#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi s LYS 2 N 0.00 0.04 0.57 5.56 -2.85 -1.26 -5.01 119.74 116.79 2kmi s LYS 2 Ca 0.00 0.07 0.28 0.00 -1.00 0.00 0.00 55.97 55.32 2kmi s LYS 2 Cb 0.00 0.01 1.50 0.00 -2.06 0.00 0.00 37.83 37.28 2kmi s LYS 2 CO 0.00 -0.01 1.99 0.87 0.10 0.00 0.00 175.35 178.30 2kmi h LYS 3 N 5.05 0.00 -1.01 1.78 1.57 -2.02 0.24 116.57 122.19 2kmi h LYS 3 Ca -0.26 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.10 2kmi h LYS 3 Cb 1.16 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.22 2kmi h LYS 3 CO 0.23 0.00 0.53 0.36 -0.57 0.00 0.00 179.45 180.00 2kmi n LYS 4 N -3.96 2.01 -1.23 3.15 2.85 -1.26 -2.44 118.16 117.28 2kmi n LYS 4 Ca 0.07 -2.41 -0.36 0.00 -1.05 0.00 0.00 58.31 54.57 2kmi n LYS 4 Cb 0.56 -1.94 -0.02 0.00 -0.65 0.00 0.00 35.03 32.97 2kmi n LYS 4 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2kmi n ASP 5 N -0.81 6.69 -4.91 -5.58 5.68 0.85 -4.90 116.55 113.56 2kmi n ASP 5 Ca 0.48 -2.56 -0.28 0.00 -0.50 0.00 0.00 54.79 51.93 2kmi n ASP 5 Cb 1.42 -1.43 -0.04 0.00 -1.14 0.00 0.00 41.12 39.93 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2kmi s ILE 6 N 2.81 5.21 -0.92 2.12 -4.36 -1.26 -4.88 121.20 119.92 2kmi s ILE 6 Ca 0.58 -0.63 -0.06 0.00 -0.26 0.00 0.00 60.65 60.28 2kmi s ILE 6 Cb 0.15 -3.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.23 2kmi s ILE 6 CO -0.05 -0.00 2.82 0.54 0.24 0.00 0.00 174.94 178.49 2kmi n ARG 7 N -0.19 3.38 -3.10 0.37 1.74 -1.26 -4.61 116.66 112.98 2kmi n ARG 7 Ca -0.07 -2.48 -0.22 0.00 -0.77 0.00 0.00 57.85 54.31 2kmi n ARG 7 Cb 0.53 -2.42 0.04 0.00 -1.02 0.00 0.00 32.46 29.59 2kmi n ARG 7 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kmi n ASP 8 N 2.00 -6.16 -2.79 0.55 -0.08 -1.26 -3.89 116.55 104.91 2kmi n ASP 8 Ca 0.59 -0.32 -0.01 0.00 -1.51 0.00 0.00 54.79 53.53 2kmi n ASP 8 Cb 0.44 -4.94 0.00 0.00 2.34 0.00 0.00 41.12 38.96 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 -4.59 -3.54 0.00 -0.67 4.01 -1.26 -5.02 117.16 106.08 2kmi n TYR 9 Ca -0.09 1.56 0.00 0.00 -0.16 0.00 0.00 57.90 59.20 2kmi n TYR 9 Cb 0.61 -3.69 0.00 0.00 -0.31 0.00 0.00 39.34 35.95 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 0.67 0.00 -1.58 7.72 3.02 -1.25 -5.04 115.26 118.80 2kmi n ASN 10 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 2kmi n ASN 10 Cb 0.10 0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.30 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2kmi n ASP 11 N -1.86 -1.06 0.20 6.41 5.68 -1.26 -4.96 116.55 119.69 2kmi n ASP 11 Ca 0.00 -1.91 0.07 0.00 -0.50 0.00 0.00 54.79 52.45 2kmi n ASP 11 Cb 0.00 0.41 0.58 0.00 -1.14 0.00 0.00 41.12 40.97 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kmi h ALA 12 N 0.35 1.91 -0.87 2.12 0.00 -1.96 -1.92 119.26 118.90 2kmi h ALA 12 Ca -0.47 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.58 2kmi h ALA 12 Cb 1.30 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2kmi h ALA 12 CO -0.22 0.08 0.56 -0.44 0.00 0.00 0.00 179.25 179.23 2kmi h ASP 13 N 0.13 0.55 -0.12 0.00 3.32 -1.95 0.24 116.42 118.59 2kmi h ASP 13 Ca 0.03 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.16 2kmi h ASP 13 Cb 0.01 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2kmi h ASP 13 CO -0.01 0.27 0.17 -0.03 -1.72 0.00 0.00 179.24 177.92 2kmi h MET 14 N 0.58 0.00 -0.17 3.56 4.05 -1.58 -0.57 114.93 120.80 2kmi h MET 14 Ca 0.44 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.91 2kmi h MET 14 Cb 0.84 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 2kmi h MET 14 CO -0.19 0.00 0.22 0.00 0.23 0.00 0.00 176.91 177.17 2kmi h ALA 15 N 1.77 1.72 -0.61 0.39 0.00 -0.68 -0.99 119.26 120.85 2kmi h ALA 15 Ca 0.05 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2kmi h ALA 15 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2kmi h ALA 15 CO -0.00 -0.31 0.49 0.00 0.00 0.00 0.00 179.25 179.43 2kmi h ARG 16 N 0.00 0.00 -0.82 0.00 -0.00 -1.27 0.50 114.38 112.80 2kmi h ARG 16 Ca 0.08 0.00 0.24 0.00 -0.50 0.00 0.00 59.98 59.79 2kmi h ARG 16 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.45 2kmi h ARG 16 CO -0.00 0.00 0.59 1.37 0.00 0.00 0.00 179.97 181.93 2kmi h LEU 17 N 0.00 0.01 -2.02 3.04 8.10 -1.40 0.22 115.31 123.26 2kmi h LEU 17 Ca 0.29 0.00 0.14 0.00 0.11 0.00 0.00 57.88 58.43 2kmi h LEU 17 Cb 1.26 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.46 2kmi h LEU 17 CO -0.00 0.01 0.38 -0.07 -4.11 0.00 0.00 178.44 174.64 2kmi h LEU 18 N 0.01 0.00 -1.52 0.17 3.38 -1.12 -0.41 115.31 115.83 2kmi h LEU 18 Ca 0.39 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.57 2kmi h LEU 18 Cb 1.54 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.23 2kmi h LEU 18 CO -0.01 0.00 0.60 -0.33 0.09 0.00 0.00 178.44 178.79 2kmi h GLU 19 N 0.00 0.39 -0.45 1.13 5.08 -0.76 0.24 114.58 120.20 2kmi h GLU 19 Ca 0.23 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.70 2kmi h GLU 19 Cb 0.99 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2kmi h GLU 19 CO -0.00 0.26 0.39 -0.56 -1.00 0.00 0.00 179.01 178.10 2kmi h GLN 20 N 0.40 0.00 -1.00 2.33 -0.00 -1.00 -0.64 115.11 115.20 2kmi h GLN 20 Ca 0.47 0.00 0.16 0.00 -0.00 0.00 0.00 58.65 59.28 2kmi h GLN 20 Cb 1.18 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.57 2kmi h GLN 20 CO -0.18 0.00 0.62 2.35 -0.00 0.00 0.00 178.83 181.62 2kmi h TRP 21 N 0.00 1.09 0.67 0.06 2.91 -0.70 -2.67 115.95 117.31 2kmi h TRP 21 Ca 0.21 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.23 2kmi h TRP 21 Cb 1.00 -0.34 0.01 0.00 -0.51 0.00 0.00 29.16 29.32 2kmi h TRP 21 CO 0.00 0.33 -0.32 1.49 -1.03 0.00 0.00 178.44 178.91 2kmi h GLU 22 N 0.86 -0.87 -2.48 2.65 4.57 -1.29 -3.46 114.58 114.55 2kmi h GLU 22 Ca 0.54 0.06 -0.33 0.00 -1.18 0.00 0.00 59.36 58.44 2kmi h GLU 22 Cb 0.73 0.20 -0.07 0.00 -0.16 0.00 0.00 28.75 29.45 2kmi h GLU 22 CO -0.32 -0.57 -0.37 1.17 -1.18 0.00 0.00 179.01 177.73 2kmi n LYS 23 N -5.38 -1.71 0.19 1.92 4.81 -1.01 -4.82 118.16 112.17 2kmi n LYS 23 Ca -0.11 0.88 0.06 0.00 -0.87 0.00 0.00 58.31 58.26 2kmi n LYS 23 Cb 0.36 -5.37 0.33 0.00 0.02 0.00 0.00 35.03 30.37 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 -5.09 3.14 1.82 -1.86 -3.48 116.42 110.96 2kmi h ASP 24 Ca -0.37 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 55.97 2kmi h ASP 24 Cb 1.20 0.00 0.13 0.00 0.68 0.00 0.00 39.33 41.34 2kmi h ASP 24 CO 0.48 0.38 -0.62 -0.67 -1.61 0.00 0.00 179.24 177.19 2kmi n ASP 25 N -3.54 -3.40 0.18 2.28 2.03 -1.25 -4.87 116.55 107.98 2kmi n ASP 25 Ca -0.00 -0.50 0.17 0.00 0.52 0.00 0.00 54.79 54.98 2kmi n ASP 25 Cb 0.51 -4.38 0.80 0.00 -0.72 0.00 0.00 41.12 37.33 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kmi h ASP 26 N -1.86 0.00 -4.14 1.67 5.19 -1.81 -3.41 116.42 112.06 2kmi h ASP 26 Ca -0.49 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.35 2kmi h ASP 26 Cb 1.30 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.59 2kmi h ASP 26 CO 0.44 0.00 -0.83 -0.63 -3.12 0.00 0.00 179.24 175.10 2kmi s ILE 27 N -4.69 1.77 -0.13 0.35 -1.09 -1.26 -5.04 121.20 111.11 2kmi s ILE 27 Ca -0.05 -1.57 0.18 0.00 -2.23 0.00 0.00 60.65 56.98 2kmi s ILE 27 Cb 0.16 -1.61 -0.24 0.00 -1.58 0.00 0.00 42.46 39.20 2kmi s ILE 27 CO 0.57 -0.05 0.43 1.21 -1.23 0.00 0.00 174.94 175.87 2kmi n GLU 28 N 1.05 0.66 -2.51 2.79 2.13 -1.26 -4.97 120.64 118.53 2kmi n GLU 28 Ca -0.19 0.03 -0.25 0.00 0.66 0.00 0.00 57.16 57.41 2kmi n GLU 28 Cb 0.54 -1.62 0.13 0.00 0.27 0.00 0.00 31.44 30.76 2kmi n GLU 28 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2kmi s GLU 29 N -2.87 1.37 0.00 5.31 8.01 -1.26 -4.98 118.70 124.28 2kmi s GLU 29 Ca -0.07 -1.12 0.00 0.00 0.01 0.00 0.00 54.97 53.79 2kmi s GLU 29 Cb 0.09 -2.25 0.00 0.00 -4.31 0.00 0.00 34.13 27.66 2kmi s GLU 29 CO 0.84 -1.71 0.00 0.41 0.01 0.00 0.00 175.26 174.82 2kmi n GLY 30 N -3.03 0.51 3.69 -1.39 0.00 -1.25 -4.93 105.19 98.78 2kmi n GLY 30 Ca 0.16 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 5.78 0.27 1.61 -4.77 -1.26 -3.56 116.67 114.74 2kmi s ASP 31 Ca 0.00 0.17 0.09 0.00 -3.30 0.00 0.00 52.55 49.51 2kmi s ASP 31 Cb 0.00 -1.94 -0.04 0.00 -1.09 0.00 0.00 42.92 39.85 2kmi s ASP 31 CO 0.00 0.24 0.05 -0.76 0.70 0.00 0.00 175.17 175.40 2kmi s LEU 32 N -0.01 3.32 -1.08 2.11 1.02 -1.26 -5.02 118.68 117.75 2kmi s LEU 32 Ca 0.07 -0.59 -0.23 0.00 0.02 0.00 0.00 54.13 53.40 2kmi s LEU 32 Cb -0.12 -1.83 -0.07 0.00 0.02 0.00 0.00 46.19 44.18 2kmi s LEU 32 CO 0.01 -0.04 1.94 -2.16 0.02 0.00 0.00 176.35 176.12 2kmi s PRO 33 N -3.73 2.51 0.57 1.29 0.04 -1.26 -4.94 135.00 129.48 2kmi s PRO 33 Ca 0.32 -0.82 -0.00 0.00 0.04 0.00 0.00 61.00 60.54 2kmi s PRO 33 Cb -0.06 -5.17 0.04 0.00 0.04 0.00 0.00 34.50 29.34 2kmi s PRO 33 CO 0.21 -3.76 0.81 -1.21 0.04 0.00 0.00 177.00 173.09 2kmi s GLU 34 N 6.69 2.52 0.27 4.56 0.41 -1.26 -5.12 118.70 126.77 2kmi s GLU 34 Ca 0.69 -0.66 -0.07 0.00 -0.41 0.00 0.00 54.97 54.53 2kmi s GLU 34 Cb -0.03 -2.43 0.03 0.00 -1.78 0.00 0.00 34.13 29.91 2kmi s GLU 34 CO 0.08 -0.78 0.47 1.58 -0.49 0.00 0.00 175.26 176.12 2kmi n HIS 35 N -2.43 -1.62 -0.77 1.61 -0.00 -1.26 -5.16 115.22 105.58 2kmi n HIS 35 Ca 0.07 -1.48 -0.33 0.00 0.46 0.00 0.00 57.72 56.45 2kmi n HIS 35 Cb 0.60 0.54 0.13 0.00 -0.12 0.00 0.00 29.99 31.14 2kmi n HIS 35 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2kmi n LYS 36 N -0.39 -0.47 -4.45 1.57 2.85 -1.26 -4.90 118.16 111.10 2kmi n LYS 36 Ca -0.03 -0.10 -0.24 0.00 -1.05 0.00 0.00 58.31 56.89 2kmi n LYS 36 Cb 0.42 -1.88 -0.10 0.00 -0.65 0.00 0.00 35.03 32.83 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 -3.69 1.78 0.22 -1.58 3.00 -1.26 -5.06 118.95 112.35 2kmi s ARG 37 Ca 0.57 -1.74 -0.30 0.00 0.00 0.00 0.00 55.73 54.27 2kmi s ARG 37 Cb -0.20 -1.82 -0.09 0.00 0.00 0.00 0.00 34.95 32.84 2kmi s ARG 37 CO 0.67 0.31 1.29 -1.25 0.00 0.00 0.00 175.30 176.32 2kmi s PRO 38 N -3.55 4.41 -0.43 3.54 0.04 -1.26 -4.81 135.00 132.94 2kmi s PRO 38 Ca 0.31 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 63.21 2kmi s PRO 38 Cb -0.04 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.34 2kmi s PRO 38 CO 0.16 -0.21 0.51 -1.54 0.04 0.00 0.00 177.00 175.96 2kmi s SER 39 N 0.15 6.24 -0.25 6.66 1.04 -1.26 -4.32 113.70 121.96 2kmi s SER 39 Ca 0.55 -0.56 -0.37 0.00 0.48 0.00 0.00 55.95 56.04 2kmi s SER 39 Cb -0.36 -2.26 0.15 0.00 0.10 0.00 0.00 66.02 63.65 2kmi s SER 39 CO 0.40 -0.65 1.33 0.00 0.98 0.00 0.00 173.24 175.30 2kmi s ALA 40 N 2.38 -2.17 -0.12 5.32 0.00 -1.26 -5.01 121.76 120.89 2kmi s ALA 40 Ca 0.16 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.61 2kmi s ALA 40 Cb -0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2kmi s ALA 40 CO 0.15 -0.58 1.54 -1.25 0.00 0.00 0.00 175.76 175.62 2kmi s PRO 41 N -2.15 4.12 -0.08 0.00 0.04 -1.26 -3.70 135.00 131.96 2kmi s PRO 41 Ca 0.11 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2kmi s PRO 41 Cb -0.01 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 30.61 2kmi s PRO 41 CO -0.03 -0.90 -0.15 -1.50 0.04 0.00 0.00 177.00 174.47 2kmi s ILE 42 N 4.12 1.37 0.14 0.56 1.10 -1.25 -5.07 121.20 122.17 2kmi s ILE 42 Ca 0.68 -0.60 -0.07 0.00 -0.51 0.00 0.00 60.65 60.15 2kmi s ILE 42 Cb -0.28 -1.24 -0.02 0.00 0.15 0.00 0.00 42.46 41.07 2kmi s ILE 42 CO 0.25 0.41 0.20 1.51 -2.11 0.00 0.00 174.94 175.21 2kmi s ASP 43 N 0.75 0.14 0.17 4.50 1.47 -1.26 -3.95 116.67 118.48 2kmi s ASP 43 Ca -0.12 -0.93 -0.07 0.00 1.18 0.00 0.00 52.55 52.61 2kmi s ASP 43 Cb -0.16 0.38 0.04 0.00 -0.34 0.00 0.00 42.92 42.84 2kmi s ASP 43 CO 0.03 -0.82 1.49 0.15 0.68 0.00 0.00 175.17 176.70 2kmi h PHE 44 N 2.68 0.92 0.00 2.11 3.57 -1.69 -3.43 116.94 121.11 2kmi h PHE 44 Ca -0.33 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 60.87 2kmi h PHE 44 Cb 1.21 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2kmi h PHE 44 CO 0.42 1.08 -0.23 0.43 -2.23 0.00 0.00 178.31 177.77 2kmi n SER 45 N -4.01 0.01 -3.64 0.41 7.64 -1.26 -5.12 113.62 107.64 2kmi n SER 45 Ca -0.03 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.81 2kmi n SER 45 Cb 0.58 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.71 2kmi n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kmi s LYS 46 N -1.99 0.28 0.90 1.43 2.20 -1.26 -5.18 119.74 116.12 2kmi s LYS 46 Ca 0.00 0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 55.86 2kmi s LYS 46 Cb 0.00 0.11 0.16 0.00 -1.51 0.00 0.00 37.83 36.60 2kmi s LYS 46 CO 0.00 -0.04 1.25 -0.48 -0.36 0.00 0.00 175.35 175.71 2kmi s LEU 47 N 0.52 2.72 -0.78 5.43 2.34 -1.26 -5.01 118.68 122.64 2kmi s LEU 47 Ca 0.00 0.29 0.02 0.00 0.06 0.00 0.00 54.13 54.51 2kmi s LEU 47 Cb -0.04 -2.47 0.25 0.00 -0.56 0.00 0.00 46.19 43.37 2kmi s LEU 47 CO -0.11 -2.44 0.89 0.47 -1.06 0.00 0.00 176.35 174.09 2kmi n ASP 48 N -3.54 4.35 -2.88 1.48 8.00 -1.26 -5.07 116.55 117.62 2kmi n ASP 48 Ca 0.14 -3.37 -0.11 0.00 0.71 0.00 0.00 54.79 52.16 2kmi n ASP 48 Cb 0.60 -0.87 0.09 0.00 -0.02 0.00 0.00 41.12 40.92 2kmi n ASP 48 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kmi n PRO 49 N 1.29 -1.78 -1.41 -0.24 -0.04 -1.26 -4.25 135.00 127.31 2kmi n PRO 49 Ca 0.27 -0.62 -0.14 0.00 -0.04 0.00 0.00 63.50 62.97 2kmi n PRO 49 Cb 0.38 -0.58 -0.06 0.00 -0.04 0.00 0.00 33.50 33.20 2kmi n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kmi n GLY 50 N -0.13 1.46 3.76 0.55 0.00 -1.26 -4.98 105.19 104.59 2kmi n GLY 50 Ca 0.05 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.17 2.09 0.88 1.61 1.02 -1.26 -5.02 119.74 115.88 2kmi s LYS 51 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 55.97 57.01 2kmi s LYS 51 Cb 0.00 -1.88 0.12 0.00 -0.52 0.00 0.00 37.83 35.55 2kmi s LYS 51 CO 0.00 -1.75 1.09 -1.25 -0.92 0.00 0.00 175.35 172.52 2kmi s PRO 52 N -4.90 1.41 0.30 -1.68 0.04 -1.26 -4.96 135.00 123.95 2kmi s PRO 52 Ca 0.62 0.87 0.16 0.00 0.04 0.00 0.00 61.00 62.68 2kmi s PRO 52 Cb -0.17 -1.82 0.33 0.00 0.04 0.00 0.00 34.50 32.87 2kmi s PRO 52 CO 0.56 -2.15 1.56 1.05 0.04 0.00 0.00 177.00 178.07 2kmi h GLU 53 N -1.48 0.00 0.71 4.56 4.11 -1.99 -3.20 114.58 117.29 2kmi h GLU 53 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2kmi h GLU 53 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2kmi h GLU 53 CO 0.54 0.51 -0.43 0.77 0.07 0.00 0.00 179.01 180.47 2kmi h SER 54 N 0.00 -1.08 -0.13 3.06 0.02 -1.98 0.22 113.55 113.67 2kmi h SER 54 Ca -0.01 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2kmi h SER 54 Cb 1.20 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 64.02 2kmi h SER 54 CO 0.07 -0.67 -0.08 0.40 -1.14 0.00 0.00 176.83 175.41 2kmi h ILE 55 N -1.07 0.76 -0.49 3.27 1.08 -1.97 0.25 117.51 119.33 2kmi h ILE 55 Ca -0.09 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2kmi h ILE 55 Cb 0.86 0.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 2kmi h ILE 55 CO 0.10 0.00 0.20 0.25 -0.69 0.00 0.00 178.15 178.01 2kmi h LEU 56 N -0.08 0.23 -1.36 1.44 7.12 -1.53 -0.68 115.31 120.44 2kmi h LEU 56 Ca 0.08 0.05 -0.05 0.00 0.13 0.00 0.00 57.88 58.08 2kmi h LEU 56 Cb 0.19 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 2kmi h LEU 56 CO -0.17 0.16 -0.26 0.50 -0.13 0.00 0.00 178.44 178.53 2kmi h LYS 57 N 0.39 0.00 -0.12 1.25 3.64 -0.11 -3.17 116.57 118.44 2kmi h LYS 57 Ca 0.23 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2kmi h LYS 57 Cb 0.22 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2kmi h LYS 57 CO -0.22 0.26 -0.30 1.98 -2.27 0.00 0.00 179.45 178.91 2kmi h MET 58 N 0.00 -0.36 -1.35 1.90 4.05 0.11 -3.45 114.93 115.82 2kmi h MET 58 Ca -0.00 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.57 2kmi h MET 58 Cb 0.63 0.08 -0.29 0.00 -0.80 0.00 0.00 31.60 31.23 2kmi h MET 58 CO 0.03 -0.24 0.67 0.95 0.23 0.00 0.00 176.91 178.55 2kmi s THR 59 N -6.02 0.00 -0.12 -0.77 -4.23 -1.20 -5.11 115.64 98.19 2kmi s THR 59 Ca -0.15 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.35 2kmi s THR 59 Cb 0.10 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.98 2kmi s THR 59 CO 0.66 0.00 -0.02 -0.54 -0.54 0.00 0.00 174.62 174.18 2kmi s LYS 60 N -0.11 1.03 -0.41 3.99 1.02 -1.26 -4.80 119.74 119.19 2kmi s LYS 60 Ca 0.05 -0.20 0.04 0.00 0.02 0.00 0.00 55.97 55.87 2kmi s LYS 60 Cb -0.04 -1.53 0.17 0.00 -0.52 0.00 0.00 37.83 35.91 2kmi s LYS 60 CO -0.09 -0.37 0.37 0.21 -0.92 0.00 0.00 175.35 174.55 2kmi s LYS 61 N 1.82 0.84 -0.25 1.68 2.20 -1.26 -5.11 119.74 119.65 2kmi s LYS 61 Ca 0.03 -1.74 -0.13 0.00 -0.36 0.00 0.00 55.97 53.77 2kmi s LYS 61 Cb -0.14 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 34.98 2kmi s LYS 61 CO -0.07 -1.34 0.29 0.20 -0.36 0.00 0.00 175.35 174.08 2kmi s GLY 62 N 0.45 1.96 0.09 5.54 0.00 -1.26 -4.33 107.32 109.77 2kmi s GLY 62 Ca 0.29 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 44.05 2kmi s GLY 62 CO -0.13 0.74 0.29 0.54 0.00 0.00 0.00 173.10 174.55 2kmi s LYS 63 N 1.62 0.91 -0.01 2.90 1.02 -1.26 -3.70 119.74 121.21 2kmi s LYS 63 Ca 0.12 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.18 2kmi s LYS 63 Cb -0.15 0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 2kmi s LYS 63 CO 0.08 -0.31 0.55 0.99 -0.92 0.00 0.00 175.35 175.74 2kmi s THR 64 N -3.46 4.94 -0.19 2.17 2.01 -0.90 -4.49 115.64 115.71 2kmi s THR 64 Ca 0.01 1.14 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 2kmi s THR 64 Cb 0.02 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2kmi s THR 64 CO -0.09 0.44 -0.11 -1.48 -0.69 0.00 0.00 174.62 172.69 2kmi s LEU 65 N -0.31 2.61 -0.30 4.42 2.34 -1.26 -3.96 118.68 122.21 2kmi s LEU 65 Ca 0.29 -0.47 -0.09 0.00 0.06 0.00 0.00 54.13 53.92 2kmi s LEU 65 Cb -0.18 -1.63 0.17 0.00 -0.56 0.00 0.00 46.19 43.99 2kmi s LEU 65 CO 0.16 0.01 0.80 0.00 -1.06 0.00 0.00 176.35 176.26 2kmi s MET 66 N 1.26 0.43 -0.21 1.48 0.23 -1.19 -3.51 119.30 117.79 2kmi s MET 66 Ca 0.03 0.91 -0.16 0.00 -1.03 0.00 0.00 55.69 55.44 2kmi s MET 66 Cb -0.14 0.53 0.06 0.00 -1.53 0.00 0.00 34.83 33.75 2kmi s MET 66 CO -0.05 -0.31 0.54 1.41 -2.03 0.00 0.00 175.02 174.58 2kmi s MET 67 N 2.79 0.59 -0.08 3.16 0.00 -1.18 -1.41 119.30 123.17 2kmi s MET 67 Ca 0.05 0.86 -0.01 0.00 0.00 0.00 0.00 55.69 56.59 2kmi s MET 67 Cb -0.11 0.19 0.03 0.00 0.00 0.00 0.00 34.83 34.93 2kmi s MET 67 CO -0.18 -0.11 -0.01 -0.06 0.00 0.00 0.00 175.02 174.66 2kmi s PHE 68 N 0.86 0.85 0.00 4.11 0.08 -0.79 -3.04 117.98 120.05 2kmi s PHE 68 Ca -0.05 -0.30 -0.09 0.00 0.12 0.00 0.00 56.93 56.61 2kmi s PHE 68 Cb -0.05 -0.90 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 2kmi s PHE 68 CO -0.07 -0.37 0.17 0.08 -0.10 0.00 0.00 175.22 174.93 2kmi s VAL 69 N 1.91 0.08 -0.43 -0.44 1.01 -1.00 -0.79 120.40 120.75 2kmi s VAL 69 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2kmi s VAL 69 Cb -0.12 -0.49 0.23 0.00 0.00 0.00 0.00 36.38 35.99 2kmi s VAL 69 CO -0.06 -0.37 0.97 1.07 0.00 0.00 0.00 175.10 176.71 2kmi n THR 70 N 1.37 0.00 -3.87 3.92 5.66 0.42 -1.02 114.28 120.75 2kmi n THR 70 Ca -0.22 -0.91 -0.11 0.00 -3.05 0.00 0.00 64.05 59.76 2kmi n THR 70 Cb 0.56 1.09 -0.01 0.00 -1.55 0.00 0.00 70.33 70.42 2kmi n THR 70 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2kmi n VAL 71 N 2.16 0.00 -3.77 1.08 0.24 -1.18 -2.56 118.33 114.29 2kmi n VAL 71 Ca 0.10 -1.28 -0.36 0.00 -2.04 0.00 0.00 64.34 60.76 2kmi n VAL 71 Cb 0.63 0.91 -0.13 0.00 -1.47 0.00 0.00 33.84 33.79 2kmi n VAL 71 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2kmi s SER 72 N -2.85 5.03 0.00 -1.34 1.04 -1.26 -2.26 113.70 112.06 2kmi s SER 72 Ca 0.21 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.40 2kmi s SER 72 Cb -0.02 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2kmi s SER 72 CO 0.15 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2kmi n GLY 73 N 4.91 0.19 2.29 7.32 0.00 -1.25 -3.22 105.19 115.42 2kmi n GLY 73 Ca -0.16 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.19 -4.57 1.61 5.15 -1.09 -4.44 115.26 111.73 2kmi n ASN 74 Ca 0.00 -2.56 -0.27 0.00 -0.60 0.00 0.00 54.58 51.14 2kmi n ASN 74 Cb 0.00 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 38.64 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 -0.60 2.53 -0.39 1.20 0.04 -1.26 -3.10 135.00 133.42 2kmi s PRO 75 Ca 0.34 -0.77 0.10 0.00 0.04 0.00 0.00 61.00 60.71 2kmi s PRO 75 Cb 0.11 -5.16 0.39 0.00 0.04 0.00 0.00 34.50 29.89 2kmi s PRO 75 CO -0.15 -3.70 1.38 2.41 0.04 0.00 0.00 177.00 176.98 2kmi n THR 76 N 7.83 0.02 -0.23 1.26 -1.04 -1.26 -4.99 114.28 115.87 2kmi n THR 76 Ca 0.43 -1.46 0.03 0.00 -2.04 0.00 0.00 64.05 61.00 2kmi n THR 76 Cb 0.47 1.00 0.15 0.00 -1.82 0.00 0.00 70.33 70.12 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kmi h GLU 77 N 1.89 0.36 0.19 -2.82 4.11 -1.84 -1.80 114.58 114.67 2kmi h GLU 77 Ca -0.30 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.12 2kmi h GLU 77 Cb 1.30 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2kmi h GLU 77 CO -0.08 0.24 -0.53 0.87 0.07 0.00 0.00 179.01 179.58 2kmi h LYS 78 N 0.37 -0.77 -0.82 1.06 1.79 -1.98 -0.77 116.57 115.44 2kmi h LYS 78 Ca 0.36 0.05 0.20 0.00 -2.18 0.00 0.00 60.65 59.08 2kmi h LYS 78 Cb 0.53 0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 31.31 2kmi h LYS 78 CO -0.39 -0.52 0.56 1.49 -1.08 0.00 0.00 179.45 179.51 2kmi h GLU 79 N -0.80 0.27 -0.09 3.15 4.57 -1.86 -1.33 114.58 118.49 2kmi h GLU 79 Ca -0.02 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.17 2kmi h GLU 79 Cb 0.78 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 2kmi h GLU 79 CO -0.25 0.18 -0.07 1.15 -1.18 0.00 0.00 179.01 178.84 2kmi h THR 80 N 0.27 0.79 -0.80 0.32 2.02 -0.30 -1.77 112.91 113.45 2kmi h THR 80 Ca 0.41 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.74 2kmi h THR 80 Cb 1.18 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.33 2kmi h THR 80 CO -0.11 0.00 0.53 -0.08 0.37 0.00 0.00 175.52 176.23 2kmi h GLU 81 N -0.08 0.49 0.00 6.66 4.81 -0.85 0.24 114.58 125.85 2kmi h GLU 81 Ca 0.06 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2kmi h GLU 81 Cb 0.17 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 2kmi h GLU 81 CO -0.14 0.32 -0.10 1.49 -0.73 0.00 0.00 179.01 179.85 2kmi h GLU 82 N 0.50 0.00 -0.58 1.92 4.81 -1.26 -2.60 114.58 117.37 2kmi h GLU 82 Ca 0.39 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2kmi h GLU 82 Cb 0.81 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 2kmi h GLU 82 CO -0.15 0.10 0.37 0.82 -0.73 0.00 0.00 179.01 179.42 2kmi h ILE 83 N 0.00 1.11 -0.91 2.32 2.04 -0.36 -2.02 117.51 119.69 2kmi h ILE 83 Ca -0.00 -0.26 0.21 0.00 1.00 0.00 0.00 64.86 65.81 2kmi h ILE 83 Cb 0.24 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 2kmi h ILE 83 CO 0.01 0.14 0.60 0.74 0.00 0.00 0.00 178.15 179.64 2kmi h THR 84 N 0.74 0.66 0.64 -0.27 2.02 -1.54 -1.87 112.91 113.30 2kmi h THR 84 Ca 0.22 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 2kmi h THR 84 Cb -0.04 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2kmi h THR 84 CO -0.07 0.07 -0.31 -1.28 0.37 0.00 0.00 175.52 174.31 2kmi h SER 85 N 0.40 -0.73 -0.81 4.18 0.87 -1.48 -2.68 113.55 113.30 2kmi h SER 85 Ca 0.48 -0.01 0.23 0.00 -1.23 0.00 0.00 61.79 61.26 2kmi h SER 85 Cb 1.21 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.33 2kmi h SER 85 CO -0.18 -0.44 0.58 -0.07 -0.53 0.00 0.00 176.83 176.19 2kmi h LEU 86 N -0.98 0.00 -0.86 2.23 3.38 -1.32 -0.15 115.31 117.60 2kmi h LEU 86 Ca -0.09 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.04 2kmi h LEU 86 Cb 0.69 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 2kmi h LEU 86 CO 0.14 0.00 0.44 -0.25 0.09 0.00 0.00 178.44 178.87 2kmi h TRP 87 N 0.00 0.77 -0.83 1.13 2.91 -1.08 0.91 115.95 119.76 2kmi h TRP 87 Ca 0.38 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.57 2kmi h TRP 87 Cb 1.55 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 29.92 2kmi h TRP 87 CO 0.00 0.17 0.54 0.37 -1.03 0.00 0.00 178.44 178.49 2kmi h GLN 88 N 0.62 0.63 -0.55 2.65 4.15 -1.09 -1.60 115.11 119.92 2kmi h GLN 88 Ca 0.47 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.85 2kmi h GLN 88 Cb 0.69 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2kmi h GLN 88 CO -0.37 0.42 0.32 0.78 -1.93 0.00 0.00 178.83 178.05 2kmi h GLY 89 N 0.65 0.81 1.27 2.39 0.00 -0.94 -2.25 103.07 105.01 2kmi h GLY 89 Ca 0.41 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.47 2kmi h GLY 89 CO -0.17 0.34 0.29 0.23 0.00 0.00 0.00 176.54 177.23 2kmi h SER 90 N 0.75 0.15 -0.40 0.19 0.87 -1.23 -2.17 113.55 111.71 2kmi h SER 90 Ca 0.20 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.84 2kmi h SER 90 Cb 0.01 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.86 2kmi h SER 90 CO -0.04 0.09 -0.11 0.25 -0.53 0.00 0.00 176.83 176.50 2kmi h LEU 91 N 0.17 -0.40 -1.35 2.23 6.46 -1.32 0.50 115.31 121.60 2kmi h LEU 91 Ca 0.19 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 58.04 2kmi h LEU 91 Cb 0.55 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 2kmi h LEU 91 CO -0.03 -0.14 0.06 0.15 -0.62 0.00 0.00 178.44 177.86 2kmi h PHE 92 N -0.01 0.50 0.73 1.25 3.57 -1.48 -3.15 116.94 118.35 2kmi h PHE 92 Ca 0.19 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2kmi h PHE 92 Cb 0.31 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.90 2kmi h PHE 92 CO -0.36 0.45 -0.35 -0.97 -2.23 0.00 0.00 178.31 174.85 2kmi h ASN 93 N 0.48 -0.83 0.00 0.41 -0.73 -0.97 -3.45 115.58 110.49 2kmi h ASN 93 Ca 0.11 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.31 2kmi h ASN 93 Cb 0.22 0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2kmi h ASN 93 CO -0.00 -0.46 0.00 0.00 -0.37 0.00 0.00 177.43 176.60 2kmi n ALA 94 N -2.71 2.25 -2.65 1.57 0.00 -0.02 -1.82 120.51 117.13 2kmi n ALA 94 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.29 2kmi n ALA 94 Cb 0.39 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.63 -1.04 -2.63 0.00 0.23 -1.22 -4.86 115.26 104.12 2kmi n ASN 95 Ca 0.00 -1.56 -0.05 0.00 -0.53 0.00 0.00 54.58 52.44 2kmi n ASN 95 Cb 0.00 0.99 -0.04 0.00 -2.08 0.00 0.00 39.78 38.65 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 0.56 -4.43 -3.46 -2.53 4.01 -1.25 -4.92 117.16 105.14 2kmi n TYR 96 Ca -0.07 2.50 -0.33 0.00 -0.16 0.00 0.00 57.90 59.84 2kmi n TYR 96 Cb 0.77 -3.93 -0.06 0.00 -0.31 0.00 0.00 39.34 35.80 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 1.59 4.30 -4.13 7.72 8.00 -1.25 -5.03 116.55 127.75 2kmi n ASP 97 Ca -0.37 -3.33 -0.20 0.00 0.71 0.00 0.00 54.79 51.60 2kmi n ASP 97 Cb 0.57 -0.89 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 2kmi n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kmi s VAL 98 N -2.13 1.05 0.03 2.53 1.01 -1.26 -1.64 120.40 119.99 2kmi s VAL 98 Ca 0.33 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.43 2kmi s VAL 98 Cb 0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2kmi s VAL 98 CO -0.04 0.03 -0.13 -1.10 0.00 0.00 0.00 175.10 173.86 2kmi s GLN 99 N -1.02 0.89 0.02 2.72 1.11 0.59 -4.99 119.66 118.98 2kmi s GLN 99 Ca 0.02 -0.69 0.03 0.00 0.01 0.00 0.00 55.36 54.72 2kmi s GLN 99 Cb -0.07 -0.87 -0.02 0.00 -1.01 0.00 0.00 33.01 31.04 2kmi s GLN 99 CO 0.01 0.22 -0.08 0.50 0.01 0.00 0.00 175.29 175.94 2kmi s ARG 100 N -1.01 0.58 -0.07 2.91 3.52 -1.02 -2.42 118.95 121.44 2kmi s ARG 100 Ca 0.01 -0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 54.95 2kmi s ARG 100 Cb -0.07 -0.49 0.03 0.00 -1.56 0.00 0.00 34.95 32.86 2kmi s ARG 100 CO 0.01 0.12 0.33 0.12 -0.81 0.00 0.00 175.30 175.06 2kmi s PHE 101 N -0.76 -0.28 -0.06 5.12 5.36 -1.18 -4.35 117.98 121.83 2kmi s PHE 101 Ca -0.03 0.59 -0.00 0.00 -0.96 0.00 0.00 56.93 56.53 2kmi s PHE 101 Cb -0.06 0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.75 2kmi s PHE 101 CO 0.00 -0.29 -0.02 0.42 -1.46 0.00 0.00 175.22 173.88 2kmi s ILE 102 N -0.58 0.47 -0.16 3.12 1.01 -1.26 -2.65 121.20 121.16 2kmi s ILE 102 Ca -0.07 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2kmi s ILE 102 Cb -0.04 -0.56 0.06 0.00 0.01 0.00 0.00 42.46 41.93 2kmi s ILE 102 CO 0.02 0.25 0.36 0.54 0.00 0.00 0.00 174.94 176.11 2kmi s VAL 103 N 1.50 -0.16 0.00 2.92 0.11 -1.18 -5.06 120.40 118.53 2kmi s VAL 103 Ca -0.02 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.17 2kmi s VAL 103 Cb -0.13 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2kmi s VAL 103 CO -0.03 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2kmi n GLY 104 N 4.53 1.53 1.09 6.54 0.00 -1.26 -3.11 105.19 114.51 2kmi n GLY 104 Ca -0.20 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 2.57 3.28 -4.24 1.61 7.64 -1.26 -4.91 113.62 118.30 2kmi n SER 105 Ca 0.00 -1.98 -0.25 0.00 1.01 0.00 0.00 58.87 57.65 2kmi n SER 105 Cb 0.00 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 62.86 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 -1.58 2.44 0.10 6.43 1.47 -1.18 -4.37 116.67 119.98 2kmi s ASP 106 Ca 0.37 -0.51 0.08 0.00 1.18 0.00 0.00 52.55 53.67 2kmi s ASP 106 Cb 0.22 -0.20 -0.04 0.00 -0.34 0.00 0.00 42.92 42.56 2kmi s ASP 106 CO 0.31 0.16 -0.21 -0.13 0.68 0.00 0.00 175.17 175.98 2kmi s ARG 107 N -1.14 1.13 0.06 2.11 3.00 -0.96 -3.11 118.95 120.04 2kmi s ARG 107 Ca 0.07 -1.17 0.09 0.00 0.00 0.00 0.00 55.73 54.72 2kmi s ARG 107 Cb -0.09 -1.40 -0.03 0.00 0.00 0.00 0.00 34.95 33.43 2kmi s ARG 107 CO 0.02 0.32 -0.26 0.00 0.00 0.00 0.00 175.30 175.38 2kmi s ALA 108 N -1.18 2.28 0.02 2.13 0.00 -1.08 -3.13 121.76 120.79 2kmi s ALA 108 Ca 0.07 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.78 2kmi s ALA 108 Cb -0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2kmi s ALA 108 CO 0.04 0.54 -0.14 -1.50 0.00 0.00 0.00 175.76 174.70 2kmi s ILE 109 N -0.84 1.10 -0.16 0.00 1.10 -0.19 -3.11 121.20 119.09 2kmi s ILE 109 Ca 0.12 -0.85 -0.06 0.00 -0.51 0.00 0.00 60.65 59.36 2kmi s ILE 109 Cb -0.10 -0.97 0.08 0.00 0.15 0.00 0.00 42.46 41.62 2kmi s ILE 109 CO 0.03 0.12 0.34 0.12 -2.11 0.00 0.00 174.94 173.43 2kmi s PHE 110 N -0.65 -0.61 -0.02 3.50 2.19 -1.01 -2.37 117.98 119.00 2kmi s PHE 110 Ca 0.03 1.25 0.00 0.00 0.33 0.00 0.00 56.93 58.55 2kmi s PHE 110 Cb -0.07 0.14 0.02 0.00 -1.31 0.00 0.00 43.02 41.80 2kmi s PHE 110 CO 0.01 -0.42 0.01 0.00 1.83 0.00 0.00 175.22 176.65 2kmi s MET 111 N 2.52 0.10 -0.10 10.12 0.23 -1.17 -0.30 119.30 130.70 2kmi s MET 111 Ca -0.00 0.10 -0.14 0.00 -1.03 0.00 0.00 55.69 54.62 2kmi s MET 111 Cb -0.12 -0.28 0.03 0.00 -1.53 0.00 0.00 34.83 32.93 2kmi s MET 111 CO -0.11 -0.11 0.35 -1.17 -2.03 0.00 0.00 175.02 171.95 2kmi s LEU 112 N 0.79 0.66 0.26 0.18 1.98 -0.65 -3.12 118.68 118.77 2kmi s LEU 112 Ca -0.07 0.55 -0.05 0.00 -2.89 0.00 0.00 54.13 51.67 2kmi s LEU 112 Cb -0.10 1.27 0.32 0.00 0.66 0.00 0.00 46.19 48.33 2kmi s LEU 112 CO -0.02 -0.23 1.91 0.08 -1.89 0.00 0.00 176.35 176.21 2kmi h ARG 113 N 5.04 1.25 0.00 1.98 0.11 -1.81 -3.23 114.38 117.72 2kmi h ARG 113 Ca -0.27 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 59.73 2kmi h ARG 113 Cb 1.18 -0.28 -0.00 0.00 1.11 0.00 0.00 29.97 31.98 2kmi h ARG 113 CO 0.31 0.82 -0.06 -0.44 0.10 0.00 0.00 179.97 180.71 2kmi h ASP 114 N 1.28 0.00 0.00 0.08 3.32 -1.92 -3.37 116.42 115.81 2kmi h ASP 114 Ca 0.39 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2kmi h ASP 114 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2kmi h ASP 114 CO -0.12 0.59 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 2kmi n GLY 115 N 1.74 2.05 0.28 2.75 0.00 -1.22 -4.65 105.19 106.14 2kmi n GLY 115 Ca -0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 2kmi n GLY 115 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kmi h SER 116 N 0.00 -0.77 -0.97 1.61 0.87 -1.94 0.24 113.55 112.59 2kmi h SER 116 Ca 0.00 0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 2kmi h SER 116 Cb 0.00 0.35 -0.08 0.00 -0.44 0.00 0.00 62.40 62.24 2kmi h SER 116 CO 0.00 -0.29 0.61 0.22 -0.53 0.00 0.00 176.83 176.84 2kmi h TYR 117 N -0.28 1.11 -0.00 2.24 3.20 -2.01 -0.26 116.97 120.97 2kmi h TYR 117 Ca 0.12 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 2kmi h TYR 117 Cb 0.46 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 2kmi h TYR 117 CO -0.37 0.48 -0.50 0.00 -1.64 0.00 0.00 178.16 176.13 2kmi h ALA 118 N 1.50 1.17 -0.81 1.82 0.00 -1.58 -2.95 119.26 118.41 2kmi h ALA 118 Ca 0.46 -0.46 0.23 0.00 0.00 0.00 0.00 54.91 55.15 2kmi h ALA 118 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2kmi h ALA 118 CO -0.24 0.63 0.58 2.35 0.00 0.00 0.00 179.25 182.57 2kmi h TRP 119 N 0.00 0.01 0.95 0.00 2.91 0.13 0.26 115.95 120.20 2kmi h TRP 119 Ca -0.00 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 29.54 2kmi h TRP 119 CO 0.00 0.00 -0.46 1.49 -1.03 0.00 0.00 178.44 178.45 2kmi h GLU 120 N 0.01 -1.23 -0.00 2.65 4.81 -1.55 -3.00 114.58 116.27 2kmi h GLU 120 Ca 0.39 0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.59 2kmi h GLU 120 Cb 1.54 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 2kmi h GLU 120 CO -0.01 -0.82 -0.50 0.82 -0.73 0.00 0.00 179.01 177.77 2kmi h ILE 121 N -1.34 1.36 -0.88 2.32 5.03 -1.54 -2.98 117.51 119.48 2kmi h ILE 121 Ca -0.13 -1.72 0.21 0.00 -0.12 0.00 0.00 64.86 63.11 2kmi h ILE 121 Cb 0.98 1.92 -0.06 0.00 -3.03 0.00 0.00 36.82 36.63 2kmi h ILE 121 CO 0.21 0.49 0.59 0.50 -0.68 0.00 0.00 178.15 179.27 2kmi h LYS 122 N 0.00 0.28 0.21 2.37 3.11 -0.44 -0.35 116.57 121.75 2kmi h LYS 122 Ca -0.00 -0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2kmi h LYS 122 Cb 0.89 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 32.01 2kmi h LYS 122 CO 0.07 0.18 -0.53 -0.44 -2.81 0.00 0.00 179.45 175.92 2kmi h ASP 123 N 0.29 -1.56 -0.02 4.20 3.32 -1.38 -0.42 116.42 120.85 2kmi h ASP 123 Ca 0.45 0.16 -0.14 0.00 0.02 0.00 0.00 57.03 57.51 2kmi h ASP 123 Cb 1.29 0.56 -0.01 0.00 0.22 0.00 0.00 39.33 41.39 2kmi h ASP 123 CO -0.13 -0.59 -0.44 -0.26 -1.72 0.00 0.00 179.24 176.10 2kmi h PHE 124 N -0.82 0.67 0.20 4.55 -1.00 -1.58 -2.06 116.94 116.90 2kmi h PHE 124 Ca -0.02 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.56 2kmi h PHE 124 Cb 0.79 -0.14 -0.04 0.00 3.61 0.00 0.00 35.95 40.17 2kmi h PHE 124 CO -0.41 0.90 -0.53 1.25 -1.61 0.00 0.00 178.31 177.91 2kmi h LEU 125 N 0.45 -1.56 -1.23 1.54 7.12 -0.68 -1.04 115.31 119.91 2kmi h LEU 125 Ca 0.03 0.16 -0.08 0.00 0.13 0.00 0.00 57.88 58.12 2kmi h LEU 125 Cb 0.96 0.56 -0.01 0.00 -0.53 0.00 0.00 40.66 41.64 2kmi h LEU 125 CO 0.09 -0.59 -0.38 1.62 -0.13 0.00 0.00 178.44 179.05 2kmi h VAL 126 N -0.81 1.27 0.00 1.05 3.04 -1.14 -2.65 116.25 117.01 2kmi h VAL 126 Ca -0.02 -1.31 -0.01 0.00 -1.01 0.00 0.00 66.70 64.35 2kmi h VAL 126 Cb 0.79 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2kmi h VAL 126 CO -0.24 0.38 -0.03 -1.28 -1.01 0.00 0.00 177.57 175.38 2kmi h SER 127 N 0.00 0.00 -0.92 3.17 0.87 -0.60 -1.97 113.55 114.10 2kmi h SER 127 Ca -0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2kmi h SER 127 Cb 0.68 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 2kmi h SER 127 CO 0.05 0.03 0.60 -0.61 -0.53 0.00 0.00 176.83 176.37 2kmi h GLN 128 N 0.00 1.07 -1.80 2.24 4.15 -0.84 -3.46 115.11 116.47 2kmi h GLN 128 Ca -0.00 -0.06 -0.35 0.00 0.77 0.00 0.00 58.65 59.00 2kmi h GLN 128 Cb 0.06 -0.24 -0.07 0.00 0.21 0.00 0.00 27.48 27.44 2kmi h GLN 128 CO 0.00 0.71 -0.40 -3.47 -1.93 0.00 0.00 178.83 173.74 2kmi n ASP 129 N -4.47 -5.13 -2.76 -0.69 2.03 -0.74 -4.89 116.55 99.90 2kmi n ASP 129 Ca 0.13 0.17 -0.00 0.00 0.52 0.00 0.00 54.79 55.61 2kmi n ASP 129 Cb 0.15 -4.20 0.02 0.00 -0.72 0.00 0.00 41.12 36.37 2kmi n ASP 129 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 2kmi s ARG 130 N -4.29 0.27 -0.08 -0.67 3.52 -1.06 -4.78 118.95 111.86 2kmi s ARG 130 Ca 0.00 -0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 55.28 2kmi s ARG 130 Cb 0.00 0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.43 2kmi s ARG 130 CO 0.00 -0.36 0.34 0.00 -0.81 0.00 0.00 175.30 174.47 2kmi s ALA 132 N -0.57 0.52 0.03 0.00 0.00 -1.26 -0.44 121.76 120.05 2kmi s ALA 132 Ca -0.07 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.14 2kmi s ALA 132 Cb -0.04 -1.82 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2kmi s ALA 132 CO 0.03 -2.07 -0.14 -1.21 0.00 0.00 0.00 175.76 172.37 2kmi s GLU 133 N 0.63 0.95 -0.05 0.00 2.02 0.03 -3.88 118.70 118.41 2kmi s GLU 133 Ca 0.26 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.48 2kmi s GLU 133 Cb -0.06 -0.96 0.01 0.00 0.10 0.00 0.00 34.13 33.23 2kmi s GLU 133 CO -0.10 0.24 0.14 0.54 0.02 0.00 0.00 175.26 176.10 2kmi s VAL 134 N -0.78 0.01 -0.14 2.63 0.11 -1.23 -1.89 120.40 119.10 2kmi s VAL 134 Ca 0.02 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2kmi s VAL 134 Cb -0.08 -0.22 0.07 0.00 -1.53 0.00 0.00 36.38 34.62 2kmi s VAL 134 CO 0.01 -0.03 0.28 -0.89 -3.33 0.00 0.00 175.10 171.13 2kmi s THR 135 N -0.05 -0.44 -0.17 5.04 2.01 -0.50 -4.36 115.64 117.18 2kmi s THR 135 Ca -0.01 0.27 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 2kmi s THR 135 Cb -0.02 -0.46 0.08 0.00 0.01 0.00 0.00 72.50 72.11 2kmi s THR 135 CO 0.00 0.11 0.36 -1.48 -0.69 0.00 0.00 174.62 172.92 2kmi s LEU 136 N 2.44 -0.51 0.07 4.42 0.05 -1.26 -3.15 118.68 120.74 2kmi s LEU 136 Ca 0.01 0.83 -0.06 0.00 0.05 0.00 0.00 54.13 54.96 2kmi s LEU 136 Cb -0.12 1.10 -0.02 0.00 -2.05 0.00 0.00 46.19 45.10 2kmi s LEU 136 CO -0.09 -0.24 0.11 -0.70 -0.55 0.00 0.00 176.35 174.89 2kmi s GLU 137 N 2.54 0.76 -0.43 1.48 2.56 -1.25 -5.05 118.70 119.30 2kmi s GLU 137 Ca -0.01 -1.05 0.08 0.00 0.00 0.00 0.00 54.97 53.99 2kmi s GLU 137 Cb -0.12 0.30 0.27 0.00 2.00 0.00 0.00 34.13 36.58 2kmi s GLU 137 CO -0.11 -0.21 0.78 0.41 -0.56 0.00 0.00 175.26 175.57 2kmi n GLY 138 N 0.00 1.62 3.41 -1.50 0.00 -1.26 -2.12 105.19 105.34 2kmi n GLY 138 Ca -0.15 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.49 3.57 -1.46 1.61 2.00 -1.26 -4.47 119.66 119.16 2kmi s GLN 139 Ca 0.33 -0.53 -0.01 0.00 -2.00 0.00 0.00 55.36 53.15 2kmi s GLN 139 Cb 0.24 -3.19 0.00 0.00 0.80 0.00 0.00 33.01 30.86 2kmi s GLN 139 CO -0.14 -0.15 0.09 -1.33 -0.50 0.00 0.00 175.29 173.25 2kmi n MET 140 N 4.75 -1.86 -3.29 1.67 2.81 -1.26 -3.39 117.12 116.55 2kmi n MET 140 Ca -0.17 0.83 -0.08 0.00 -1.81 0.00 0.00 57.70 56.48 2kmi n MET 140 Cb 0.51 -5.32 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 -4.07 -2.69 -1.93 2.03 4.02 -1.26 -4.67 117.16 108.59 2kmi n TYR 141 Ca -0.19 1.04 -0.30 0.00 -0.01 0.00 0.00 57.90 58.44 2kmi n TYR 141 Cb 0.65 -3.70 -0.06 0.00 -0.02 0.00 0.00 39.34 36.21 2kmi n TYR 141 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2kmi n PRO 142 N -2.05 1.58 0.00 -0.72 -0.04 -1.22 -4.23 135.00 128.32 2kmi n PRO 142 Ca -0.10 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2kmi n PRO 142 Cb 0.56 -3.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.41 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 5.60 1.23 3.63 0.55 0.00 -1.24 -3.13 105.19 111.83 2kmi n GLY 143 Ca 0.46 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 2kmi n GLY 143 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kmi n LYS 144 N 0.00 1.62 0.00 1.61 4.81 -1.26 -3.87 118.16 121.07 2kmi n LYS 144 Ca 0.00 0.57 0.13 0.00 -0.87 0.00 0.00 58.31 58.15 2kmi n LYS 144 Cb 0.00 -2.07 0.80 0.00 0.02 0.00 0.00 35.03 33.78 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98