#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 0.16 5.56 4.76 -1.26 -4.95 118.16 122.43 2kmi n LYS 2 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2kmi n LYS 2 Cb 0.00 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.46 2kmi n LYS 2 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2kmi h LYS 3 N 0.00 0.00 -2.18 1.97 1.79 -2.01 -3.24 116.57 112.91 2kmi h LYS 3 Ca 0.00 0.00 -0.77 0.00 -2.18 0.00 0.00 60.65 57.70 2kmi h LYS 3 Cb 0.00 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.40 2kmi h LYS 3 CO 0.00 0.49 1.12 1.63 -1.08 0.00 0.00 179.45 181.62 2kmi n LYS 4 N -3.82 4.25 -1.42 3.15 4.01 -1.26 -1.71 118.16 121.37 2kmi n LYS 4 Ca -0.01 -4.03 -0.25 0.00 -0.51 0.00 0.00 58.31 53.51 2kmi n LYS 4 Cb 0.53 -2.39 -0.08 0.00 -0.51 0.00 0.00 35.03 32.58 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2kmi n ASP 5 N -0.04 6.29 -4.64 4.39 -0.08 -1.22 -4.91 116.55 116.34 2kmi n ASP 5 Ca 0.51 -3.08 -0.31 0.00 -1.51 0.00 0.00 54.79 50.40 2kmi n ASP 5 Cb 0.27 -1.27 0.18 0.00 2.34 0.00 0.00 41.12 42.64 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kmi s ILE 6 N -1.69 2.01 -0.46 5.18 -4.36 -1.26 -4.81 121.20 115.80 2kmi s ILE 6 Ca 0.60 0.00 -0.01 0.00 -0.26 0.00 0.00 60.65 60.99 2kmi s ILE 6 Cb 0.37 -2.01 0.37 0.00 1.25 0.00 0.00 42.46 42.44 2kmi s ILE 6 CO -0.19 -0.00 1.96 0.54 0.24 0.00 0.00 174.94 177.49 2kmi n ARG 7 N -4.38 2.19 -3.25 0.37 5.12 -1.26 -4.82 116.66 110.64 2kmi n ARG 7 Ca 0.11 -2.40 -0.16 0.00 -1.93 0.00 0.00 57.85 53.46 2kmi n ARG 7 Cb 0.52 -1.94 0.07 0.00 -1.16 0.00 0.00 32.46 29.95 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 -0.39 -3.27 -3.61 0.55 2.03 -1.26 -3.08 116.55 107.53 2kmi n ASP 8 Ca 0.46 -0.48 -0.21 0.00 0.52 0.00 0.00 54.79 55.08 2kmi n ASP 8 Cb 0.77 -4.25 0.05 0.00 -0.72 0.00 0.00 41.12 36.97 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kmi n TYR 9 N -3.90 -2.01 0.00 -0.67 4.02 -1.26 -4.95 117.16 108.39 2kmi n TYR 9 Ca -0.15 0.83 0.00 0.00 -0.01 0.00 0.00 57.90 58.57 2kmi n TYR 9 Cb 0.61 -4.41 0.00 0.00 -0.02 0.00 0.00 39.34 35.51 2kmi n TYR 9 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2kmi n ASN 10 N -3.05 0.00 -2.67 7.72 5.03 -1.18 -5.03 115.26 116.07 2kmi n ASN 10 Ca -0.26 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.14 2kmi n ASN 10 Cb 0.66 -0.14 0.04 0.00 -1.02 0.00 0.00 39.78 39.33 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 2kmi n ASP 11 N -1.93 -1.45 0.17 6.41 5.75 -1.26 -4.99 116.55 119.24 2kmi n ASP 11 Ca 0.00 -1.99 0.18 0.00 -0.01 0.00 0.00 54.79 52.97 2kmi n ASP 11 Cb 0.00 1.02 0.79 0.00 -1.03 0.00 0.00 41.12 41.90 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 1.52 1.94 -1.00 2.12 0.00 -1.96 -0.91 119.26 120.97 2kmi h ALA 12 Ca -0.46 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2kmi h ALA 12 Cb 1.26 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2kmi h ALA 12 CO -0.15 -0.38 0.65 -0.44 0.00 0.00 0.00 179.25 178.93 2kmi h ASP 13 N 0.00 1.08 0.00 0.00 3.32 -1.94 -0.20 116.42 118.69 2kmi h ASP 13 Ca 0.12 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2kmi h ASP 13 Cb 0.62 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2kmi h ASP 13 CO -0.00 0.74 0.03 -0.03 -1.72 0.00 0.00 179.24 178.26 2kmi h MET 14 N 1.26 0.00 0.00 3.56 4.05 -1.39 -0.12 114.93 122.28 2kmi h MET 14 Ca 0.40 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.80 2kmi h MET 14 Cb 0.01 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2kmi h MET 14 CO -0.13 0.00 -0.10 0.00 0.23 0.00 0.00 176.91 176.91 2kmi h ALA 15 N 1.94 1.13 -0.36 0.39 0.00 -1.14 -2.68 119.26 118.53 2kmi h ALA 15 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2kmi h ALA 15 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kmi h ALA 15 CO 0.00 0.13 0.37 -0.09 0.00 0.00 0.00 179.25 179.66 2kmi h ARG 16 N 0.00 0.00 -0.12 0.00 1.12 -1.13 0.11 114.38 114.36 2kmi h ARG 16 Ca -0.00 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.90 2kmi h ARG 16 Cb 0.42 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.38 2kmi h ARG 16 CO 0.01 0.00 0.18 1.37 -3.11 0.00 0.00 179.97 178.42 2kmi h LEU 17 N 0.00 0.00 -1.71 3.80 8.10 -1.69 -1.38 115.31 122.44 2kmi h LEU 17 Ca 0.17 0.00 0.23 0.00 0.11 0.00 0.00 57.88 58.39 2kmi h LEU 17 Cb 0.92 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 41.08 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 0.23 -1.33 0.17 7.12 -1.01 0.90 115.31 121.39 2kmi h LEU 18 Ca 0.06 0.03 0.21 0.00 0.13 0.00 0.00 57.88 58.31 2kmi h LEU 18 Cb 0.42 -0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.45 2kmi h LEU 18 CO -0.00 0.09 0.62 -0.08 -0.13 0.00 0.00 178.44 178.93 2kmi h GLU 19 N 0.23 0.50 -0.64 1.25 4.57 -1.47 0.26 114.58 119.28 2kmi h GLU 19 Ca 0.45 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.79 2kmi h GLU 19 Cb 1.40 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.85 2kmi h GLU 19 CO -0.11 0.33 0.50 0.37 -1.18 0.00 0.00 179.01 178.92 2kmi h GLN 20 N 0.52 0.00 -1.00 1.92 -0.00 -1.00 0.11 115.11 115.67 2kmi h GLN 20 Ca 0.53 0.00 0.11 0.00 -0.00 0.00 0.00 58.65 59.29 2kmi h GLN 20 Cb 1.15 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 28.54 2kmi h GLN 20 CO -0.26 0.00 0.63 2.35 0.00 0.00 0.00 178.83 181.55 2kmi h TRP 21 N 0.00 1.14 0.07 3.99 7.01 -0.64 -3.17 115.95 124.36 2kmi h TRP 21 Ca 0.30 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.33 2kmi h TRP 21 Cb 1.30 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2kmi h TRP 21 CO 0.00 0.48 -0.03 0.93 -2.79 0.00 0.00 178.44 177.02 2kmi h GLU 22 N 1.02 -0.09 -1.37 2.65 4.39 -1.12 -3.47 114.58 116.59 2kmi h GLU 22 Ca 0.48 0.01 -0.39 0.00 0.34 0.00 0.00 59.36 59.80 2kmi h GLU 22 Cb 0.43 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 28.98 2kmi h GLU 22 CO -0.25 -0.06 -0.39 1.17 -1.16 0.00 0.00 179.01 178.32 2kmi n LYS 23 N -2.52 -1.37 0.20 2.33 4.81 -1.20 -4.85 118.16 115.57 2kmi n LYS 23 Ca -0.01 1.10 0.07 0.00 -0.87 0.00 0.00 58.31 58.60 2kmi n LYS 23 Cb 0.04 -5.47 0.39 0.00 0.02 0.00 0.00 35.03 30.01 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 -5.03 3.14 3.58 -1.85 -3.47 116.42 112.79 2kmi h ASP 24 Ca -0.40 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 56.75 2kmi h ASP 24 Cb 1.26 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.44 2kmi h ASP 24 CO 0.56 0.32 -0.61 -0.67 -2.88 0.00 0.00 179.24 175.96 2kmi n ASP 25 N -3.53 -3.42 0.24 2.28 -0.08 -1.26 -4.90 116.55 105.90 2kmi n ASP 25 Ca -0.00 -0.49 0.10 0.00 -1.51 0.00 0.00 54.79 52.89 2kmi n ASP 25 Cb 0.47 -4.32 0.62 0.00 2.34 0.00 0.00 41.12 40.23 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kmi h ASP 26 N -1.84 0.00 -3.68 1.67 3.58 -1.63 -3.43 116.42 111.10 2kmi h ASP 26 Ca -0.48 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 56.73 2kmi h ASP 26 Cb 1.29 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 42.05 2kmi h ASP 26 CO 0.43 0.17 -0.69 -0.63 -2.88 0.00 0.00 179.24 175.65 2kmi s ILE 27 N -4.21 -0.01 -0.03 2.25 -1.09 -1.26 -5.03 121.20 111.82 2kmi s ILE 27 Ca -0.03 0.05 0.03 0.00 -2.23 0.00 0.00 60.65 58.48 2kmi s ILE 27 Cb 0.13 -0.07 -0.05 0.00 -1.58 0.00 0.00 42.46 40.90 2kmi s ILE 27 CO 0.62 0.02 0.03 1.21 -1.23 0.00 0.00 174.94 175.60 2kmi n GLU 28 N 3.36 2.55 -2.52 2.79 4.07 -1.26 -4.87 120.64 124.75 2kmi n GLU 28 Ca -0.16 -0.01 -0.23 0.00 -0.06 0.00 0.00 57.16 56.69 2kmi n GLU 28 Cb 0.57 -1.09 0.04 0.00 -0.06 0.00 0.00 31.44 30.91 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kmi s GLU 29 N -2.13 2.56 0.00 5.31 2.12 -1.26 -4.90 118.70 120.40 2kmi s GLU 29 Ca -0.02 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2kmi s GLU 29 Cb 0.01 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.03 2kmi s GLU 29 CO 0.14 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.46 2kmi n GLY 30 N -2.51 0.60 3.89 -1.50 0.00 -1.26 -4.73 105.19 99.67 2kmi n GLY 30 Ca 0.07 0.00 -0.30 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 -0.88 6.51 0.21 1.61 -4.77 -1.26 -3.75 116.67 114.34 2kmi s ASP 31 Ca 0.00 0.83 0.08 0.00 -3.30 0.00 0.00 52.55 50.16 2kmi s ASP 31 Cb 0.00 -2.19 -0.05 0.00 -1.09 0.00 0.00 42.92 39.59 2kmi s ASP 31 CO 0.00 -0.18 -0.13 -0.76 0.70 0.00 0.00 175.17 174.79 2kmi s LEU 32 N -3.36 2.54 -0.68 2.11 1.02 -1.26 -5.02 118.68 114.04 2kmi s LEU 32 Ca 0.46 -1.04 -0.26 0.00 0.02 0.00 0.00 54.13 53.31 2kmi s LEU 32 Cb -0.11 -0.66 -0.03 0.00 0.02 0.00 0.00 46.19 45.41 2kmi s LEU 32 CO 0.27 -0.19 1.88 -2.16 0.02 0.00 0.00 176.35 176.17 2kmi s PRO 33 N -3.66 2.61 -0.17 1.29 0.04 -1.26 -4.95 135.00 128.90 2kmi s PRO 33 Ca 0.23 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2kmi s PRO 33 Cb -0.00 -4.54 0.03 0.00 0.04 0.00 0.00 34.50 30.04 2kmi s PRO 33 CO 0.07 -2.88 -0.11 -1.83 0.04 0.00 0.00 177.00 172.30 2kmi s GLU 34 N 7.04 2.00 0.00 4.56 -1.05 -1.26 -4.92 118.70 125.08 2kmi s GLU 34 Ca 0.68 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.84 2kmi s GLU 34 Cb -0.11 -2.20 0.00 0.00 -0.44 0.00 0.00 34.13 31.38 2kmi s GLU 34 CO 0.16 -0.35 0.00 -2.39 0.95 0.00 0.00 175.26 173.63 2kmi n HIS 35 N 4.76 -1.38 -3.71 4.83 1.44 -1.26 -5.03 115.22 114.87 2kmi n HIS 35 Ca -0.15 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.44 2kmi n HIS 35 Cb 0.48 0.48 -0.10 0.00 0.12 0.00 0.00 29.99 30.98 2kmi n HIS 35 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2kmi s LYS 36 N -1.97 0.48 0.29 -1.40 1.02 -1.26 -4.66 119.74 112.24 2kmi s LYS 36 Ca 0.00 0.69 0.11 0.00 0.02 0.00 0.00 55.97 56.79 2kmi s LYS 36 Cb 0.00 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 2kmi s LYS 36 CO 0.00 -0.10 -0.16 1.03 -0.92 0.00 0.00 175.35 175.20 2kmi s ARG 37 N 0.69 1.78 0.27 1.68 3.00 -1.26 -5.11 118.95 120.00 2kmi s ARG 37 Ca -0.04 -1.74 -0.29 0.00 0.00 0.00 0.00 55.73 53.66 2kmi s ARG 37 Cb -0.05 -1.82 -0.10 0.00 0.00 0.00 0.00 34.95 32.99 2kmi s ARG 37 CO -0.05 0.31 1.25 -1.25 0.00 0.00 0.00 175.30 175.56 2kmi s PRO 38 N -3.55 4.44 -0.39 3.54 0.04 -1.26 -4.94 135.00 132.89 2kmi s PRO 38 Ca 0.31 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.23 2kmi s PRO 38 Cb -0.04 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.36 2kmi s PRO 38 CO 0.16 -0.10 0.45 -1.54 0.04 0.00 0.00 177.00 176.00 2kmi s SER 39 N -0.31 6.22 -0.26 6.66 1.04 -1.26 -4.76 113.70 121.04 2kmi s SER 39 Ca 0.50 -0.43 -0.37 0.00 0.48 0.00 0.00 55.95 56.13 2kmi s SER 39 Cb -0.37 -2.23 0.15 0.00 0.10 0.00 0.00 66.02 63.67 2kmi s SER 39 CO 0.45 -0.52 1.34 0.00 0.98 0.00 0.00 173.24 175.49 2kmi s ALA 40 N 2.21 -2.18 0.16 5.32 0.00 -1.25 -5.07 121.76 120.94 2kmi s ALA 40 Ca 0.14 1.80 -0.31 0.00 0.00 0.00 0.00 51.96 53.59 2kmi s ALA 40 Cb -0.16 -0.30 -0.08 0.00 0.00 0.00 0.00 23.12 22.57 2kmi s ALA 40 CO 0.14 -0.58 1.33 -1.25 0.00 0.00 0.00 175.76 175.40 2kmi s PRO 41 N -2.14 4.37 -0.11 0.00 0.04 -1.26 -3.33 135.00 132.56 2kmi s PRO 41 Ca 0.11 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.20 2kmi s PRO 41 Cb -0.01 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.33 2kmi s PRO 41 CO -0.03 -0.32 -0.12 -1.50 0.04 0.00 0.00 177.00 175.06 2kmi s ILE 42 N 0.56 1.32 0.08 0.56 2.07 -1.26 -4.98 121.20 119.54 2kmi s ILE 42 Ca 0.60 -0.52 -0.16 0.00 -1.41 0.00 0.00 60.65 59.16 2kmi s ILE 42 Cb -0.36 -1.24 0.03 0.00 0.13 0.00 0.00 42.46 41.02 2kmi s ILE 42 CO 0.34 0.41 0.38 -1.81 -1.91 0.00 0.00 174.94 172.35 2kmi s ASP 43 N 1.20 -0.21 -0.05 4.50 1.11 -1.26 -4.05 116.67 117.91 2kmi s ASP 43 Ca -0.03 -0.19 -0.16 0.00 0.18 0.00 0.00 52.55 52.35 2kmi s ASP 43 Cb -0.14 0.43 -0.31 0.00 1.07 0.00 0.00 42.92 43.97 2kmi s ASP 43 CO -0.04 -0.73 0.74 0.15 1.18 0.00 0.00 175.17 176.47 2kmi h PHE 44 N 2.78 0.65 -0.24 4.23 3.04 -1.83 -3.36 116.94 122.21 2kmi h PHE 44 Ca -0.33 -0.47 -0.08 0.00 3.98 0.00 0.00 57.97 61.07 2kmi h PHE 44 Cb 1.22 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 39.66 2kmi h PHE 44 CO 0.39 1.55 -0.08 0.45 -2.02 0.00 0.00 178.31 178.59 2kmi n SER 45 N -3.83 2.82 -3.03 0.41 2.88 -1.26 -5.02 113.62 106.59 2kmi n SER 45 Ca -0.21 -3.46 -0.12 0.00 -1.33 0.00 0.00 58.87 53.76 2kmi n SER 45 Cb 0.97 -0.57 0.01 0.00 -0.75 0.00 0.00 64.21 63.88 2kmi n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kmi n LYS 46 N -0.98 -2.20 -3.89 -1.46 5.02 -1.26 -4.97 118.16 108.42 2kmi n LYS 46 Ca 0.26 1.90 -0.34 0.00 -2.02 0.00 0.00 58.31 58.11 2kmi n LYS 46 Cb 0.90 -3.91 -0.13 0.00 -0.02 0.00 0.00 35.03 31.87 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kmi s LEU 47 N -2.01 4.99 -0.48 -0.35 1.43 -1.26 -4.99 118.68 116.01 2kmi s LEU 47 Ca 0.17 -2.18 0.08 0.00 -1.03 0.00 0.00 54.13 51.16 2kmi s LEU 47 Cb -0.03 -1.73 0.26 0.00 0.03 0.00 0.00 46.19 44.72 2kmi s LEU 47 CO 0.66 -0.45 0.64 0.47 0.23 0.00 0.00 176.35 177.90 2kmi n ASP 48 N 4.31 1.64 0.27 2.29 8.00 -1.26 -4.91 116.55 126.89 2kmi n ASP 48 Ca 0.01 -3.02 0.17 0.00 0.71 0.00 0.00 54.79 52.67 2kmi n ASP 48 Cb 0.41 -0.64 0.70 0.00 -0.02 0.00 0.00 41.12 41.56 2kmi n ASP 48 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kmi h PRO 49 N 3.91 0.00 -3.25 -0.24 0.13 -2.02 -3.48 132.00 127.05 2kmi h PRO 49 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2kmi h PRO 49 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2kmi h PRO 49 CO 0.61 0.00 -0.07 0.41 -0.23 0.00 0.00 178.00 178.72 2kmi n GLY 50 N -0.02 -1.39 3.73 1.56 0.00 -1.26 -5.03 105.19 102.78 2kmi n GLY 50 Ca 0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.90 1.69 0.55 1.61 1.02 -1.26 -4.99 119.74 117.46 2kmi s LYS 51 Ca 0.02 1.25 -0.19 0.00 0.02 0.00 0.00 55.97 57.07 2kmi s LYS 51 Cb -0.01 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.42 2kmi s LYS 51 CO 0.09 -2.07 1.13 -1.25 -0.92 0.00 0.00 175.35 172.33 2kmi s PRO 52 N -4.82 3.33 0.39 -1.68 0.04 -1.26 -4.95 135.00 126.06 2kmi s PRO 52 Ca 0.63 1.60 0.19 0.00 0.04 0.00 0.00 61.00 63.47 2kmi s PRO 52 Cb -0.19 -2.00 0.74 0.00 0.04 0.00 0.00 34.50 33.09 2kmi s PRO 52 CO 0.57 -0.86 1.76 1.05 0.04 0.00 0.00 177.00 179.56 2kmi h GLU 53 N 1.15 0.00 0.82 4.56 -0.00 -1.99 -2.99 114.58 116.12 2kmi h GLU 53 Ca -0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 58.83 2kmi h GLU 53 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.01 2kmi h GLU 53 CO 0.57 0.35 -0.50 1.03 -0.00 0.00 0.00 179.01 180.46 2kmi h SER 54 N 0.00 -1.25 -0.72 3.06 0.87 -2.01 -2.29 113.55 111.21 2kmi h SER 54 Ca -0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2kmi h SER 54 Cb 0.84 0.36 -0.04 0.00 -0.44 0.00 0.00 62.40 63.13 2kmi h SER 54 CO 0.05 -0.77 0.45 0.40 -0.53 0.00 0.00 176.83 176.43 2kmi h ILE 55 N -1.23 1.20 -0.34 2.23 1.08 -1.97 -1.57 117.51 116.91 2kmi h ILE 55 Ca -0.11 -0.43 0.10 0.00 -0.39 0.00 0.00 64.86 64.03 2kmi h ILE 55 Cb 0.98 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 2kmi h ILE 55 CO 0.11 0.21 0.26 0.25 -0.69 0.00 0.00 178.15 178.30 2kmi h LEU 56 N 1.00 0.00 -0.24 1.44 6.46 -1.35 -1.15 115.31 121.48 2kmi h LEU 56 Ca 0.26 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.92 2kmi h LEU 56 Cb -0.05 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2kmi h LEU 56 CO -0.05 0.00 -0.26 0.50 -0.62 0.00 0.00 178.44 178.01 2kmi h LYS 57 N 0.00 0.60 0.54 1.25 3.64 -0.70 -3.30 116.57 118.59 2kmi h LYS 57 Ca 0.16 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 2kmi h LYS 57 Cb 0.69 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 2kmi h LYS 57 CO -0.00 0.92 -0.46 0.52 -2.27 0.00 0.00 179.45 178.16 2kmi h MET 58 N 0.30 -0.94 -4.92 1.90 2.86 -1.21 -3.39 114.93 109.52 2kmi h MET 58 Ca 0.04 0.06 -0.64 0.00 -2.06 0.00 0.00 59.70 57.10 2kmi h MET 58 Cb 0.82 0.21 -0.17 0.00 0.06 0.00 0.00 31.60 32.52 2kmi h MET 58 CO 0.06 -0.63 -0.52 0.95 1.06 0.00 0.00 176.91 177.83 2kmi s THR 59 N -5.93 5.30 -0.50 2.22 -4.23 -1.08 -5.01 115.64 106.41 2kmi s THR 59 Ca -0.18 0.17 0.07 0.00 -1.18 0.00 0.00 61.69 60.57 2kmi s THR 59 Cb 0.04 -3.52 0.25 0.00 1.34 0.00 0.00 72.50 70.61 2kmi s THR 59 CO 0.61 0.26 0.61 0.29 -0.54 0.00 0.00 174.62 175.85 2kmi n LYS 60 N 4.99 1.46 -4.03 3.99 5.02 -1.26 -4.68 118.16 123.64 2kmi n LYS 60 Ca -0.14 -3.83 -0.34 0.00 -2.02 0.00 0.00 58.31 51.98 2kmi n LYS 60 Cb 0.52 -1.66 -0.15 0.00 -0.02 0.00 0.00 35.03 33.72 2kmi n LYS 60 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2kmi s LYS 61 N -1.69 3.11 -0.73 1.97 -2.85 -1.26 -5.06 119.74 113.22 2kmi s LYS 61 Ca 0.37 -0.77 0.01 0.00 -1.00 0.00 0.00 55.97 54.57 2kmi s LYS 61 Cb 0.16 -2.76 0.18 0.00 -2.06 0.00 0.00 37.83 33.35 2kmi s LYS 61 CO -0.07 -0.22 0.56 0.20 0.10 0.00 0.00 175.35 175.91 2kmi s GLY 62 N 1.36 2.85 -0.08 0.59 0.00 -1.26 -4.92 107.32 105.85 2kmi s GLY 62 Ca 0.05 -3.66 -0.14 0.00 0.00 0.00 0.00 44.72 40.97 2kmi s GLY 62 CO -0.09 1.12 0.34 0.54 0.00 0.00 0.00 173.10 175.01 2kmi s LYS 63 N -1.00 0.55 0.63 2.90 1.02 -1.26 -4.38 119.74 118.19 2kmi s LYS 63 Ca 0.23 0.18 -0.03 0.00 0.02 0.00 0.00 55.97 56.37 2kmi s LYS 63 Cb -0.11 0.25 0.05 0.00 -0.52 0.00 0.00 37.83 37.50 2kmi s LYS 63 CO -0.10 -0.12 0.90 0.99 -0.92 0.00 0.00 175.35 176.10 2kmi s THR 64 N -0.53 2.55 -0.16 2.17 2.01 -1.26 -4.55 115.64 115.86 2kmi s THR 64 Ca -0.06 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2kmi s THR 64 Cb -0.04 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.46 2kmi s THR 64 CO 0.02 -0.03 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.57 2kmi s LEU 65 N -5.02 1.82 -0.30 4.42 2.96 -1.26 -4.27 118.68 117.02 2kmi s LEU 65 Ca 0.58 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.82 2kmi s LEU 65 Cb -0.11 -1.18 0.17 0.00 0.50 0.00 0.00 46.19 45.57 2kmi s LEU 65 CO 0.42 -0.08 0.83 0.00 -1.32 0.00 0.00 176.35 176.20 2kmi s MET 66 N 1.47 0.39 -0.18 1.98 0.23 -1.22 -4.03 119.30 117.94 2kmi s MET 66 Ca 0.03 0.81 -0.16 0.00 -1.03 0.00 0.00 55.69 55.35 2kmi s MET 66 Cb -0.14 0.47 0.05 0.00 -1.53 0.00 0.00 34.83 33.68 2kmi s MET 66 CO -0.10 -0.32 0.47 -1.64 -2.03 0.00 0.00 175.02 171.41 2kmi s MET 67 N 2.79 0.54 -0.10 3.16 -1.94 -1.19 -1.50 119.30 121.07 2kmi s MET 67 Ca 0.05 0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 54.71 2kmi s MET 67 Cb -0.11 0.23 0.03 0.00 2.01 0.00 0.00 34.83 36.99 2kmi s MET 67 CO -0.17 -0.08 -0.03 -0.06 -0.01 0.00 0.00 175.02 174.67 2kmi s PHE 68 N 0.41 1.03 0.01 -0.03 0.08 -0.71 -2.96 117.98 115.81 2kmi s PHE 68 Ca -0.01 -0.45 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 2kmi s PHE 68 Cb -0.04 -1.00 -0.00 0.00 -0.57 0.00 0.00 43.02 41.41 2kmi s PHE 68 CO -0.01 -0.42 0.12 0.08 -0.10 0.00 0.00 175.22 174.88 2kmi s VAL 69 N 1.85 0.09 -0.39 -0.44 1.01 -1.08 -0.06 120.40 121.38 2kmi s VAL 69 Ca 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2kmi s VAL 69 Cb -0.13 -0.49 0.23 0.00 0.00 0.00 0.00 36.38 35.99 2kmi s VAL 69 CO -0.07 -0.43 1.05 1.07 0.00 0.00 0.00 175.10 176.73 2kmi n THR 70 N 1.34 0.00 -3.61 3.92 5.66 0.81 -1.54 114.28 120.87 2kmi n THR 70 Ca -0.22 -0.67 0.01 0.00 -3.05 0.00 0.00 64.05 60.12 2kmi n THR 70 Cb 0.56 0.95 -0.01 0.00 -1.55 0.00 0.00 70.33 70.28 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 0.64 0.00 0.02 1.08 0.11 -1.18 -1.14 120.40 119.93 2kmi s VAL 71 Ca 0.27 -0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.04 2kmi s VAL 71 Cb 0.15 -1.83 -0.06 0.00 -1.53 0.00 0.00 36.38 33.11 2kmi s VAL 71 CO -0.11 0.00 0.39 -0.55 -3.33 0.00 0.00 175.10 171.49 2kmi s SER 72 N -2.84 6.72 0.00 3.54 0.15 -1.26 -3.31 113.70 116.69 2kmi s SER 72 Ca 0.14 0.87 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2kmi s SER 72 Cb 0.04 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 2kmi s SER 72 CO -0.04 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2kmi n GLY 73 N 1.49 -2.05 2.65 9.45 0.00 -1.26 -3.68 105.19 111.79 2kmi n GLY 73 Ca -0.12 -0.52 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.06 -4.69 1.61 5.03 -1.26 -3.51 115.26 111.38 2kmi n ASN 74 Ca 0.00 -0.96 -0.42 0.00 0.87 0.00 0.00 54.58 54.07 2kmi n ASN 74 Cb 0.00 0.53 -0.03 0.00 -1.02 0.00 0.00 39.78 39.27 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2kmi s PRO 75 N 0.60 4.28 -0.09 3.52 0.04 -1.26 -4.29 135.00 137.80 2kmi s PRO 75 Ca 0.23 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.32 2kmi s PRO 75 Cb 0.17 -3.53 0.08 0.00 0.04 0.00 0.00 34.50 31.26 2kmi s PRO 75 CO -0.09 -0.57 0.74 -2.37 0.04 0.00 0.00 177.00 174.75 2kmi n THR 76 N 4.56 0.00 -0.25 1.26 5.66 -1.26 -5.00 114.28 119.25 2kmi n THR 76 Ca 0.13 -0.25 0.19 0.00 -3.05 0.00 0.00 64.05 61.07 2kmi n THR 76 Cb 0.43 0.59 0.50 0.00 -1.55 0.00 0.00 70.33 70.31 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2kmi h GLU 77 N 0.31 0.41 -0.32 1.09 4.11 -1.88 -0.27 114.58 118.03 2kmi h GLU 77 Ca -0.14 -0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.28 2kmi h GLU 77 Cb 1.08 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 2kmi h GLU 77 CO -0.06 0.27 0.16 1.57 0.07 0.00 0.00 179.01 181.03 2kmi h LYS 78 N 0.42 0.33 -0.35 1.06 2.10 -1.99 -2.38 116.57 115.76 2kmi h LYS 78 Ca 0.48 -0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 59.01 2kmi h LYS 78 Cb 1.17 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 2kmi h LYS 78 CO -0.19 0.22 -0.20 1.49 -2.00 0.00 0.00 179.45 178.77 2kmi h GLU 79 N 0.34 0.67 -0.08 0.07 4.22 -1.50 -3.17 114.58 115.15 2kmi h GLU 79 Ca 0.13 -0.25 0.04 0.00 0.08 0.00 0.00 59.36 59.36 2kmi h GLU 79 Cb 0.04 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2kmi h GLU 79 CO -0.09 0.83 -0.34 1.15 -2.18 0.00 0.00 179.01 178.38 2kmi h THR 80 N 0.60 0.26 -0.98 0.32 2.02 -0.83 -1.13 112.91 113.16 2kmi h THR 80 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 2kmi h THR 80 Cb 0.67 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.25 2kmi h THR 80 CO 0.05 0.00 0.62 -0.08 0.37 0.00 0.00 175.52 176.48 2kmi h GLU 81 N -0.45 0.87 -0.05 6.66 4.81 -1.47 0.24 114.58 125.19 2kmi h GLU 81 Ca 0.08 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2kmi h GLU 81 Cb 0.57 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2kmi h GLU 81 CO -0.33 0.57 0.09 1.49 -0.73 0.00 0.00 179.01 180.10 2kmi h GLU 82 N 0.89 0.00 -0.18 1.92 4.81 -1.19 -0.56 114.58 120.27 2kmi h GLU 82 Ca 0.50 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.60 2kmi h GLU 82 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2kmi h GLU 82 CO -0.27 0.00 -0.46 0.82 -0.73 0.00 0.00 179.01 178.36 2kmi h ILE 83 N 0.00 1.32 -1.00 2.32 2.04 -0.20 -3.07 117.51 118.91 2kmi h ILE 83 Ca 0.02 -1.66 0.21 0.00 1.00 0.00 0.00 64.86 64.43 2kmi h ILE 83 Cb 0.20 1.68 -0.10 0.00 -0.74 0.00 0.00 36.82 37.86 2kmi h ILE 83 CO -0.00 0.51 0.62 0.74 0.00 0.00 0.00 178.15 180.02 2kmi h THR 84 N 0.37 0.65 -0.06 -0.27 2.02 -1.14 -0.99 112.91 113.48 2kmi h THR 84 Ca 0.02 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 2kmi h THR 84 Cb 0.96 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2kmi h THR 84 CO 0.08 0.12 -0.10 0.28 0.37 0.00 0.00 175.52 176.27 2kmi h SER 85 N 0.65 0.20 -0.88 4.18 0.02 -1.66 -3.14 113.55 112.92 2kmi h SER 85 Ca 0.59 -0.54 0.19 0.00 -0.84 0.00 0.00 61.79 61.19 2kmi h SER 85 Cb 1.07 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.49 2kmi h SER 85 CO -0.37 0.70 0.58 -0.07 -1.14 0.00 0.00 176.83 176.53 2kmi h LEU 86 N -0.30 0.42 -0.97 5.07 3.38 -1.22 -0.06 115.31 121.63 2kmi h LEU 86 Ca 0.01 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.20 2kmi h LEU 86 Cb 0.65 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 2kmi h LEU 86 CO 0.02 0.18 0.57 -0.25 0.09 0.00 0.00 178.44 179.05 2kmi h TRP 87 N 0.42 1.00 -1.00 1.13 7.01 -1.24 0.12 115.95 123.39 2kmi h TRP 87 Ca 0.45 0.03 0.25 0.00 2.11 0.00 0.00 58.89 61.74 2kmi h TRP 87 Cb 1.09 -0.29 -0.08 0.00 -2.10 0.00 0.00 29.16 27.78 2kmi h TRP 87 CO -0.00 0.21 0.66 0.37 -2.79 0.00 0.00 178.44 176.89 2kmi h GLN 88 N 0.72 0.36 0.49 2.65 5.75 -1.12 -0.60 115.11 123.36 2kmi h GLN 88 Ca 0.56 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 59.01 2kmi h GLN 88 Cb 0.86 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.34 2kmi h GLN 88 CO -0.39 0.23 -0.23 0.78 -2.65 0.00 0.00 178.83 176.57 2kmi h GLY 89 N 0.37 -0.69 0.22 2.39 0.00 -0.89 -3.24 103.07 101.24 2kmi h GLY 89 Ca 0.54 0.25 0.21 0.00 0.00 0.00 0.00 47.33 48.34 2kmi h GLY 89 CO -0.23 -0.25 0.61 0.23 0.00 0.00 0.00 176.54 176.91 2kmi h SER 90 N -1.17 0.42 -0.98 0.19 0.87 -1.37 0.88 113.55 112.39 2kmi h SER 90 Ca -0.07 0.05 0.19 0.00 -1.23 0.00 0.00 61.79 60.73 2kmi h SER 90 Cb 0.51 -0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 62.35 2kmi h SER 90 CO 0.11 0.15 0.61 0.25 -0.53 0.00 0.00 176.83 177.43 2kmi h LEU 91 N 0.41 0.68 -0.59 2.23 6.46 -1.15 0.11 115.31 123.46 2kmi h LEU 91 Ca 0.49 0.08 -0.15 0.00 -0.12 0.00 0.00 57.88 58.18 2kmi h LEU 91 Cb 1.23 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.10 2kmi h LEU 91 CO -0.20 0.26 -0.47 0.15 -0.62 0.00 0.00 178.44 177.57 2kmi h PHE 92 N 0.68 0.71 0.14 1.25 3.57 -0.89 -3.28 116.94 119.12 2kmi h PHE 92 Ca 0.54 -0.23 0.01 0.00 3.53 0.00 0.00 57.97 61.82 2kmi h PHE 92 Cb 0.95 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 2kmi h PHE 92 CO -0.00 0.94 -0.52 -0.97 -2.23 0.00 0.00 178.31 175.53 2kmi h ASN 93 N 0.46 -1.55 0.00 0.41 -0.73 -0.73 -3.46 115.58 109.98 2kmi h ASN 93 Ca 0.03 0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.36 2kmi h ASN 93 Cb 0.99 0.57 0.00 0.00 0.27 0.00 0.00 38.32 40.15 2kmi h ASN 93 CO 0.09 -0.55 0.00 0.00 -0.37 0.00 0.00 177.43 176.60 2kmi n ALA 94 N -2.91 2.24 -2.66 1.57 0.00 -1.12 -2.51 120.51 115.10 2kmi n ALA 94 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 2kmi n ALA 94 Cb 0.41 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.35 -1.26 -2.53 0.00 2.85 -1.24 -4.98 115.26 106.76 2kmi n ASN 95 Ca 0.00 -1.85 -0.06 0.00 -0.11 0.00 0.00 54.58 52.56 2kmi n ASN 95 Cb 0.00 1.03 -0.05 0.00 1.24 0.00 0.00 39.78 42.00 2kmi n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kmi n TYR 96 N 0.80 -4.31 -3.28 1.20 9.36 -1.26 -4.95 117.16 114.72 2kmi n TYR 96 Ca -0.03 2.51 -0.30 0.00 3.32 0.00 0.00 57.90 63.39 2kmi n TYR 96 Cb 0.74 -3.82 -0.06 0.00 -0.63 0.00 0.00 39.34 35.58 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2kmi n ASP 97 N 1.63 4.43 -4.14 2.98 8.00 -1.26 -5.04 116.55 123.15 2kmi n ASP 97 Ca -0.41 -3.47 -0.20 0.00 0.71 0.00 0.00 54.79 51.42 2kmi n ASP 97 Cb 0.63 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 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 -2.79 1.12 -0.02 2.53 1.01 -1.26 -2.04 120.40 118.95 2kmi s VAL 98 Ca 0.39 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2kmi s VAL 98 Cb 0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2kmi s VAL 98 CO -0.00 0.05 -0.12 -1.10 0.00 0.00 0.00 175.10 173.92 2kmi s GLN 99 N -1.03 1.16 0.02 2.72 1.11 0.83 -4.81 119.66 119.65 2kmi s GLN 99 Ca 0.02 -0.44 0.05 0.00 0.01 0.00 0.00 55.36 55.00 2kmi s GLN 99 Cb -0.08 -1.08 -0.02 0.00 -1.01 0.00 0.00 33.01 30.83 2kmi s GLN 99 CO 0.01 0.22 -0.14 0.50 0.01 0.00 0.00 175.29 175.89 2kmi s ARG 100 N -0.08 0.99 -0.07 2.91 3.52 -0.70 -1.21 118.95 124.31 2kmi s ARG 100 Ca 0.01 -0.64 -0.14 0.00 -0.13 0.00 0.00 55.73 54.83 2kmi s ARG 100 Cb -0.07 -0.98 0.03 0.00 -1.56 0.00 0.00 34.95 32.37 2kmi s ARG 100 CO 0.00 0.25 0.33 0.12 -0.81 0.00 0.00 175.30 175.20 2kmi s PHE 101 N -0.63 -0.29 -0.11 5.12 5.36 -1.01 -3.61 117.98 122.81 2kmi s PHE 101 Ca 0.03 0.60 -0.00 0.00 -0.96 0.00 0.00 56.93 56.60 2kmi s PHE 101 Cb -0.07 0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.75 2kmi s PHE 101 CO 0.01 -0.29 -0.07 0.42 -1.46 0.00 0.00 175.22 173.82 2kmi s ILE 102 N -0.58 0.99 -0.12 3.12 -1.09 -1.26 -2.67 121.20 119.59 2kmi s ILE 102 Ca -0.07 -0.27 -0.05 0.00 -2.23 0.00 0.00 60.65 58.04 2kmi s ILE 102 Cb -0.04 -1.02 0.06 0.00 -1.58 0.00 0.00 42.46 39.88 2kmi s ILE 102 CO 0.02 0.36 0.25 0.54 -1.23 0.00 0.00 174.94 174.88 2kmi s VAL 103 N 1.71 -0.28 0.00 2.92 0.11 -1.18 -5.07 120.40 118.60 2kmi s VAL 103 Ca 0.05 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2kmi s VAL 103 Cb -0.13 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2kmi s VAL 103 CO -0.08 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2kmi n GLY 104 N 5.00 1.54 0.97 6.54 0.00 -1.26 -3.06 105.19 114.92 2kmi n GLY 104 Ca -0.12 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 4.31 3.13 -4.23 1.61 7.64 -1.26 -4.93 113.62 119.89 2kmi n SER 105 Ca 0.00 -1.91 -0.27 0.00 1.01 0.00 0.00 58.87 57.69 2kmi n SER 105 Cb 0.00 -0.19 -0.15 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.37 2.51 0.04 6.43 1.47 -1.17 -4.38 116.67 120.20 2kmi s ASP 106 Ca 0.32 -0.40 0.07 0.00 1.18 0.00 0.00 52.55 53.72 2kmi s ASP 106 Cb 0.19 -0.27 -0.03 0.00 -0.34 0.00 0.00 42.92 42.47 2kmi s ASP 106 CO 0.27 0.25 -0.20 0.00 0.68 0.00 0.00 175.17 176.17 2kmi s ARG 107 N -0.58 1.36 0.05 2.11 1.70 -1.21 -3.13 118.95 119.26 2kmi s ARG 107 Ca 0.08 -0.93 0.08 0.00 -0.47 0.00 0.00 55.73 54.49 2kmi s ARG 107 Cb -0.08 -1.47 -0.03 0.00 -0.57 0.00 0.00 34.95 32.80 2kmi s ARG 107 CO -0.01 0.37 -0.23 0.00 -1.08 0.00 0.00 175.30 174.36 2kmi s ALA 108 N -0.81 1.96 -0.04 7.88 0.00 -1.09 -3.13 121.76 126.54 2kmi s ALA 108 Ca 0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 2kmi s ALA 108 Cb -0.09 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2kmi s ALA 108 CO 0.02 0.45 0.09 -1.50 0.00 0.00 0.00 175.76 174.82 2kmi s ILE 109 N -0.83 -0.01 -0.10 0.00 2.07 -0.59 -2.42 121.20 119.31 2kmi s ILE 109 Ca 0.09 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.38 2kmi s ILE 109 Cb -0.09 -0.15 0.03 0.00 0.13 0.00 0.00 42.46 42.37 2kmi s ILE 109 CO 0.02 0.02 -0.06 0.12 -1.91 0.00 0.00 174.94 173.14 2kmi s PHE 110 N 0.34 1.29 -0.07 3.50 5.36 -0.35 -2.64 117.98 125.40 2kmi s PHE 110 Ca -0.02 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.36 2kmi s PHE 110 Cb -0.04 -1.13 0.02 0.00 -0.34 0.00 0.00 43.02 41.53 2kmi s PHE 110 CO -0.01 -0.47 -0.10 0.00 -1.46 0.00 0.00 175.22 173.18 2kmi s MET 111 N 1.77 1.52 -0.02 10.12 0.23 -1.15 -0.12 119.30 131.64 2kmi s MET 111 Ca 0.05 -0.32 -0.16 0.00 -1.03 0.00 0.00 55.69 54.23 2kmi s MET 111 Cb -0.12 -1.37 0.03 0.00 -1.53 0.00 0.00 34.83 31.83 2kmi s MET 111 CO -0.07 -0.07 0.33 -1.17 -2.03 0.00 0.00 175.02 172.01 2kmi s LEU 112 N 0.99 0.77 0.14 0.18 1.98 -0.86 -3.16 118.68 118.72 2kmi s LEU 112 Ca -0.09 0.14 -0.15 0.00 -2.89 0.00 0.00 54.13 51.14 2kmi s LEU 112 Cb -0.15 1.33 0.01 0.00 0.66 0.00 0.00 46.19 48.05 2kmi s LEU 112 CO -0.00 -0.44 1.73 0.03 -1.89 0.00 0.00 176.35 175.78 2kmi h ARG 113 N 3.88 0.61 0.00 1.98 3.08 -1.84 -3.34 114.38 118.75 2kmi h ARG 113 Ca -0.29 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2kmi h ARG 113 Cb 1.17 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.11 2kmi h ARG 113 CO 0.40 0.52 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.35 2kmi h ASP 114 N 0.56 0.00 0.00 7.04 3.32 -1.91 -3.36 116.42 122.07 2kmi h ASP 114 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2kmi h ASP 114 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2kmi h ASP 114 CO -0.02 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 2kmi n GLY 115 N 1.84 1.72 0.49 2.75 0.00 -1.25 -4.66 105.19 106.07 2kmi n GLY 115 Ca -0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.56 0.35 1.61 0.87 -1.93 0.26 113.55 113.15 2kmi h SER 116 Ca 0.00 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2kmi h SER 116 Cb 0.00 0.56 -0.01 0.00 -0.44 0.00 0.00 62.40 62.51 2kmi h SER 116 CO 0.00 -0.58 -0.34 0.22 -0.53 0.00 0.00 176.83 175.60 2kmi h TYR 117 N -0.81 0.00 0.00 2.24 5.03 -2.01 -2.49 116.97 118.94 2kmi h TYR 117 Ca -0.02 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.22 2kmi h TYR 117 Cb 0.78 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 2kmi h TYR 117 CO -0.42 0.34 -0.35 0.00 -1.32 0.00 0.00 178.16 176.42 2kmi h ALA 118 N 1.66 1.36 -0.98 1.82 0.00 -1.68 -2.83 119.26 118.61 2kmi h ALA 118 Ca -0.00 -0.32 0.27 0.00 0.00 0.00 0.00 54.91 54.86 2kmi h ALA 118 Cb 0.61 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2kmi h ALA 118 CO 0.04 0.43 0.69 2.35 0.00 0.00 0.00 179.25 182.77 2kmi h TRP 119 N 0.00 0.15 -0.10 0.00 2.91 -0.02 0.33 115.95 119.21 2kmi h TRP 119 Ca -0.00 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 2kmi h TRP 119 Cb 0.64 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.24 2kmi h TRP 119 CO 0.00 0.02 -0.15 1.49 -1.03 0.00 0.00 178.44 178.78 2kmi h GLU 120 N 0.10 0.28 0.18 2.65 4.81 -1.67 -2.62 114.58 118.31 2kmi h GLU 120 Ca 0.49 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2kmi h GLU 120 Cb 1.75 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.15 2kmi h GLU 120 CO -0.06 0.73 -0.09 0.82 -0.73 0.00 0.00 179.01 179.69 2kmi h ILE 121 N -0.15 0.91 -0.85 2.32 5.03 -1.06 -3.12 117.51 120.60 2kmi h ILE 121 Ca 0.01 -0.95 0.25 0.00 -0.12 0.00 0.00 64.86 64.04 2kmi h ILE 121 Cb 0.71 1.43 -0.03 0.00 -3.03 0.00 0.00 36.82 35.89 2kmi h ILE 121 CO 0.03 0.20 0.63 0.07 -0.68 0.00 0.00 178.15 178.40 2kmi h LYS 122 N -0.75 0.00 0.08 2.37 5.09 -0.59 -1.88 116.57 120.89 2kmi h LYS 122 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.73 2kmi h LYS 122 Cb 0.51 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.79 2kmi h LYS 122 CO 0.04 0.00 -0.53 0.22 -2.09 0.00 0.00 179.45 177.09 2kmi h ASP 123 N 0.00 -1.60 0.53 7.07 1.82 -1.39 0.21 116.42 123.06 2kmi h ASP 123 Ca 0.40 0.17 -0.11 0.00 -0.39 0.00 0.00 57.03 57.11 2kmi h ASP 123 Cb 1.66 0.60 -0.02 0.00 0.68 0.00 0.00 39.33 42.25 2kmi h ASP 123 CO -0.00 -0.54 -0.52 -0.26 -1.61 0.00 0.00 179.24 176.30 2kmi h PHE 124 N -0.72 0.00 0.95 0.28 -1.00 -1.49 -2.88 116.94 112.08 2kmi h PHE 124 Ca -0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 2kmi h PHE 124 Cb 0.74 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.31 2kmi h PHE 124 CO -0.48 0.52 -0.46 1.25 -1.61 0.00 0.00 178.31 177.54 2kmi h LEU 125 N 0.00 -1.08 -2.02 1.54 5.85 -0.66 -2.77 115.31 116.17 2kmi h LEU 125 Ca -0.01 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2kmi h LEU 125 Cb 0.93 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 2kmi h LEU 125 CO 0.07 -0.75 0.15 1.62 -0.34 0.00 0.00 178.44 179.19 2kmi h VAL 126 N -1.31 0.86 -0.83 1.05 3.04 -0.66 -1.29 116.25 117.11 2kmi h VAL 126 Ca -0.13 0.00 0.24 0.00 -1.01 0.00 0.00 66.70 65.80 2kmi h VAL 126 Cb 0.98 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 31.11 2kmi h VAL 126 CO 0.21 0.00 0.60 0.77 -1.01 0.00 0.00 177.57 178.14 2kmi h SER 127 N 0.00 0.01 -0.65 3.17 4.64 -1.26 0.73 113.55 120.19 2kmi h SER 127 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2kmi h SER 127 Cb 0.40 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 2kmi h SER 127 CO -0.00 0.00 0.40 -0.61 -0.87 0.00 0.00 176.83 175.75 2kmi h GLN 128 N 0.01 0.88 -2.04 4.77 5.75 -1.26 -3.46 115.11 119.76 2kmi h GLN 128 Ca 0.40 -0.08 -0.35 0.00 -0.15 0.00 0.00 58.65 58.47 2kmi h GLN 128 Cb 1.57 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 29.89 2kmi h GLN 128 CO -0.01 0.63 -0.41 -3.47 -2.65 0.00 0.00 178.83 172.92 2kmi n ASP 129 N -4.58 -5.08 -2.67 -0.69 -0.08 0.25 -4.87 116.55 98.82 2kmi n ASP 129 Ca 0.05 0.10 -0.04 0.00 -1.51 0.00 0.00 54.79 53.38 2kmi n ASP 129 Cb 0.05 -4.15 0.06 0.00 2.34 0.00 0.00 41.12 39.42 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kmi n ARG 130 N -2.62 0.16 -3.74 -0.67 0.63 -0.29 -4.66 116.66 105.47 2kmi n ARG 130 Ca -0.20 -0.80 -0.13 0.00 -0.92 0.00 0.00 57.85 55.80 2kmi n ARG 130 Cb 0.63 -0.23 -0.09 0.00 0.45 0.00 0.00 32.46 33.22 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 -0.56 0.65 0.01 0.00 0.00 -1.26 -0.13 121.76 120.47 2kmi s ALA 132 Ca -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2kmi s ALA 132 Cb -0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 2kmi s ALA 132 CO 0.03 -1.25 -0.03 -1.21 0.00 0.00 0.00 175.76 173.29 2kmi s GLU 133 N 2.04 0.26 -0.01 0.00 2.02 0.91 -4.24 118.70 119.68 2kmi s GLU 133 Ca 0.02 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.65 2kmi s GLU 133 Cb -0.16 -0.07 0.01 0.00 0.10 0.00 0.00 34.13 34.01 2kmi s GLU 133 CO -0.13 0.01 0.00 0.54 0.02 0.00 0.00 175.26 175.70 2kmi s VAL 134 N -0.76 0.06 -0.04 2.63 0.11 -1.25 -1.74 120.40 119.41 2kmi s VAL 134 Ca -0.07 0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 59.03 2kmi s VAL 134 Cb -0.06 -0.12 0.03 0.00 -1.53 0.00 0.00 36.38 34.70 2kmi s VAL 134 CO -0.00 0.07 0.01 0.42 -3.33 0.00 0.00 175.10 172.27 2kmi s THR 135 N 0.51 0.15 0.01 5.04 -4.23 -0.56 -4.38 115.64 112.18 2kmi s THR 135 Ca -0.05 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 2kmi s THR 135 Cb -0.07 -0.30 -0.00 0.00 1.34 0.00 0.00 72.50 73.47 2kmi s THR 135 CO -0.01 0.17 0.09 -1.48 -0.54 0.00 0.00 174.62 172.85 2kmi s LEU 136 N 1.44 1.74 0.17 4.79 0.05 -1.26 -3.44 118.68 122.17 2kmi s LEU 136 Ca -0.04 -0.30 -0.14 0.00 0.05 0.00 0.00 54.13 53.71 2kmi s LEU 136 Cb -0.13 0.52 -0.07 0.00 -2.05 0.00 0.00 46.19 44.46 2kmi s LEU 136 CO -0.03 -0.36 0.57 -0.70 -0.55 0.00 0.00 176.35 175.28 2kmi s GLU 137 N -1.45 3.97 -0.06 1.48 2.12 -1.26 -4.85 118.70 118.65 2kmi s GLU 137 Ca -0.15 0.48 0.11 0.00 0.36 0.00 0.00 54.97 55.78 2kmi s GLU 137 Cb -0.08 -2.85 0.21 0.00 0.26 0.00 0.00 34.13 31.67 2kmi s GLU 137 CO 0.01 0.43 1.10 0.41 -0.54 0.00 0.00 175.26 176.67 2kmi n GLY 138 N 0.58 2.31 3.60 -1.50 0.00 -1.26 -4.66 105.19 104.25 2kmi n GLY 138 Ca -0.04 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.14 0.90 1.55 1.61 -0.44 -1.26 -5.05 119.66 115.82 2kmi s GLN 139 Ca 0.20 0.80 0.00 0.00 -2.50 0.00 0.00 55.36 53.86 2kmi s GLN 139 Cb 0.20 0.43 0.00 0.00 -1.64 0.00 0.00 33.01 32.00 2kmi s GLN 139 CO -0.03 -0.16 0.00 -0.12 0.50 0.00 0.00 175.29 175.47 2kmi n MET 140 N 2.22 0.00 -4.21 1.67 1.56 -1.26 -4.60 117.12 112.49 2kmi n MET 140 Ca -0.15 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 56.99 2kmi n MET 140 Cb 0.56 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.83 2kmi n MET 140 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 2kmi s TYR 141 N 0.00 2.79 -0.00 1.12 1.51 -1.26 -4.28 117.35 117.23 2kmi s TYR 141 Ca 0.00 -0.14 -0.24 0.00 -1.01 0.00 0.00 57.07 55.68 2kmi s TYR 141 Cb 0.00 -1.43 -0.18 0.00 -0.11 0.00 0.00 41.96 40.24 2kmi s TYR 141 CO 0.00 0.46 1.29 -1.00 -1.11 0.00 0.00 175.55 175.19 2kmi h PRO 142 N 3.37 0.11 0.00 -1.71 0.13 -1.83 -3.39 132.00 128.69 2kmi h PRO 142 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kmi h PRO 142 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kmi h PRO 142 CO 0.54 0.57 0.00 0.41 -0.23 0.00 0.00 178.00 179.29 2kmi n GLY 143 N 0.22 0.20 3.50 1.56 0.00 -1.21 -3.86 105.19 105.59 2kmi n GLY 143 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 0.78 -0.53 1.61 0.00 -1.26 -4.30 118.16 114.45 2kmi n LYS 144 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.41 2kmi n LYS 144 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 35.03 32.45 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81