -1.15 -3.46 119.74 114.24 2kmi s LYS 63 Ca 0.13 -0.52 0.04 0.00 -1.36 0.00 0.00 55.97 54.26 2kmi s LYS 63 Cb -0.02 0.36 -0.03 0.00 -1.68 0.00 0.00 37.83 36.46 2kmi s LYS 63 CO 0.38 -0.27 0.34 0.95 -0.76 0.00 0.00 175.35 175.99 2kmi s THR 64 N -2.63 5.27 -0.09 2.17 -4.23 -1.17 -4.29 115.64 110.67 2kmi s THR 64 Ca -0.04 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2kmi s THR 64 Cb -0.01 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2kmi s THR 64 CO -0.04 -0.26 -0.08 -1.48 -0.54 0.00 0.00 174.62 172.22 2kmi s LEU 65 N -3.74 1.29 -0.30 4.79 2.34 -1.26 -4.47 118.68 117.33 2kmi s LEU 65 Ca 0.35 -0.27 -0.09 0.00 0.06 0.00 0.00 54.13 54.17 2kmi s LEU 65 Cb -0.10 -0.78 0.17 0.00 -0.56 0.00 0.00 46.19 44.92 2kmi s LEU 65 CO 0.29 -0.08 0.79 -0.32 -1.06 0.00 0.00 176.35 175.98 2kmi s MET 66 N 1.36 0.43 -0.21 1.48 1.75 -1.19 -3.63 119.30 119.30 2kmi s MET 66 Ca -0.02 0.91 -0.14 0.00 -1.25 0.00 0.00 55.69 55.19 2kmi s MET 66 Cb -0.14 0.53 0.06 0.00 2.84 0.00 0.00 34.83 38.13 2kmi s MET 66 CO -0.04 -0.31 0.53 -1.64 -0.65 0.00 0.00 175.02 172.91 2kmi s MET 67 N 2.79 0.56 -0.11 4.11 -1.94 -1.18 -0.11 119.30 123.41 2kmi s MET 67 Ca 0.05 0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 54.93 2kmi s MET 67 Cb -0.11 0.12 0.03 0.00 2.01 0.00 0.00 34.83 36.88 2kmi s MET 67 CO -0.18 -0.13 -0.07 -0.06 -0.01 0.00 0.00 175.02 174.57 2kmi s PHE 68 N 1.14 1.44 0.01 -0.03 0.08 -0.60 -3.11 117.98 116.91 2kmi s PHE 68 Ca -0.07 -0.72 -0.06 0.00 0.12 0.00 0.00 56.93 56.20 2kmi s PHE 68 Cb -0.06 -1.21 -0.00 0.00 -0.57 0.00 0.00 43.02 41.17 2kmi s PHE 68 CO -0.11 -0.51 0.11 0.08 -0.10 0.00 0.00 175.22 174.69 2kmi s VAL 69 N 1.72 0.09 -0.39 -0.44 1.01 -0.73 -0.07 120.40 121.59 2kmi s VAL 69 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2kmi s VAL 69 Cb -0.13 -0.43 0.21 0.00 0.00 0.00 0.00 36.38 36.04 2kmi s VAL 69 CO -0.08 -0.41 1.01 1.07 0.00 0.00 0.00 175.10 176.69 2kmi n THR 70 N 1.43 0.00 -3.58 3.92 5.66 -0.80 -1.06 114.28 119.85 2kmi n THR 70 Ca -0.23 -0.49 -0.05 0.00 -3.05 0.00 0.00 64.05 60.24 2kmi n THR 70 Cb 0.56 0.78 -0.02 0.00 -1.55 0.00 0.00 70.33 70.09 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 0.86 0.00 -0.24 1.08 0.11 -1.12 -0.57 120.40 120.53 2kmi s VAL 71 Ca 0.26 -0.05 -0.26 0.00 -2.93 0.00 0.00 61.98 58.99 2kmi s VAL 71 Cb 0.11 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2kmi s VAL 71 CO -0.10 0.00 0.90 -0.94 -3.33 0.00 0.00 175.10 171.64 2kmi s SER 72 N -2.37 6.93 0.00 3.54 1.04 -1.26 -3.24 113.70 118.34 2kmi s SER 72 Ca 0.09 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2kmi s SER 72 Cb -0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2kmi s SER 72 CO -0.05 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.20 2kmi n GLY 73 N 3.60 0.84 2.70 7.32 0.00 -1.26 -3.60 105.19 114.79 2kmi n GLY 73 Ca 0.08 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2kmi n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kmi n ASN 74 N 0.00 -1.96 -4.55 1.61 3.02 -1.15 -4.23 115.26 108.00 2kmi n ASN 74 Ca 0.00 -2.02 -0.38 0.00 -0.03 0.00 0.00 54.58 52.15 2kmi n ASN 74 Cb 0.00 1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 40.23 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kmi s PRO 75 N 0.57 2.62 -0.34 3.52 0.04 -1.26 -3.42 135.00 136.72 2kmi s PRO 75 Ca 0.27 0.57 0.14 0.00 0.04 0.00 0.00 61.00 62.03 2kmi s PRO 75 Cb 0.16 -4.42 0.43 0.00 0.04 0.00 0.00 34.50 30.71 2kmi s PRO 75 CO -0.12 -2.77 1.37 0.25 0.04 0.00 0.00 177.00 175.77 2kmi n THR 76 N 7.25 0.33 0.02 1.26 -2.24 -1.26 -4.99 114.28 114.65 2kmi n THR 76 Ca 0.21 -1.67 -0.10 0.00 -2.27 0.00 0.00 64.05 60.22 2kmi n THR 76 Cb 0.52 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 2kmi n THR 76 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2kmi h GLU 77 N 1.73 -0.33 -0.54 -0.78 4.81 -1.85 0.44 114.58 118.06 2kmi h GLU 77 Ca -0.32 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.04 2kmi h GLU 77 Cb 1.28 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.65 2kmi h GLU 77 CO -0.03 -0.22 0.06 1.57 -0.73 0.00 0.00 179.01 179.66 2kmi h LYS 78 N -0.34 0.17 -0.65 1.92 2.10 -1.99 -0.09 116.57 117.70 2kmi h LYS 78 Ca 0.09 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.70 2kmi h LYS 78 Cb 0.47 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.73 2kmi h LYS 78 CO -0.28 0.12 0.31 0.93 -2.00 0.00 0.00 179.45 178.53 2kmi h GLU 79 N 0.18 0.91 -0.34 0.07 5.08 -1.79 -2.75 114.58 115.94 2kmi h GLU 79 Ca 0.28 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2kmi h GLU 79 Cb 0.42 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2kmi h GLU 79 CO -0.41 0.71 0.19 1.15 -1.00 0.00 0.00 179.01 179.65 2kmi h THR 80 N 0.91 1.02 -0.85 1.13 2.02 0.94 -2.43 112.91 115.66 2kmi h THR 80 Ca 0.23 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.41 2kmi h THR 80 Cb 0.09 0.59 -0.09 0.00 -1.74 0.00 0.00 68.15 67.00 2kmi h THR 80 CO -0.03 0.07 0.45 -0.08 0.37 0.00 0.00 175.52 176.30 2kmi h GLU 81 N 0.39 0.65 -0.16 6.66 4.81 -1.07 0.24 114.58 126.10 2kmi h GLU 81 Ca 0.14 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2kmi h GLU 81 Cb 0.02 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2kmi h GLU 81 CO -0.08 0.43 0.16 1.49 -0.73 0.00 0.00 179.01 180.29 2kmi h GLU 82 N 0.67 0.00 -0.31 1.92 4.57 -1.38 -0.37 114.58 119.68 2kmi h GLU 82 Ca 0.45 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.55 2kmi h GLU 82 Cb 0.59 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2kmi h GLU 82 CO -0.33 0.00 -0.13 0.82 -1.18 0.00 0.00 179.01 178.18 2kmi h ILE 83 N 0.00 1.24 -0.84 2.32 2.04 -0.46 -2.92 117.51 118.88 2kmi h ILE 83 Ca 0.08 -1.06 0.16 0.00 1.00 0.00 0.00 64.86 65.03 2kmi h ILE 83 Cb 0.40 1.15 -0.10 0.00 -0.74 0.00 0.00 36.82 37.53 2kmi h ILE 83 CO -0.00 0.35 0.40 0.74 0.00 0.00 0.00 178.15 179.64 2kmi h THR 84 N 0.49 0.66 -0.00 -0.27 2.02 -1.08 -1.50 112.91 113.24 2kmi h THR 84 Ca 0.09 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 2kmi h THR 84 Cb 0.52 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 2kmi h THR 84 CO 0.03 0.10 0.00 0.28 0.37 0.00 0.00 175.52 176.30 2kmi h SER 85 N 0.54 0.00 -0.52 4.18 0.02 -1.64 -2.61 113.55 113.52 2kmi h SER 85 Ca 0.47 -0.22 0.15 0.00 -0.84 0.00 0.00 61.79 61.36 2kmi h SER 85 Cb 0.73 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2kmi h SER 85 CO -0.41 0.22 0.44 -0.07 -1.14 0.00 0.00 176.83 175.87 2kmi h LEU 86 N -0.22 0.00 -0.65 5.07 3.38 -1.31 -1.13 115.31 120.45 2kmi h LEU 86 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 2kmi h LEU 86 Cb 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 2kmi h LEU 86 CO -0.00 0.00 0.20 -0.25 0.09 0.00 0.00 178.44 178.48 2kmi h TRP 87 N 0.00 0.33 -0.98 1.13 2.91 -0.93 -0.18 115.95 118.22 2kmi h TRP 87 Ca 0.25 0.04 0.17 0.00 1.13 0.00 0.00 58.89 60.48 2kmi h TRP 87 Cb 1.12 -0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 29.63 2kmi h TRP 87 CO 0.00 0.01 0.59 0.37 -1.03 0.00 0.00 178.44 178.39 2kmi h GLN 88 N 0.34 0.76 -0.67 2.65 4.15 -1.32 -0.87 115.11 120.15 2kmi h GLN 88 Ca 0.35 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.78 2kmi h GLN 88 Cb 0.51 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 2kmi h GLN 88 CO -0.39 0.50 0.37 0.78 -1.93 0.00 0.00 178.83 178.15 2kmi h GLY 89 N 0.78 0.98 1.35 2.39 0.00 -1.15 -1.02 103.07 106.39 2kmi h GLY 89 Ca 0.55 -0.25 0.09 0.00 0.00 0.00 0.00 47.33 47.73 2kmi h GLY 89 CO -0.36 0.14 0.24 0.23 0.00 0.00 0.00 176.54 176.79 2kmi h SER 90 N 0.67 0.00 -0.03 0.19 0.87 -1.10 -2.52 113.55 111.63 2kmi h SER 90 Ca 0.30 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.90 2kmi h SER 90 Cb 0.20 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.11 2kmi h SER 90 CO -0.19 0.00 -0.38 0.25 -0.53 0.00 0.00 176.83 175.97 2kmi h LEU 91 N 0.00 -1.17 -1.57 2.23 6.46 -1.12 -0.52 115.31 119.62 2kmi h LEU 91 Ca 0.15 0.15 0.06 0.00 -0.12 0.00 0.00 57.88 58.12 2kmi h LEU 91 Cb 0.62 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 2kmi h LEU 91 CO -0.00 -0.43 0.37 0.15 -0.62 0.00 0.00 178.44 177.91 2kmi h PHE 92 N -0.52 0.53 1.00 1.25 3.04 -1.55 -2.86 116.94 117.83 2kmi h PHE 92 Ca 0.06 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 2kmi h PHE 92 Cb 0.62 -0.18 0.01 0.00 2.56 0.00 0.00 35.95 38.96 2kmi h PHE 92 CO -0.41 0.29 -0.48 -0.97 -2.02 0.00 0.00 178.31 174.72 2kmi h ASN 93 N 0.53 -1.13 0.00 0.41 -1.24 -1.09 -3.43 115.58 109.62 2kmi h ASN 93 Ca 0.24 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2kmi h ASN 93 Cb 0.27 0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2kmi h ASN 93 CO -0.07 -0.80 0.00 0.00 -1.29 0.00 0.00 177.43 175.27 2kmi n ALA 94 N -2.67 1.72 -2.66 1.57 0.00 -0.52 -1.79 120.51 116.15 2kmi n ALA 94 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 2kmi n ALA 94 Cb 0.53 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.08 2kmi n ALA 94 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kmi n ASN 95 N -1.28 -1.23 -2.41 0.00 4.05 -1.24 -4.89 115.26 108.26 2kmi n ASN 95 Ca 0.00 -1.83 -0.05 0.00 0.45 0.00 0.00 54.58 53.15 2kmi n ASN 95 Cb 0.00 1.05 -0.04 0.00 1.23 0.00 0.00 39.78 42.02 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 2kmi n TYR 96 N 0.70 -3.83 -3.31 1.20 4.01 -1.25 -4.97 117.16 109.72 2kmi n TYR 96 Ca -0.04 2.23 -0.28 0.00 -0.16 0.00 0.00 57.90 59.64 2kmi n TYR 96 Cb 0.75 -3.56 -0.07 0.00 -0.31 0.00 0.00 39.34 36.15 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 1.44 4.13 -4.13 7.72 8.00 -1.25 -5.04 116.55 127.42 2kmi n ASP 97 Ca -0.36 -3.49 -0.20 0.00 0.71 0.00 0.00 54.79 51.45 2kmi n ASP 97 Cb 0.56 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 2kmi n ASP 97 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kmi s VAL 98 N -2.84 1.10 -0.08 2.53 -7.23 -1.26 -1.35 120.40 111.27 2kmi s VAL 98 Ca 0.41 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.53 2kmi s VAL 98 Cb 0.16 -0.98 0.03 0.00 0.56 0.00 0.00 36.38 36.16 2kmi s VAL 98 CO -0.02 0.07 0.35 -1.58 -0.31 0.00 0.00 175.10 173.61 2kmi s GLN 99 N -0.95 0.57 -0.09 4.82 -0.44 0.84 -5.00 119.66 119.42 2kmi s GLN 99 Ca 0.02 0.17 -0.14 0.00 -2.50 0.00 0.00 55.36 52.91 2kmi s GLN 99 Cb -0.07 0.26 0.03 0.00 -1.64 0.00 0.00 33.01 31.59 2kmi s GLN 99 CO 0.01 -0.12 0.35 -0.98 0.50 0.00 0.00 175.29 175.05 2kmi s ARG 100 N -0.58 0.54 0.02 1.67 3.03 -1.26 -1.09 118.95 121.28 2kmi s ARG 100 Ca -0.07 0.23 0.02 0.00 2.03 0.00 0.00 55.73 57.94 2kmi s ARG 100 Cb -0.04 0.25 -0.02 0.00 -1.03 0.00 0.00 34.95 34.12 2kmi s ARG 100 CO 0.03 -0.11 -0.08 0.12 -1.13 0.00 0.00 175.30 174.13 2kmi s PHE 101 N -0.44 0.70 -0.11 5.89 5.36 -0.92 -4.70 117.98 123.76 2kmi s PHE 101 Ca -0.06 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.60 2kmi s PHE 101 Cb -0.04 -0.43 0.02 0.00 -0.34 0.00 0.00 43.02 42.24 2kmi s PHE 101 CO 0.02 -0.03 -0.07 0.96 -1.46 0.00 0.00 175.22 174.64 2kmi s ILE 102 N -0.78 0.99 -0.14 3.12 -4.36 -1.26 -1.65 121.20 117.12 2kmi s ILE 102 Ca -0.03 -0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 59.97 2kmi s ILE 102 Cb -0.06 -1.01 0.04 0.00 1.25 0.00 0.00 42.46 42.67 2kmi s ILE 102 CO 0.00 0.36 0.36 0.54 0.24 0.00 0.00 174.94 176.45 2kmi s VAL 103 N 1.68 -0.01 0.00 8.37 0.11 -1.18 -5.06 120.40 124.31 2kmi s VAL 103 Ca 0.04 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2kmi s VAL 103 Cb -0.13 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2kmi s VAL 103 CO -0.08 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 2kmi n GLY 104 N 3.15 1.66 1.05 6.54 0.00 -1.26 -3.12 105.19 113.21 2kmi n GLY 104 Ca -0.15 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 2.75 3.25 -4.25 1.61 7.64 -1.26 -4.93 113.62 118.44 2kmi n SER 105 Ca 0.00 -1.96 -0.25 0.00 1.01 0.00 0.00 58.87 57.67 2kmi n SER 105 Cb 0.00 -0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.53 2.46 0.05 6.43 -4.77 -1.18 -4.32 116.67 113.81 2kmi s ASP 106 Ca 0.34 -0.53 0.07 0.00 -3.30 0.00 0.00 52.55 49.14 2kmi s ASP 106 Cb 0.21 -0.20 -0.03 0.00 -1.09 0.00 0.00 42.92 41.81 2kmi s ASP 106 CO 0.29 0.15 -0.20 -0.13 0.70 0.00 0.00 175.17 175.99 2kmi s ARG 107 N -1.20 1.32 0.06 2.11 3.00 -1.20 -3.11 118.95 119.93 2kmi s ARG 107 Ca 0.07 -0.97 0.09 0.00 0.00 0.00 0.00 55.73 54.93 2kmi s ARG 107 Cb -0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 34.95 33.37 2kmi s ARG 107 CO 0.02 0.37 -0.26 0.00 0.00 0.00 0.00 175.30 175.42 2kmi s ALA 108 N -0.86 2.28 -0.01 2.13 0.00 -0.66 -2.78 121.76 121.84 2kmi s ALA 108 Ca 0.07 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.74 2kmi s ALA 108 Cb -0.09 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2kmi s ALA 108 CO 0.02 0.54 -0.03 -1.50 0.00 0.00 0.00 175.76 174.78 2kmi s ILE 109 N -0.84 0.34 -0.13 0.00 1.10 -0.22 -2.16 121.20 119.28 2kmi s ILE 109 Ca 0.12 -0.12 -0.05 0.00 -0.51 0.00 0.00 60.65 60.09 2kmi s ILE 109 Cb -0.10 -0.33 0.06 0.00 0.15 0.00 0.00 42.46 42.25 2kmi s ILE 109 CO 0.03 0.13 0.25 0.12 -2.11 0.00 0.00 174.94 173.36 2kmi s PHE 110 N 0.28 -0.40 -0.04 3.50 5.36 -0.25 -1.77 117.98 124.66 2kmi s PHE 110 Ca -0.03 0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 56.85 2kmi s PHE 110 Cb -0.06 -0.06 0.03 0.00 -0.34 0.00 0.00 43.02 42.58 2kmi s PHE 110 CO -0.00 -0.36 0.09 0.00 -1.46 0.00 0.00 175.22 173.48 2kmi s MET 111 N 2.41 0.05 -0.01 10.12 0.23 -1.18 -0.11 119.30 130.80 2kmi s MET 111 Ca 0.02 0.23 -0.16 0.00 -1.03 0.00 0.00 55.69 54.75 2kmi s MET 111 Cb -0.12 -0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.07 2kmi s MET 111 CO -0.08 -0.12 0.33 -1.17 -2.03 0.00 0.00 175.02 171.94 2kmi s LEU 112 N 0.80 0.77 0.33 0.18 2.96 -0.46 -3.13 118.68 120.14 2kmi s LEU 112 Ca -0.06 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 2kmi s LEU 112 Cb -0.09 1.34 0.58 0.00 0.50 0.00 0.00 46.19 48.52 2kmi s LEU 112 CO -0.03 -0.46 1.80 0.08 -1.32 0.00 0.00 176.35 176.41 2kmi h ARG 113 N 3.78 0.31 0.00 1.98 -0.00 -1.80 -3.32 114.38 115.33 2kmi h ARG 113 Ca -0.30 -0.10 0.00 0.00 -0.00 0.00 0.00 59.98 59.58 2kmi h ARG 113 Cb 1.18 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 2kmi h ARG 113 CO 0.40 0.54 -0.07 -0.44 -0.00 0.00 0.00 179.97 180.41 2kmi h ASP 114 N 0.28 0.00 0.00 0.08 3.32 -1.91 -3.36 116.42 114.83 2kmi h ASP 114 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2kmi h ASP 114 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2kmi h ASP 114 CO 0.04 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 2kmi n GLY 115 N 1.82 1.12 0.38 2.75 0.00 -1.25 -4.67 105.19 105.34 2kmi n GLY 115 Ca -0.01 -0.75 0.16 0.00 0.00 0.00 0.00 46.02 45.41 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 0.61 0.35 1.61 0.02 -1.95 0.25 113.55 114.44 2kmi h SER 116 Ca 0.00 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2kmi h SER 116 Cb 0.00 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 2kmi h SER 116 CO 0.00 0.24 -0.52 0.22 -1.14 0.00 0.00 176.83 175.63 2kmi h TYR 117 N 0.61 -1.47 -0.00 3.45 3.20 -2.01 -2.39 116.97 118.37 2kmi h TYR 117 Ca 0.52 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.31 2kmi h TYR 117 Cb 1.00 0.60 -0.02 0.00 1.54 0.00 0.00 36.73 39.85 2kmi h TYR 117 CO -0.00 -0.65 -0.50 0.00 -1.64 0.00 0.00 178.16 175.37 2kmi h ALA 118 N -0.75 1.17 -0.82 1.82 0.00 -1.78 -2.96 119.26 115.93 2kmi h ALA 118 Ca -0.04 -0.46 0.24 0.00 0.00 0.00 0.00 54.91 54.65 2kmi h ALA 118 Cb 0.83 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2kmi h ALA 118 CO -0.16 0.63 0.59 2.35 0.00 0.00 0.00 179.25 182.67 2kmi h TRP 119 N 0.00 0.00 0.94 0.00 2.91 -0.01 0.27 115.95 120.05 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 0.89 -0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.55 2kmi h TRP 119 CO 0.00 0.00 -0.45 0.93 -1.03 0.00 0.00 178.44 177.89 2kmi h GLU 120 N 0.00 -1.21 0.00 2.65 4.39 -1.31 -3.05 114.58 116.05 2kmi h GLU 120 Ca 0.39 0.08 -0.10 0.00 0.34 0.00 0.00 59.36 60.07 2kmi h GLU 120 Cb 1.57 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 30.48 2kmi h GLU 120 CO -0.01 -0.81 -0.50 0.82 -1.16 0.00 0.00 179.01 177.36 2kmi h ILE 121 N -1.34 1.35 -0.86 3.13 1.08 -1.54 -2.96 117.51 116.38 2kmi h ILE 121 Ca -0.13 -1.71 0.23 0.00 -0.39 0.00 0.00 64.86 62.87 2kmi h ILE 121 Cb 0.97 1.92 -0.05 0.00 -3.07 0.00 0.00 36.82 36.59 2kmi h ILE 121 CO 0.21 0.49 0.60 0.50 -0.69 0.00 0.00 178.15 179.26 2kmi h LYS 122 N 0.00 0.13 0.43 2.37 3.11 -0.43 -0.42 116.57 121.77 2kmi h LYS 122 Ca -0.00 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2kmi h LYS 122 Cb 0.88 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.05 2kmi h LYS 122 CO 0.06 0.09 -0.52 -0.44 -2.81 0.00 0.00 179.45 175.84 2kmi h ASP 123 N 0.14 -1.45 0.47 4.20 5.19 -1.41 0.96 116.42 124.52 2kmi h ASP 123 Ca 0.42 0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.85 2kmi h ASP 123 Cb 1.46 0.49 -0.01 0.00 0.18 0.00 0.00 39.33 41.45 2kmi h ASP 123 CO -0.07 -0.65 -0.50 0.15 -3.12 0.00 0.00 179.24 175.05 2kmi h PHE 124 N -0.97 0.05 0.99 4.55 3.57 -1.57 -2.36 116.94 121.21 2kmi h PHE 124 Ca -0.05 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 2kmi h PHE 124 Cb 0.86 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.60 2kmi h PHE 124 CO -0.30 0.54 -0.48 1.25 -2.23 0.00 0.00 178.31 177.09 2kmi h LEU 125 N 0.03 -1.13 -1.72 0.59 6.46 -0.68 -2.87 115.31 115.99 2kmi h LEU 125 Ca -0.00 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.77 2kmi h LEU 125 Cb 0.90 0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 2kmi h LEU 125 CO 0.07 -0.80 -0.14 -0.37 -0.62 0.00 0.00 178.44 176.57 2kmi h VAL 126 N -1.35 1.10 -0.79 1.05 -1.51 -0.87 -2.27 116.25 111.62 2kmi h VAL 126 Ca -0.14 -0.49 0.23 0.00 -1.23 0.00 0.00 66.70 65.07 2kmi h VAL 126 Cb 1.02 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.41 2kmi h VAL 126 CO 0.22 0.14 0.57 0.28 -1.23 0.00 0.00 177.57 177.55 2kmi h SER 127 N 0.00 0.01 -0.59 4.19 0.02 -1.19 -0.04 113.55 115.95 2kmi h SER 127 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2kmi h SER 127 Cb 0.25 -0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 2kmi h SER 127 CO 0.02 0.00 0.32 1.56 -1.14 0.00 0.00 176.83 177.59 2kmi h GLN 128 N 0.01 0.59 -2.27 3.45 1.08 -1.37 -3.46 115.11 113.14 2kmi h GLN 128 Ca 0.37 -0.04 -0.35 0.00 -1.45 0.00 0.00 58.65 57.19 2kmi h GLN 128 Cb 1.49 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.76 2kmi h GLN 128 CO -0.01 0.39 -0.43 -3.47 -0.95 0.00 0.00 178.83 174.36 2kmi n ASP 129 N -4.82 -5.11 -2.67 1.46 2.03 -0.03 -4.85 116.55 102.56 2kmi n ASP 129 Ca 0.06 0.04 -0.04 0.00 0.52 0.00 0.00 54.79 55.38 2kmi n ASP 129 Cb 0.14 -4.19 0.10 0.00 -0.72 0.00 0.00 41.12 36.45 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kmi n ARG 130 N -2.65 0.20 -3.75 -0.67 0.63 0.27 -4.59 116.66 106.10 2kmi n ARG 130 Ca -0.20 -0.79 -0.13 0.00 -0.92 0.00 0.00 57.85 55.80 2kmi n ARG 130 Cb 0.65 -0.25 -0.10 0.00 0.45 0.00 0.00 32.46 33.21 2kmi n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kmi s ALA 132 N -0.39 1.44 -0.02 0.00 0.00 -1.26 -1.90 121.76 119.62 2kmi s ALA 132 Ca -0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2kmi s ALA 132 Cb -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2kmi s ALA 132 CO 0.02 -0.42 0.12 -1.21 0.00 0.00 0.00 175.76 174.27 2kmi s GLU 133 N 1.66 0.31 -0.14 0.00 8.01 0.90 -3.76 118.70 125.68 2kmi s GLU 133 Ca 0.05 -0.14 -0.09 0.00 0.01 0.00 0.00 54.97 54.80 2kmi s GLU 133 Cb -0.13 0.13 0.05 0.00 -4.31 0.00 0.00 34.13 29.88 2kmi s GLU 133 CO -0.09 -0.06 0.35 0.54 0.01 0.00 0.00 175.26 176.01 2kmi s VAL 134 N -0.70 -0.02 -0.10 2.63 0.11 -1.26 -1.56 120.40 119.50 2kmi s VAL 134 Ca -0.08 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2kmi s VAL 134 Cb -0.05 -0.52 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2kmi s VAL 134 CO 0.01 0.04 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.88 2kmi s THR 135 N 1.11 0.78 -0.04 5.04 2.01 0.84 -3.76 115.64 121.62 2kmi s THR 135 Ca -0.08 -0.14 -0.02 0.00 0.31 0.00 0.00 61.69 61.77 2kmi s THR 135 Cb -0.08 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.61 2kmi s THR 135 CO -0.09 0.32 0.05 -1.48 -0.69 0.00 0.00 174.62 172.74 2kmi s LEU 136 N 1.81 0.18 0.15 4.42 0.05 -1.26 -3.15 118.68 120.88 2kmi s LEU 136 Ca 0.05 0.06 0.04 0.00 0.05 0.00 0.00 54.13 54.34 2kmi s LEU 136 Cb -0.12 -0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 43.80 2kmi s LEU 136 CO -0.07 -0.24 -0.10 -1.61 -0.55 0.00 0.00 176.35 173.78 2kmi s GLU 137 N 2.15 1.06 -0.43 1.48 0.41 -1.26 -4.81 118.70 117.30 2kmi s GLU 137 Ca 0.05 -1.45 0.05 0.00 -0.41 0.00 0.00 54.97 53.21 2kmi s GLU 137 Cb -0.12 -0.61 0.29 0.00 -1.78 0.00 0.00 34.13 31.92 2kmi s GLU 137 CO -0.03 0.07 1.13 0.41 -0.49 0.00 0.00 175.26 176.34 2kmi n GLY 138 N -0.19 -0.25 3.34 -1.39 0.00 -1.26 -3.04 105.19 102.40 2kmi n GLY 138 Ca -0.10 0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 0.32 3.42 -1.65 1.61 2.00 -1.26 -4.52 119.66 119.58 2kmi s GLN 139 Ca 0.25 -0.62 0.00 0.00 -2.00 0.00 0.00 55.36 52.99 2kmi s GLN 139 Cb 0.26 -2.94 0.00 0.00 0.80 0.00 0.00 33.01 31.14 2kmi s GLN 139 CO -0.14 -0.08 0.00 -1.33 -0.50 0.00 0.00 175.29 173.24 2kmi n MET 140 N 4.44 -1.31 -3.07 1.67 2.81 -1.26 -3.35 117.12 117.05 2kmi n MET 140 Ca -0.18 0.96 -0.01 0.00 -1.81 0.00 0.00 57.70 56.67 2kmi n MET 140 Cb 0.51 -5.33 0.00 0.00 -0.71 0.00 0.00 33.22 27.70 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kmi n TYR 141 N -3.33 -2.98 -0.71 2.03 4.01 -1.26 -4.74 117.16 110.18 2kmi n TYR 141 Ca -0.19 1.14 -0.12 0.00 -0.16 0.00 0.00 57.90 58.57 2kmi n TYR 141 Cb 0.62 -4.09 0.10 0.00 -0.31 0.00 0.00 39.34 35.66 2kmi n TYR 141 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2kmi n PRO 142 N -1.77 -1.83 0.00 -0.72 -0.04 -1.21 -3.16 135.00 126.27 2kmi n PRO 142 Ca -0.01 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 2kmi n PRO 142 Cb 0.50 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 2kmi n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kmi n GLY 143 N -0.32 3.73 0.36 0.55 0.00 -1.26 -1.70 105.19 106.55 2kmi n GLY 143 Ca 0.06 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.39 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 0.86 0.00 1.61 5.09 -1.77 -3.33 116.57 119.03 2kmi h LYS 144 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.69 2kmi h LYS 144 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 32.23 32.14 2kmi h LYS 144 CO 0.00 0.57 0.00 0.41 -2.09 0.00 0.00 179.45 178.34