#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 -0.11 2.89 4.76 -1.26 -4.95 118.16 119.49 2kmi n LYS 2 Ca 0.00 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 2kmi n LYS 2 Cb 0.00 0.00 0.37 0.00 -1.84 0.00 0.00 35.03 33.56 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 0.68 -2.06 1.97 6.56 -2.04 -2.66 116.57 119.02 2kmi h LYS 3 Ca 0.00 -0.04 -0.77 0.00 -1.06 0.00 0.00 60.65 58.78 2kmi h LYS 3 Cb 0.00 -0.15 -0.28 0.00 -0.57 0.00 0.00 32.23 31.22 2kmi h LYS 3 CO 0.00 0.45 0.89 0.36 -2.06 0.00 0.00 179.45 179.09 2kmi n LYS 4 N -4.46 3.67 -1.53 3.15 2.85 -1.26 -3.46 118.16 117.12 2kmi n LYS 4 Ca 0.07 -3.99 -0.40 0.00 -1.05 0.00 0.00 58.31 52.94 2kmi n LYS 4 Cb 0.13 -2.33 -0.02 0.00 -0.65 0.00 0.00 35.03 32.16 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 -0.37 7.64 -5.02 -5.58 2.03 -1.00 -4.28 116.55 109.96 2kmi n ASP 5 Ca 0.50 -2.73 -0.18 0.00 0.52 0.00 0.00 54.79 52.90 2kmi n ASP 5 Cb 0.27 -1.54 0.04 0.00 -0.72 0.00 0.00 41.12 39.17 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 1.79 2.54 -0.68 5.18 -4.36 -1.26 -4.57 121.20 119.83 2kmi s ILE 6 Ca 0.62 -0.99 -0.02 0.00 -0.26 0.00 0.00 60.65 60.00 2kmi s ILE 6 Cb 0.17 -2.55 0.41 0.00 1.25 0.00 0.00 42.46 41.74 2kmi s ILE 6 CO -0.07 0.00 2.05 0.54 0.24 0.00 0.00 174.94 177.70 2kmi n ARG 7 N -2.07 2.65 -2.48 0.37 5.12 -1.26 -4.81 116.66 114.18 2kmi n ARG 7 Ca 0.12 -3.22 -0.18 0.00 -1.93 0.00 0.00 57.85 52.64 2kmi n ARG 7 Cb 0.60 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.66 2kmi n ARG 7 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2kmi n ASP 8 N -0.74 -5.24 -2.65 0.55 8.00 -1.26 -4.09 116.55 111.13 2kmi n ASP 8 Ca 0.59 -0.08 -0.03 0.00 0.71 0.00 0.00 54.79 55.99 2kmi n ASP 8 Cb 0.56 -4.25 -0.02 0.00 -0.02 0.00 0.00 41.12 37.39 2kmi n ASP 8 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kmi n TYR 9 N -4.10 -4.20 0.04 1.24 4.01 -1.26 -5.00 117.16 107.89 2kmi n TYR 9 Ca -0.18 2.13 0.00 0.00 -0.16 0.00 0.00 57.90 59.69 2kmi n TYR 9 Cb 0.64 -3.96 0.00 0.00 -0.31 0.00 0.00 39.34 35.71 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kmi n ASN 10 N 1.13 -0.69 -2.78 7.72 5.15 -1.26 -5.00 115.26 119.54 2kmi n ASN 10 Ca -0.19 0.23 -0.03 0.00 -0.60 0.00 0.00 54.58 54.00 2kmi n ASN 10 Cb 0.29 0.88 0.05 0.00 -0.53 0.00 0.00 39.78 40.47 2kmi n ASN 10 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2kmi n ASP 11 N -2.38 1.29 -0.03 1.20 -0.08 -1.26 -4.90 116.55 110.38 2kmi n ASP 11 Ca 0.00 -2.24 -0.07 0.00 -1.51 0.00 0.00 54.79 50.97 2kmi n ASP 11 Cb 0.00 -0.40 0.11 0.00 2.34 0.00 0.00 41.12 43.17 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 2.62 0.88 -0.90 -1.67 0.00 -1.95 -2.94 119.26 115.31 2kmi h ALA 12 Ca -0.15 -0.41 0.20 0.00 0.00 0.00 0.00 54.91 54.55 2kmi h ALA 12 Cb 1.25 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2kmi h ALA 12 CO 0.25 0.63 0.59 -0.44 0.00 0.00 0.00 179.25 180.28 2kmi h ASP 13 N 0.53 0.41 -0.99 0.00 3.32 -1.90 0.32 116.42 118.10 2kmi h ASP 13 Ca 0.06 0.04 0.18 0.00 0.02 0.00 0.00 57.03 57.33 2kmi h ASP 13 Cb 0.83 -0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.25 2kmi h ASP 13 CO 0.07 0.17 0.61 -0.03 -1.72 0.00 0.00 179.24 178.34 2kmi h MET 14 N 0.41 0.73 -0.87 3.56 4.05 -1.78 0.18 114.93 121.21 2kmi h MET 14 Ca 0.47 -0.04 0.25 0.00 -0.28 0.00 0.00 59.70 60.09 2kmi h MET 14 Cb 1.15 -0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 2kmi h MET 14 CO -0.18 0.48 0.62 0.00 0.23 0.00 0.00 176.91 178.07 2kmi h ALA 15 N 1.63 2.82 -0.56 0.39 0.00 -1.10 0.22 119.26 122.65 2kmi h ALA 15 Ca 0.55 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.47 2kmi h ALA 15 Cb 0.88 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2kmi h ALA 15 CO -0.34 -1.06 0.37 -0.09 0.00 0.00 0.00 179.25 178.13 2kmi h ARG 16 N 0.00 0.59 0.00 0.00 2.43 -0.78 -0.33 114.38 116.29 2kmi h ARG 16 Ca 0.41 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 2kmi h ARG 16 Cb 1.65 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 31.06 2kmi h ARG 16 CO -0.01 0.39 -0.21 1.37 -1.51 0.00 0.00 179.97 180.00 2kmi h LEU 17 N 0.61 0.00 -2.00 3.80 8.10 -0.69 -2.66 115.31 122.46 2kmi h LEU 17 Ca 0.23 0.00 0.23 0.00 0.11 0.00 0.00 57.88 58.45 2kmi h LEU 17 Cb 0.15 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.34 2kmi h LEU 17 CO -0.06 0.21 0.58 0.25 -4.11 0.00 0.00 178.44 175.31 2kmi h LEU 18 N 0.00 0.00 -1.99 0.17 7.12 -1.11 0.13 115.31 119.63 2kmi h LEU 18 Ca -0.00 0.00 0.23 0.00 0.13 0.00 0.00 57.88 58.24 2kmi h LEU 18 Cb 0.47 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.57 2kmi h LEU 18 CO 0.03 0.00 0.58 -0.08 -0.13 0.00 0.00 178.44 178.84 2kmi h GLU 19 N 0.00 0.01 -0.31 1.25 4.81 -1.61 0.24 114.58 118.96 2kmi h GLU 19 Ca 0.38 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.70 2kmi h GLU 19 Cb 1.54 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 2kmi h GLU 19 CO -0.00 0.00 0.31 0.37 -0.73 0.00 0.00 179.01 178.96 2kmi h GLN 20 N 0.01 0.00 -0.98 1.92 -0.00 -0.85 -1.03 115.11 114.19 2kmi h GLN 20 Ca 0.38 0.00 0.18 0.00 -0.00 0.00 0.00 58.65 59.22 2kmi h GLN 20 Cb 1.53 0.00 -0.09 0.00 0.00 0.00 0.00 27.48 28.92 2kmi h GLN 20 CO -0.01 0.00 0.61 2.35 0.00 0.00 0.00 178.83 181.79 2kmi h TRP 21 N 0.00 0.93 0.27 3.99 7.01 -0.72 -2.67 115.95 124.77 2kmi h TRP 21 Ca 0.15 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2kmi h TRP 21 Cb 0.77 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2kmi h TRP 21 CO 0.00 0.24 -0.13 1.49 -2.79 0.00 0.00 178.44 177.25 2kmi h GLU 22 N 0.70 -0.35 -2.42 2.65 4.57 -1.38 -3.47 114.58 114.89 2kmi h GLU 22 Ca 0.54 0.02 -0.34 0.00 -1.18 0.00 0.00 59.36 58.40 2kmi h GLU 22 Cb 0.92 0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 29.52 2kmi h GLU 22 CO -0.31 -0.11 -0.37 1.17 -1.18 0.00 0.00 179.01 178.21 2kmi n LYS 23 N -5.01 -1.69 0.19 1.92 4.81 -1.01 -4.82 118.16 112.55 2kmi n LYS 23 Ca -0.06 0.89 0.06 0.00 -0.87 0.00 0.00 58.31 58.33 2kmi n LYS 23 Cb 0.20 -5.37 0.34 0.00 0.02 0.00 0.00 35.03 30.21 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 -5.71 3.14 3.58 -1.84 -3.48 116.42 112.12 2kmi h ASP 24 Ca -0.37 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 56.73 2kmi h ASP 24 Cb 1.20 0.00 0.16 0.00 1.72 0.00 0.00 39.33 42.41 2kmi h ASP 24 CO 0.48 0.36 -0.75 0.47 -2.88 0.00 0.00 179.24 176.92 2kmi n ASP 25 N -3.49 -2.98 0.27 2.28 8.00 -1.26 -4.87 116.55 114.49 2kmi n ASP 25 Ca -0.00 -0.61 0.12 0.00 0.71 0.00 0.00 54.79 55.01 2kmi n ASP 25 Cb 0.51 -5.08 0.76 0.00 -0.02 0.00 0.00 41.12 37.29 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2kmi h ASP 26 N -2.08 0.00 -3.19 -2.24 3.58 -1.74 -3.42 116.42 107.34 2kmi h ASP 26 Ca -0.59 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.21 2kmi h ASP 26 Cb 1.35 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.29 2kmi h ASP 26 CO 0.52 0.07 -0.60 -0.63 -2.88 0.00 0.00 179.24 175.72 2kmi s ILE 27 N -4.52 4.53 -0.11 2.25 -1.09 -1.26 -5.02 121.20 115.98 2kmi s ILE 27 Ca -0.04 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 2kmi s ILE 27 Cb 0.15 -3.07 -0.24 0.00 -1.58 0.00 0.00 42.46 37.71 2kmi s ILE 27 CO 0.60 0.33 0.40 -1.84 -1.23 0.00 0.00 174.94 173.20 2kmi n GLU 28 N 1.14 0.70 -3.51 2.79 0.28 -1.26 -5.00 120.64 115.77 2kmi n GLU 28 Ca -0.13 0.25 -0.14 0.00 -0.16 0.00 0.00 57.16 56.97 2kmi n GLU 28 Cb 0.53 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.64 2kmi n GLU 28 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2kmi s GLU 29 N -2.57 1.12 0.00 3.44 -1.05 -1.26 -5.06 118.70 113.32 2kmi s GLU 29 Ca -0.16 -0.18 0.02 0.00 -0.15 0.00 0.00 54.97 54.50 2kmi s GLU 29 Cb 0.07 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 2kmi s GLU 29 CO 0.78 -0.42 0.73 0.41 0.95 0.00 0.00 175.26 177.72 2kmi n GLY 30 N 0.30 0.81 3.79 -3.83 0.00 -1.26 -4.73 105.19 100.27 2kmi n GLY 30 Ca -0.18 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2kmi n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kmi s ASP 31 N -0.51 6.98 0.28 1.61 -1.08 -1.26 -3.72 116.67 118.97 2kmi s ASP 31 Ca 0.02 1.16 0.10 0.00 -0.52 0.00 0.00 52.55 53.31 2kmi s ASP 31 Cb 0.02 -2.34 -0.05 0.00 -1.46 0.00 0.00 42.92 39.09 2kmi s ASP 31 CO -0.01 0.20 -0.07 -0.76 0.52 0.00 0.00 175.17 175.05 2kmi s LEU 32 N -0.64 2.96 -0.56 -1.34 1.02 -1.26 -5.02 118.68 113.85 2kmi s LEU 32 Ca 0.29 -0.82 -0.27 0.00 0.02 0.00 0.00 54.13 53.35 2kmi s LEU 32 Cb -0.18 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.55 2kmi s LEU 32 CO 0.17 -0.02 1.83 -2.16 0.02 0.00 0.00 176.35 176.19 2kmi s PRO 33 N -3.63 2.79 -0.23 1.29 0.04 -1.26 -4.97 135.00 129.04 2kmi s PRO 33 Ca 0.31 0.76 -0.18 0.00 0.04 0.00 0.00 61.00 61.93 2kmi s PRO 33 Cb -0.05 -4.34 -0.03 0.00 0.04 0.00 0.00 34.50 30.12 2kmi s PRO 33 CO 0.18 -2.53 0.51 -1.83 0.04 0.00 0.00 177.00 173.37 2kmi s GLU 34 N 6.71 4.14 0.29 4.56 -1.05 -1.26 -5.06 118.70 127.02 2kmi s GLU 34 Ca 0.69 0.37 0.08 0.00 -0.15 0.00 0.00 54.97 55.95 2kmi s GLU 34 Cb -0.14 -3.60 -0.06 0.00 -0.44 0.00 0.00 34.13 29.89 2kmi s GLU 34 CO 0.23 -0.24 -0.08 -1.58 0.95 0.00 0.00 175.26 174.55 2kmi s HIS 35 N 1.92 2.06 0.15 4.83 2.46 -1.26 -5.11 115.29 120.34 2kmi s HIS 35 Ca 0.23 -0.62 -0.31 0.00 0.47 0.00 0.00 55.06 54.82 2kmi s HIS 35 Cb -0.15 -1.15 -0.09 0.00 -0.13 0.00 0.00 32.58 31.06 2kmi s HIS 35 CO 0.09 0.38 1.48 -1.59 -2.47 0.00 0.00 174.74 172.63 2kmi s LYS 36 N -3.68 4.27 0.29 2.88 -2.85 -1.26 -4.98 119.74 114.40 2kmi s LYS 36 Ca 0.30 2.22 0.11 0.00 -1.00 0.00 0.00 55.97 57.60 2kmi s LYS 36 Cb 0.03 -3.19 -0.05 0.00 -2.06 0.00 0.00 37.83 32.55 2kmi s LYS 36 CO 0.13 -0.51 -0.16 1.03 0.10 0.00 0.00 175.35 175.93 2kmi s ARG 37 N 1.02 1.78 0.29 1.78 3.00 -1.26 -5.10 118.95 120.45 2kmi s ARG 37 Ca 0.67 -1.74 -0.29 0.00 0.00 0.00 0.00 55.73 54.37 2kmi s ARG 37 Cb -0.40 -1.82 -0.10 0.00 0.00 0.00 0.00 34.95 32.63 2kmi s ARG 37 CO 0.31 0.31 1.24 -1.25 0.00 0.00 0.00 175.30 175.92 2kmi s PRO 38 N -3.54 4.45 0.13 3.54 0.04 -1.26 -4.72 135.00 133.63 2kmi s PRO 38 Ca 0.31 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2kmi s PRO 38 Cb -0.04 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 2kmi s PRO 38 CO 0.16 -0.08 0.18 0.45 0.04 0.00 0.00 177.00 177.75 2kmi s SER 39 N -0.45 5.90 -0.26 6.66 0.15 -1.26 -5.06 113.70 119.38 2kmi s SER 39 Ca 0.49 0.05 -0.38 0.00 0.70 0.00 0.00 55.95 56.81 2kmi s SER 39 Cb -0.37 -1.67 0.15 0.00 -1.71 0.00 0.00 66.02 62.42 2kmi s SER 39 CO 0.46 0.10 1.34 0.00 1.20 0.00 0.00 173.24 176.35 2kmi s ALA 40 N -1.64 -2.18 -0.12 5.45 0.00 -1.26 -5.09 121.76 116.92 2kmi s ALA 40 Ca 0.32 1.81 -0.29 0.00 0.00 0.00 0.00 51.96 53.80 2kmi s ALA 40 Cb -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2kmi s ALA 40 CO 0.25 -0.57 1.54 -1.25 0.00 0.00 0.00 175.76 175.73 2kmi s PRO 41 N -2.13 4.11 -0.15 0.00 0.04 -1.26 -4.77 135.00 130.84 2kmi s PRO 41 Ca 0.11 1.93 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2kmi s PRO 41 Cb -0.01 -3.94 0.02 0.00 0.04 0.00 0.00 34.50 30.61 2kmi s PRO 41 CO -0.03 -0.91 -0.16 -1.50 0.04 0.00 0.00 177.00 174.44 2kmi s ILE 42 N 4.16 1.69 -0.24 0.56 1.10 -1.26 -5.10 121.20 122.12 2kmi s ILE 42 Ca 0.68 -0.72 -0.00 0.00 -0.51 0.00 0.00 60.65 60.10 2kmi s ILE 42 Cb -0.28 -1.56 0.07 0.00 0.15 0.00 0.00 42.46 40.83 2kmi s ILE 42 CO 0.26 0.48 -0.01 1.51 -2.11 0.00 0.00 174.94 175.06 2kmi s ASP 43 N 1.31 3.69 -0.07 4.50 1.47 -1.21 -3.89 116.67 122.48 2kmi s ASP 43 Ca 0.02 -1.19 0.09 0.00 1.18 0.00 0.00 52.55 52.65 2kmi s ASP 43 Cb -0.13 -1.03 -0.24 0.00 -0.34 0.00 0.00 42.92 41.18 2kmi s ASP 43 CO -0.09 -0.28 0.55 0.33 0.68 0.00 0.00 175.17 176.36 2kmi n PHE 44 N 4.76 0.97 -0.01 2.11 -0.00 0.75 -4.47 117.46 121.57 2kmi n PHE 44 Ca -0.09 0.31 0.02 0.00 -0.00 0.00 0.00 57.45 57.69 2kmi n PHE 44 Cb 0.44 -1.17 -0.04 0.00 -0.00 0.00 0.00 39.48 38.72 2kmi n PHE 44 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2kmi n SER 45 N -3.12 3.93 -2.77 -2.13 2.88 -1.22 -5.00 113.62 106.19 2kmi n SER 45 Ca -0.21 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.32 2kmi n SER 45 Cb 1.06 1.11 0.00 0.00 -0.75 0.00 0.00 64.21 65.63 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kmi n LYS 46 N -1.75 -1.19 -3.76 -1.46 4.81 -1.26 -5.04 118.16 108.51 2kmi n LYS 46 Ca -0.02 1.38 -0.27 0.00 -0.87 0.00 0.00 58.31 58.54 2kmi n LYS 46 Cb 0.21 -5.03 -0.17 0.00 0.02 0.00 0.00 35.03 30.07 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kmi s LEU 47 N -3.52 1.11 0.20 3.14 1.43 -1.26 -5.14 118.68 114.64 2kmi s LEU 47 Ca 0.02 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2kmi s LEU 47 Cb -0.01 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 2kmi s LEU 47 CO 0.62 -0.26 -0.14 1.51 0.23 0.00 0.00 176.35 178.31 2kmi s ASP 48 N 1.85 2.47 0.97 2.29 -4.77 -1.26 -4.76 116.67 113.46 2kmi s ASP 48 Ca 0.01 -1.02 -0.12 0.00 -3.30 0.00 0.00 52.55 48.12 2kmi s ASP 48 Cb -0.16 -0.12 0.17 0.00 -1.09 0.00 0.00 42.92 41.72 2kmi s ASP 48 CO -0.07 -0.19 1.09 -2.16 0.70 0.00 0.00 175.17 174.54 2kmi s PRO 49 N -3.66 0.69 0.10 2.11 0.04 -1.26 -4.97 135.00 128.05 2kmi s PRO 49 Ca 0.22 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 2kmi s PRO 49 Cb -0.00 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 2kmi s PRO 49 CO 0.06 -2.58 1.63 0.78 0.04 0.00 0.00 177.00 176.93 2kmi h GLY 50 N -1.79 -0.64 -2.27 0.56 0.00 -2.08 -3.43 103.07 93.42 2kmi h GLY 50 Ca -0.53 0.34 -0.55 0.00 0.00 0.00 0.00 47.33 46.60 2kmi h GLY 50 CO 0.56 -0.25 -0.50 0.58 0.00 0.00 0.00 176.54 176.93 2kmi n LYS 51 N -5.41 0.01 -1.67 4.80 2.85 -1.26 -4.94 118.16 112.54 2kmi n LYS 51 Ca -0.08 0.05 -0.33 0.00 -1.05 0.00 0.00 58.31 56.90 2kmi n LYS 51 Cb 0.32 -1.83 0.06 0.00 -0.65 0.00 0.00 35.03 32.92 2kmi n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kmi s PRO 52 N -3.19 2.70 0.28 -1.58 0.04 -1.26 -4.96 135.00 127.03 2kmi s PRO 52 Ca 0.61 1.35 0.15 0.00 0.04 0.00 0.00 61.00 63.15 2kmi s PRO 52 Cb -0.28 -1.94 0.21 0.00 0.04 0.00 0.00 34.50 32.53 2kmi s PRO 52 CO 0.63 -1.32 1.51 0.93 0.04 0.00 0.00 177.00 178.79 2kmi h GLU 53 N -0.18 0.00 -0.19 4.56 5.08 -1.92 -3.31 114.58 118.62 2kmi h GLU 53 Ca -0.46 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2kmi h GLU 53 Cb 1.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 2kmi h GLU 53 CO 0.54 0.55 -0.25 1.03 -1.00 0.00 0.00 179.01 179.88 2kmi h SER 54 N 0.00 -0.77 0.13 1.42 0.87 -2.03 0.21 113.55 113.38 2kmi h SER 54 Ca -0.01 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2kmi h SER 54 Cb 1.30 0.35 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2kmi h SER 54 CO 0.07 -0.29 -0.08 0.40 -0.53 0.00 0.00 176.83 176.40 2kmi h ILE 55 N -0.28 0.83 -0.02 2.23 2.04 -1.98 -1.58 117.51 118.75 2kmi h ILE 55 Ca 0.12 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.68 2kmi h ILE 55 Cb 0.46 1.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2kmi h ILE 55 CO -0.35 0.08 0.02 0.25 0.00 0.00 0.00 178.15 178.15 2kmi h LEU 56 N 0.00 0.00 -1.94 1.44 5.85 -1.05 -1.73 115.31 117.89 2kmi h LEU 56 Ca -0.00 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.95 2kmi h LEU 56 Cb 0.17 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2kmi h LEU 56 CO 0.01 0.00 0.58 0.50 -0.34 0.00 0.00 178.44 179.19 2kmi h LYS 57 N 0.00 0.05 -0.41 1.25 3.64 -1.15 0.23 116.57 120.18 2kmi h LYS 57 Ca 0.01 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.51 2kmi h LYS 57 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2kmi h LYS 57 CO -0.00 0.03 0.37 0.00 -2.27 0.00 0.00 179.45 177.58 2kmi h MET 58 N 0.05 0.00 -6.28 1.90 -0.00 -1.52 -3.40 114.93 105.68 2kmi h MET 58 Ca 0.39 0.00 -0.64 0.00 -0.00 0.00 0.00 59.70 59.45 2kmi h MET 58 Cb 1.49 0.00 -0.10 0.00 -0.00 0.00 0.00 31.60 32.99 2kmi h MET 58 CO -0.03 0.00 -0.63 0.99 -0.00 0.00 0.00 176.91 177.24 2kmi s THR 59 N -4.77 4.22 -0.05 -0.10 2.01 0.80 -5.13 115.64 112.62 2kmi s THR 59 Ca -0.05 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 2kmi s THR 59 Cb 0.17 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.66 2kmi s THR 59 CO 0.62 0.10 0.20 -0.54 -0.69 0.00 0.00 174.62 174.31 2kmi s LYS 60 N -2.42 0.35 0.00 4.92 1.02 -1.26 -4.99 119.74 117.36 2kmi s LYS 60 Ca 0.27 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.33 2kmi s LYS 60 Cb -0.12 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2kmi s LYS 60 CO 0.20 -0.07 0.00 1.17 -0.92 0.00 0.00 175.35 175.73 2kmi n LYS 61 N 2.40 0.00 -2.81 1.68 3.00 -1.26 -5.06 118.16 116.11 2kmi n LYS 61 Ca -0.16 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.07 2kmi n LYS 61 Cb 0.57 -0.14 0.03 0.00 0.00 0.00 0.00 35.03 35.50 2kmi n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kmi n GLY 62 N 2.96 0.43 3.16 3.14 0.00 -1.26 -4.84 105.19 108.79 2kmi n GLY 62 Ca 0.00 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2kmi n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kmi s LYS 63 N -5.31 0.25 0.62 1.61 2.20 -1.26 -4.22 119.74 113.63 2kmi s LYS 63 Ca 0.17 0.91 -0.02 0.00 -0.36 0.00 0.00 55.97 56.67 2kmi s LYS 63 Cb -0.07 0.18 0.05 0.00 -1.51 0.00 0.00 37.83 36.47 2kmi s LYS 63 CO 0.24 -0.26 0.88 0.95 -0.36 0.00 0.00 175.35 176.80 2kmi s THR 64 N 2.49 2.49 -0.16 3.43 -4.23 -1.24 -4.67 115.64 113.74 2kmi s THR 64 Ca -0.01 -0.50 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2kmi s THR 64 Cb -0.12 -3.00 0.02 0.00 1.34 0.00 0.00 72.50 70.75 2kmi s THR 64 CO -0.11 0.00 -0.16 -0.22 -0.54 0.00 0.00 174.62 173.59 2kmi s LEU 65 N -4.97 1.86 -0.30 4.79 2.96 -1.26 -4.60 118.68 117.16 2kmi s LEU 65 Ca 0.59 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2kmi s LEU 65 Cb -0.10 -1.29 0.17 0.00 0.50 0.00 0.00 46.19 45.46 2kmi s LEU 65 CO 0.41 -0.04 0.80 -0.32 -1.32 0.00 0.00 176.35 175.89 2kmi s MET 66 N 1.41 0.42 -0.17 1.98 1.75 -1.19 -3.33 119.30 120.18 2kmi s MET 66 Ca 0.05 0.90 -0.08 0.00 -1.25 0.00 0.00 55.69 55.31 2kmi s MET 66 Cb -0.13 0.52 0.07 0.00 2.84 0.00 0.00 34.83 38.13 2kmi s MET 66 CO -0.11 -0.31 0.39 -1.64 -0.65 0.00 0.00 175.02 172.69 2kmi s MET 67 N 2.78 0.33 -0.11 4.11 -1.94 -1.18 -0.58 119.30 122.71 2kmi s MET 67 Ca 0.04 0.85 -0.01 0.00 -1.71 0.00 0.00 55.69 54.87 2kmi s MET 67 Cb -0.11 0.09 0.03 0.00 2.01 0.00 0.00 34.83 36.85 2kmi s MET 67 CO -0.18 -0.20 -0.06 -0.06 -0.01 0.00 0.00 175.02 174.51 2kmi s PHE 68 N 1.93 1.39 -0.04 -0.03 0.08 -0.47 -2.34 117.98 118.49 2kmi s PHE 68 Ca -0.06 -0.69 -0.15 0.00 0.12 0.00 0.00 56.93 56.15 2kmi s PHE 68 Cb -0.10 -1.18 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 2kmi s PHE 68 CO -0.12 -0.50 0.33 0.08 -0.10 0.00 0.00 175.22 174.91 2kmi s VAL 69 N 1.74 0.04 -0.42 -0.44 1.01 -0.72 -0.10 120.40 121.52 2kmi s VAL 69 Ca 0.05 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2kmi s VAL 69 Cb -0.13 -0.60 0.18 0.00 0.00 0.00 0.00 36.38 35.83 2kmi s VAL 69 CO -0.08 -0.20 0.60 0.28 0.00 0.00 0.00 175.10 175.70 2kmi s THR 70 N -1.02 -0.87 -0.10 3.92 -1.32 -0.66 -0.08 115.64 115.51 2kmi s THR 70 Ca -0.11 -0.38 -0.32 0.00 -1.21 0.00 0.00 61.69 59.67 2kmi s THR 70 Cb -0.05 -0.13 0.12 0.00 -1.51 0.00 0.00 72.50 70.94 2kmi s THR 70 CO 0.04 -0.12 1.07 0.54 -2.21 0.00 0.00 174.62 173.93 2kmi s VAL 71 N 1.58 0.00 -0.12 5.08 0.11 -1.19 -1.89 120.40 123.98 2kmi s VAL 71 Ca 0.19 -0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 59.00 2kmi s VAL 71 Cb -0.05 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 2kmi s VAL 71 CO -0.06 0.00 0.66 -0.94 -3.33 0.00 0.00 175.10 171.43 2kmi s SER 72 N -2.34 6.86 0.00 3.54 1.04 -1.26 -3.21 113.70 118.34 2kmi s SER 72 Ca 0.08 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.55 2kmi s SER 72 Cb -0.01 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2kmi s SER 72 CO -0.06 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2kmi n GLY 73 N 3.33 -0.39 2.67 7.32 0.00 -1.26 -3.27 105.19 113.60 2kmi n GLY 73 Ca -0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2kmi n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kmi n ASN 74 N 0.00 -1.49 -4.59 1.61 4.05 -1.23 -4.13 115.26 109.48 2kmi n ASN 74 Ca 0.00 -1.59 -0.42 0.00 0.45 0.00 0.00 54.58 53.02 2kmi n ASN 74 Cb 0.00 0.80 -0.03 0.00 1.23 0.00 0.00 39.78 41.79 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2kmi s PRO 75 N 0.48 3.22 -0.39 1.20 0.04 -1.26 -3.85 135.00 134.44 2kmi s PRO 75 Ca 0.26 1.15 0.10 0.00 0.04 0.00 0.00 61.00 62.55 2kmi s PRO 75 Cb 0.17 -4.21 0.40 0.00 0.04 0.00 0.00 34.50 30.90 2kmi s PRO 75 CO -0.10 -2.00 1.39 2.41 0.04 0.00 0.00 177.00 178.74 2kmi n THR 76 N 7.31 0.02 0.22 1.26 -1.04 -1.26 -4.96 114.28 115.82 2kmi n THR 76 Ca 0.21 -1.43 0.18 0.00 -2.04 0.00 0.00 64.05 60.97 2kmi n THR 76 Cb 0.48 1.00 0.85 0.00 -1.82 0.00 0.00 70.33 70.84 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 1.82 0.00 -0.06 -2.82 4.11 -1.86 -1.39 114.58 114.38 2kmi h GLU 77 Ca -0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.09 2kmi h GLU 77 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kmi h GLU 77 CO -0.08 0.00 -0.07 0.87 0.07 0.00 0.00 179.01 179.80 2kmi h LYS 78 N 0.00 0.15 -0.48 1.06 6.56 -1.99 -2.95 116.57 118.92 2kmi h LYS 78 Ca 0.08 -0.08 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 2kmi h LYS 78 Cb 0.50 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 2kmi h LYS 78 CO -0.00 0.61 -0.08 1.49 -2.06 0.00 0.00 179.45 179.41 2kmi h GLU 79 N -0.30 0.85 -0.60 3.15 4.57 -1.70 -3.00 114.58 117.55 2kmi h GLU 79 Ca 0.01 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 57.98 2kmi h GLU 79 Cb 0.58 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.04 2kmi h GLU 79 CO 0.02 0.90 0.28 1.79 -1.18 0.00 0.00 179.01 180.82 2kmi h THR 80 N 0.78 0.88 -0.43 0.32 1.35 -1.33 -2.14 112.91 112.35 2kmi h THR 80 Ca 0.13 -0.18 0.03 0.00 -0.55 0.00 0.00 66.41 65.84 2kmi h THR 80 Cb 0.58 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 2kmi h THR 80 CO 0.04 0.09 0.23 -0.08 -0.25 0.00 0.00 175.52 175.55 2kmi h GLU 81 N 0.52 0.46 -0.45 4.72 4.81 -1.38 -1.17 114.58 122.09 2kmi h GLU 81 Ca 0.28 -0.03 0.13 0.00 -0.13 0.00 0.00 59.36 59.62 2kmi h GLU 81 Cb 0.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2kmi h GLU 81 CO -0.23 0.30 0.44 0.93 -0.73 0.00 0.00 179.01 179.72 2kmi h GLU 82 N 0.47 0.00 -0.91 1.92 5.08 -1.33 0.54 114.58 120.36 2kmi h GLU 82 Ca 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2kmi h GLU 82 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2kmi h GLU 82 CO -0.10 0.00 0.56 0.82 -1.00 0.00 0.00 179.01 179.29 2kmi h ILE 83 N 0.00 1.24 -0.95 3.13 2.04 -1.02 -2.05 117.51 119.91 2kmi h ILE 83 Ca 0.21 -0.51 0.25 0.00 1.00 0.00 0.00 64.86 65.81 2kmi h ILE 83 Cb 1.09 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2kmi h ILE 83 CO -0.00 0.25 0.65 0.00 0.00 0.00 0.00 178.15 179.05 2kmi h THR 84 N 1.24 0.58 0.37 -0.27 1.03 -0.97 -0.76 112.91 114.13 2kmi h THR 84 Ca 0.33 -0.08 -0.02 0.00 -0.01 0.00 0.00 66.41 66.63 2kmi h THR 84 Cb -0.08 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.33 2kmi h THR 84 CO -0.06 0.04 -0.18 -1.28 -0.01 0.00 0.00 175.52 174.03 2kmi h SER 85 N 0.23 -0.42 -0.52 0.00 0.87 -1.50 -3.17 113.55 109.04 2kmi h SER 85 Ca 0.49 -0.10 0.15 0.00 -1.23 0.00 0.00 61.79 61.10 2kmi h SER 85 Cb 1.51 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 2kmi h SER 85 CO -0.13 0.03 0.44 -0.07 -0.53 0.00 0.00 176.83 176.57 2kmi h LEU 86 N -1.03 0.00 -0.59 2.23 3.38 -1.34 -1.25 115.31 116.70 2kmi h LEU 86 Ca -0.05 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.03 2kmi h LEU 86 Cb 0.50 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 2kmi h LEU 86 CO 0.08 0.00 0.12 -0.25 0.09 0.00 0.00 178.44 178.48 2kmi h TRP 87 N 0.00 0.19 -0.91 1.13 2.91 -1.13 0.68 115.95 118.82 2kmi h TRP 87 Ca 0.25 0.04 0.21 0.00 1.13 0.00 0.00 58.89 60.51 2kmi h TRP 87 Cb 1.13 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 29.72 2kmi h TRP 87 CO 0.00 -0.04 0.60 0.37 -1.03 0.00 0.00 178.44 178.35 2kmi h GLN 88 N 0.25 0.38 0.60 2.65 4.15 -1.33 -2.04 115.11 119.77 2kmi h GLN 88 Ca 0.31 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 2kmi h GLN 88 Cb 0.46 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.07 2kmi h GLN 88 CO -0.40 0.25 -0.29 0.78 -1.93 0.00 0.00 178.83 177.25 2kmi h GLY 89 N 0.40 -0.84 0.63 2.39 0.00 -0.99 -2.53 103.07 102.14 2kmi h GLY 89 Ca 0.47 0.31 0.18 0.00 0.00 0.00 0.00 47.33 48.30 2kmi h GLY 89 CO -0.18 -0.30 0.51 0.23 0.00 0.00 0.00 176.54 176.79 2kmi h SER 90 N -0.84 0.00 -0.27 0.19 0.87 -1.31 -2.32 113.55 109.87 2kmi h SER 90 Ca -0.08 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kmi h SER 90 Cb 0.63 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 2kmi h SER 90 CO 0.13 0.00 -0.54 0.25 -0.53 0.00 0.00 176.83 176.15 2kmi h LEU 91 N 0.00 -1.76 -0.95 2.23 6.46 -1.20 0.23 115.31 120.32 2kmi h LEU 91 Ca 0.30 0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 58.17 2kmi h LEU 91 Cb 1.31 0.70 -0.02 0.00 -0.73 0.00 0.00 40.66 41.93 2kmi h LEU 91 CO -0.00 -0.43 -0.52 0.15 -0.62 0.00 0.00 178.44 177.02 2kmi h PHE 92 N -0.48 0.00 0.46 1.25 3.04 -1.53 -3.23 116.94 116.46 2kmi h PHE 92 Ca 0.05 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 2kmi h PHE 92 Cb 0.62 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 2kmi h PHE 92 CO -0.66 0.52 -0.45 -0.97 -2.02 0.00 0.00 178.31 174.73 2kmi h ASN 93 N 0.00 -1.21 0.00 0.41 -1.24 -0.84 -3.41 115.58 109.28 2kmi h ASN 93 Ca -0.01 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.10 2kmi h ASN 93 Cb 0.93 0.40 0.00 0.00 0.73 0.00 0.00 38.32 40.38 2kmi h ASN 93 CO 0.07 -0.61 0.00 0.00 -1.29 0.00 0.00 177.43 175.60 2kmi n ALA 94 N -2.75 2.23 0.00 1.57 0.00 -0.08 -0.18 120.51 121.30 2kmi n ALA 94 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2kmi n ALA 94 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.34 0.00 -2.57 0.00 6.94 -1.22 -3.41 115.26 113.66 2kmi n ASN 95 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 2kmi n ASN 95 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2kmi n TYR 96 N 0.00 -3.12 -3.54 -2.53 4.02 -1.25 -4.97 117.16 105.77 2kmi n TYR 96 Ca 0.00 1.32 -0.41 0.00 -0.01 0.00 0.00 57.90 58.80 2kmi n TYR 96 Cb 0.00 -3.64 -0.07 0.00 -0.02 0.00 0.00 39.34 35.62 2kmi n TYR 96 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2kmi s ASP 97 N -1.87 5.88 0.03 7.72 1.01 -1.26 -5.05 116.67 123.14 2kmi s ASP 97 Ca 0.11 -2.55 0.05 0.00 0.71 0.00 0.00 52.55 50.87 2kmi s ASP 97 Cb -0.03 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 2kmi s ASP 97 CO 0.65 -0.53 -0.14 0.68 0.21 0.00 0.00 175.17 176.04 2kmi s VAL 98 N 0.40 1.11 -0.02 -1.27 -7.23 -1.26 -2.05 120.40 110.07 2kmi s VAL 98 Ca 0.14 -0.97 0.04 0.00 -1.81 0.00 0.00 61.98 59.38 2kmi s VAL 98 Cb -0.19 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 2kmi s VAL 98 CO -0.04 0.03 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.55 2kmi s GLN 99 N -1.07 1.16 -0.02 4.82 1.11 0.86 -4.96 119.66 121.57 2kmi s GLN 99 Ca 0.02 -0.45 0.03 0.00 0.01 0.00 0.00 55.36 54.97 2kmi s GLN 99 Cb -0.08 -1.09 -0.00 0.00 -1.01 0.00 0.00 33.01 30.83 2kmi s GLN 99 CO 0.01 0.23 -0.12 0.50 0.01 0.00 0.00 175.29 175.92 2kmi s ARG 100 N -0.12 1.20 -0.17 2.91 3.52 -1.22 -2.48 118.95 122.59 2kmi s ARG 100 Ca 0.01 -0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.12 2kmi s ARG 100 Cb -0.07 -1.11 0.08 0.00 -1.56 0.00 0.00 34.95 32.29 2kmi s ARG 100 CO 0.00 0.20 0.35 0.12 -0.81 0.00 0.00 175.30 175.17 2kmi s PHE 101 N -0.01 -0.64 -0.11 5.12 5.36 -1.14 -3.45 117.98 123.10 2kmi s PHE 101 Ca -0.01 1.30 -0.01 0.00 -0.96 0.00 0.00 56.93 57.26 2kmi s PHE 101 Cb -0.08 0.16 0.03 0.00 -0.34 0.00 0.00 43.02 42.79 2kmi s PHE 101 CO 0.01 -0.43 -0.06 0.42 -1.46 0.00 0.00 175.22 173.69 2kmi s ILE 102 N 2.53 0.94 -0.14 3.12 1.09 -1.26 -1.87 121.20 125.61 2kmi s ILE 102 Ca -0.00 -0.26 -0.13 0.00 -1.10 0.00 0.00 60.65 59.16 2kmi s ILE 102 Cb -0.12 -1.00 0.04 0.00 -1.06 0.00 0.00 42.46 40.32 2kmi s ILE 102 CO -0.11 0.33 0.38 0.68 -0.10 0.00 0.00 174.94 176.11 2kmi s VAL 103 N 1.74 -0.00 0.00 2.92 -7.23 -1.18 -5.06 120.40 111.58 2kmi s VAL 103 Ca 0.05 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.23 2kmi s VAL 103 Cb -0.13 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.28 2kmi s VAL 103 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 2kmi n GLY 104 N 3.03 1.15 0.98 2.32 0.00 -1.26 -3.13 105.19 108.29 2kmi n GLY 104 Ca -0.14 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.27 2kmi n GLY 104 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kmi n SER 105 N 0.84 2.93 -4.27 1.61 7.64 -1.26 -4.90 113.62 116.22 2kmi n SER 105 Ca 0.00 -1.92 -0.27 0.00 1.01 0.00 0.00 58.87 57.69 2kmi n SER 105 Cb 0.00 -0.22 -0.15 0.00 -1.01 0.00 0.00 64.21 62.83 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 -1.46 2.62 -0.03 6.43 -4.77 -1.18 -4.42 116.67 113.84 2kmi s ASP 106 Ca 0.37 -0.51 0.05 0.00 -3.30 0.00 0.00 52.55 49.16 2kmi s ASP 106 Cb 0.21 -0.24 -0.01 0.00 -1.09 0.00 0.00 42.92 41.80 2kmi s ASP 106 CO 0.30 0.20 -0.18 -0.60 0.70 0.00 0.00 175.17 175.59 2kmi s ARG 107 N -1.05 1.70 0.06 2.11 3.00 -1.20 -3.13 118.95 120.44 2kmi s ARG 107 Ca 0.08 -0.63 0.09 0.00 -1.00 0.00 0.00 55.73 54.28 2kmi s ARG 107 Cb -0.09 -1.52 -0.03 0.00 0.00 0.00 0.00 34.95 33.31 2kmi s ARG 107 CO 0.01 0.29 -0.26 0.00 0.00 0.00 0.00 175.30 175.35 2kmi s ALA 108 N -0.11 2.30 0.03 6.12 0.00 -0.78 -3.15 121.76 126.17 2kmi s ALA 108 Ca -0.00 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.70 2kmi s ALA 108 Cb -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2kmi s ALA 108 CO 0.01 0.54 -0.11 -1.50 0.00 0.00 0.00 175.76 174.70 2kmi s ILE 109 N -0.85 0.85 -0.12 0.00 2.07 0.88 -2.90 121.20 121.14 2kmi s ILE 109 Ca 0.12 -0.84 -0.04 0.00 -1.41 0.00 0.00 60.65 58.48 2kmi s ILE 109 Cb -0.10 -0.79 0.06 0.00 0.13 0.00 0.00 42.46 41.76 2kmi s ILE 109 CO 0.03 -0.03 0.24 0.12 -1.91 0.00 0.00 174.94 173.39 2kmi s PHE 110 N -0.78 -0.37 0.01 3.50 2.19 -1.04 -1.75 117.98 119.74 2kmi s PHE 110 Ca -0.00 0.89 0.01 0.00 0.33 0.00 0.00 56.93 58.16 2kmi s PHE 110 Cb -0.07 -0.09 -0.01 0.00 -1.31 0.00 0.00 43.02 41.54 2kmi s PHE 110 CO 0.01 -0.34 -0.04 -1.64 1.83 0.00 0.00 175.22 175.03 2kmi s MET 111 N 2.39 0.34 -0.01 10.12 -1.94 -0.99 -0.09 119.30 129.11 2kmi s MET 111 Ca 0.02 -0.26 -0.16 0.00 -1.71 0.00 0.00 55.69 53.58 2kmi s MET 111 Cb -0.12 -0.27 0.03 0.00 2.01 0.00 0.00 34.83 36.48 2kmi s MET 111 CO -0.08 0.07 0.33 -1.17 -0.01 0.00 0.00 175.02 174.16 2kmi s LEU 112 N -0.39 0.77 0.29 -0.03 0.20 -0.87 -3.12 118.68 115.52 2kmi s LEU 112 Ca -0.01 0.11 0.15 0.00 0.69 0.00 0.00 54.13 55.07 2kmi s LEU 112 Cb -0.03 1.34 0.25 0.00 -0.43 0.00 0.00 46.19 47.31 2kmi s LEU 112 CO -0.00 -0.46 1.52 0.08 -0.29 0.00 0.00 176.35 177.20 2kmi h ARG 113 N 3.80 0.00 0.00 1.98 0.11 -1.82 -3.35 114.38 115.10 2kmi h ARG 113 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2kmi h ARG 113 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kmi h ARG 113 CO 0.40 0.53 -0.04 -0.44 0.10 0.00 0.00 179.97 180.52 2kmi h ASP 114 N 0.00 0.00 0.00 0.08 3.32 -1.91 -3.18 116.42 114.73 2kmi h ASP 114 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2kmi h ASP 114 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2kmi h ASP 114 CO 0.07 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.68 2kmi n GLY 115 N 1.78 2.01 0.26 2.75 0.00 -1.26 -4.67 105.19 106.07 2kmi n GLY 115 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.71 0.51 1.61 0.87 -1.96 -0.99 113.55 112.87 2kmi h SER 116 Ca 0.00 0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 2kmi h SER 116 Cb 0.00 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2kmi h SER 116 CO 0.00 -0.26 -0.50 0.22 -0.53 0.00 0.00 176.83 175.76 2kmi h TYR 117 N -0.23 0.00 -0.75 2.24 3.20 -2.01 -3.10 116.97 116.32 2kmi h TYR 117 Ca 0.13 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.11 2kmi h TYR 117 Cb 0.44 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.63 2kmi h TYR 117 CO -0.37 0.50 0.37 0.00 -1.64 0.00 0.00 178.16 177.01 2kmi h ALA 118 N 1.50 1.05 -0.79 1.82 0.00 -1.53 0.48 119.26 121.80 2kmi h ALA 118 Ca -0.01 0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.20 2kmi h ALA 118 Cb 0.89 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2kmi h ALA 118 CO 0.07 -0.07 0.57 2.35 0.00 0.00 0.00 179.25 182.17 2kmi h TRP 119 N 0.59 0.00 0.94 0.00 2.91 -1.36 0.27 115.95 119.31 2kmi h TRP 119 Ca 0.38 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.36 2kmi h TRP 119 Cb 0.45 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.11 2kmi h TRP 119 CO -0.11 0.00 -0.45 1.49 -1.03 0.00 0.00 178.44 178.34 2kmi h GLU 120 N 0.00 -1.22 -0.07 2.65 4.81 -1.06 -2.83 114.58 116.86 2kmi h GLU 120 Ca 0.37 0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.57 2kmi h GLU 120 Cb 1.52 0.28 -0.01 0.00 0.63 0.00 0.00 28.75 31.16 2kmi h GLU 120 CO -0.00 -0.81 -0.48 0.82 -0.73 0.00 0.00 179.01 177.80 2kmi h ILE 121 N -1.34 1.34 -0.97 2.32 5.03 -1.42 -3.04 117.51 119.44 2kmi h ILE 121 Ca -0.13 -1.68 0.19 0.00 -0.12 0.00 0.00 64.86 63.12 2kmi h ILE 121 Cb 0.97 1.82 -0.09 0.00 -3.03 0.00 0.00 36.82 36.49 2kmi h ILE 121 CO 0.21 0.50 0.61 0.50 -0.68 0.00 0.00 178.15 179.29 2kmi h LYS 122 N 0.15 0.65 0.15 2.37 3.11 -0.44 0.23 116.57 122.79 2kmi h LYS 122 Ca 0.01 -0.04 0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2kmi h LYS 122 Cb 0.90 -0.15 -0.04 0.00 -1.00 0.00 0.00 32.23 31.94 2kmi h LYS 122 CO 0.07 0.43 -0.40 0.22 -2.81 0.00 0.00 179.45 176.96 2kmi h ASP 123 N 0.67 -1.17 -0.27 4.20 1.82 -1.37 0.22 116.42 120.52 2kmi h ASP 123 Ca 0.53 0.13 -0.16 0.00 -0.39 0.00 0.00 57.03 57.14 2kmi h ASP 123 Cb 0.95 0.43 -0.01 0.00 0.68 0.00 0.00 39.33 41.39 2kmi h ASP 123 CO -0.30 -0.48 -0.41 -0.26 -1.61 0.00 0.00 179.24 176.18 2kmi h PHE 124 N -0.65 0.98 0.64 0.28 -1.00 -1.51 -0.54 116.94 115.14 2kmi h PHE 124 Ca 0.02 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.47 2kmi h PHE 124 Cb 0.67 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 2kmi h PHE 124 CO -0.34 1.09 -0.51 1.25 -1.61 0.00 0.00 178.31 178.20 2kmi h LEU 125 N 0.66 -1.34 -1.29 1.54 7.12 -0.22 -2.62 115.31 119.16 2kmi h LEU 125 Ca 0.05 0.09 -0.07 0.00 0.13 0.00 0.00 57.88 58.08 2kmi h LEU 125 Cb 0.98 0.42 -0.01 0.00 -0.53 0.00 0.00 40.66 41.52 2kmi h LEU 125 CO 0.09 -0.72 -0.35 1.62 -0.13 0.00 0.00 178.44 178.95 2kmi h VAL 126 N -1.11 1.24 -0.82 1.05 3.04 -0.63 -2.76 116.25 116.25 2kmi h VAL 126 Ca -0.08 -1.22 0.23 0.00 -1.01 0.00 0.00 66.70 64.62 2kmi h VAL 126 Cb 0.93 1.66 -0.04 0.00 -2.01 0.00 0.00 31.29 31.83 2kmi h VAL 126 CO 0.01 0.35 0.59 0.28 -1.01 0.00 0.00 177.57 177.79 2kmi h SER 127 N 0.00 0.03 0.03 3.17 0.02 -0.71 -0.70 113.55 115.38 2kmi h SER 127 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kmi h SER 127 Cb 0.63 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2kmi h SER 127 CO 0.05 0.01 -0.01 1.56 -1.14 0.00 0.00 176.83 177.29 2kmi h GLN 128 N 0.03 -0.04 -1.09 3.45 1.08 -1.32 -3.46 115.11 113.76 2kmi h GLN 128 Ca 0.39 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 57.24 2kmi h GLN 128 Cb 1.53 0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 28.85 2kmi h GLN 128 CO -0.02 0.14 -0.34 -3.47 -0.95 0.00 0.00 178.83 174.19 2kmi n ASP 129 N -5.03 -5.12 -2.67 1.46 -0.08 -0.27 -4.78 116.55 100.06 2kmi n ASP 129 Ca -0.08 0.36 -0.04 0.00 -1.51 0.00 0.00 54.79 53.53 2kmi n ASP 129 Cb 0.12 -4.17 0.09 0.00 2.34 0.00 0.00 41.12 39.50 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 -2.52 0.29 -3.75 -0.67 0.63 -0.79 -4.68 116.66 105.17 2kmi n ARG 130 Ca -0.18 -0.89 -0.13 0.00 -0.92 0.00 0.00 57.85 55.73 2kmi n ARG 130 Cb 0.59 -0.23 -0.09 0.00 0.45 0.00 0.00 32.46 33.18 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 -0.58 2.20 0.01 0.00 0.00 -1.26 -1.65 121.76 120.48 2kmi s ALA 132 Ca -0.07 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.63 2kmi s ALA 132 Cb -0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2kmi s ALA 132 CO 0.03 -0.66 -0.04 -1.21 0.00 0.00 0.00 175.76 173.88 2kmi s GLU 133 N 1.32 0.32 -0.07 0.00 2.02 0.86 -4.21 118.70 118.94 2kmi s GLU 133 Ca 0.00 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.55 2kmi s GLU 133 Cb -0.15 -0.15 0.03 0.00 0.10 0.00 0.00 34.13 33.95 2kmi s GLU 133 CO -0.10 0.03 0.17 0.54 0.02 0.00 0.00 175.26 175.92 2kmi s VAL 134 N -0.75 -0.02 -0.11 2.63 0.11 -1.24 -1.37 120.40 119.65 2kmi s VAL 134 Ca -0.06 0.07 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2kmi s VAL 134 Cb -0.06 -0.26 0.03 0.00 -1.53 0.00 0.00 36.38 34.56 2kmi s VAL 134 CO -0.00 0.03 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.84 2kmi s THR 135 N 0.52 0.99 -0.17 5.04 2.01 0.26 -4.43 115.64 119.85 2kmi s THR 135 Ca -0.04 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 2kmi s THR 135 Cb -0.05 -1.02 0.08 0.00 0.01 0.00 0.00 72.50 71.52 2kmi s THR 135 CO -0.03 0.35 0.36 -1.48 -0.69 0.00 0.00 174.62 173.13 2kmi s LEU 136 N 1.72 -0.52 -0.33 4.42 0.05 -1.26 -3.14 118.68 119.62 2kmi s LEU 136 Ca 0.05 0.84 -0.05 0.00 0.05 0.00 0.00 54.13 55.02 2kmi s LEU 136 Cb -0.13 1.11 0.05 0.00 -2.05 0.00 0.00 46.19 45.17 2kmi s LEU 136 CO -0.08 -0.24 0.08 -1.61 -0.55 0.00 0.00 176.35 173.96 2kmi s GLU 137 N 2.54 2.53 0.28 1.48 0.41 -1.26 -4.95 118.70 119.73 2kmi s GLU 137 Ca -0.00 -1.26 0.23 0.00 -0.41 0.00 0.00 54.97 53.53 2kmi s GLU 137 Cb -0.12 -3.39 0.24 0.00 -1.78 0.00 0.00 34.13 29.07 2kmi s GLU 137 CO -0.11 -0.69 1.35 0.78 -0.49 0.00 0.00 175.26 176.10 2kmi h GLY 138 N 8.15 0.00 -7.20 -1.39 0.00 -1.96 -3.31 103.07 97.36 2kmi h GLY 138 Ca -0.22 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.48 2kmi h GLY 138 CO 0.59 0.00 -0.68 1.20 0.00 0.00 0.00 176.54 177.65 2kmi s GLN 139 N -3.26 1.67 0.00 4.80 -0.21 -1.26 -4.72 119.66 116.67 2kmi s GLN 139 Ca 0.04 -2.35 0.00 0.00 0.02 0.00 0.00 55.36 53.07 2kmi s GLN 139 Cb 0.08 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.22 2kmi s GLN 139 CO 0.72 -1.13 0.54 0.00 -2.12 0.00 0.00 175.29 173.29 2kmi n MET 140 N 3.30 0.00 -1.28 2.91 0.00 -1.26 -4.53 117.12 116.26 2kmi n MET 140 Ca 0.07 -0.51 0.16 0.00 0.00 0.00 0.00 57.70 57.41 2kmi n MET 140 Cb 0.33 0.46 -0.09 0.00 0.00 0.00 0.00 33.22 33.93 2kmi n MET 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2kmi n TYR 141 N 0.00 -3.45 -2.12 3.17 4.02 -1.26 -4.07 117.16 113.45 2kmi n TYR 141 Ca -0.14 1.91 -0.43 0.00 -0.01 0.00 0.00 57.90 59.23 2kmi n TYR 141 Cb 0.48 -3.14 -0.03 0.00 -0.02 0.00 0.00 39.34 36.64 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2kmi s PRO 142 N -4.17 3.80 -0.10 -0.72 0.04 -1.26 -4.24 135.00 128.35 2kmi s PRO 142 Ca 0.00 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 2kmi s PRO 142 Cb 0.00 -4.03 -0.24 0.00 0.04 0.00 0.00 34.50 30.27 2kmi s PRO 142 CO 0.00 -1.29 0.90 0.78 0.04 0.00 0.00 177.00 177.44 2kmi h GLY 143 N 11.67 -0.01 0.22 0.56 0.00 -1.86 -3.27 103.07 110.38 2kmi h GLY 143 Ca -0.34 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.25 2kmi h GLY 143 CO 1.00 -0.00 0.63 0.07 0.00 0.00 0.00 176.54 178.24 2kmi h LYS 144 N -0.85 0.08 0.00 4.80 2.10 -1.86 -3.37 116.57 117.47 2kmi h LYS 144 Ca -0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2kmi h LYS 144 Cb 0.82 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2kmi h LYS 144 CO 0.00 0.05 0.00 0.41 -2.00 0.00 0.00 179.45 177.92