#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 0.14 2.89 0.00 -1.26 -4.88 118.16 115.05 2kmi n LYS 2 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.30 2kmi n LYS 2 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 2kmi n LYS 2 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2kmi h LYS 3 N 0.00 0.00 -0.08 1.64 3.64 -2.04 -3.42 116.57 116.31 2kmi h LYS 3 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2kmi h LYS 3 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 2kmi h LYS 3 CO 0.00 0.61 -0.15 0.36 -2.27 0.00 0.00 179.45 178.00 2kmi n LYS 4 N -3.70 0.24 -1.53 1.90 0.00 -1.26 -4.96 118.16 108.84 2kmi n LYS 4 Ca -0.01 -0.93 -0.29 0.00 -0.00 0.00 0.00 58.31 57.08 2kmi n LYS 4 Cb 0.63 -0.40 -0.06 0.00 -0.00 0.00 0.00 35.03 35.20 2kmi n LYS 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2kmi n ASP 5 N 1.82 6.85 -4.87 -5.58 2.03 -1.26 -4.71 116.55 110.83 2kmi n ASP 5 Ca 0.05 -3.04 -0.31 0.00 0.52 0.00 0.00 54.79 52.02 2kmi n ASP 5 Cb 0.68 -1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 39.75 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 -1.17 4.69 -0.48 5.18 -4.36 -1.26 -4.81 121.20 118.99 2kmi s ILE 6 Ca 0.60 0.86 -0.01 0.00 -0.26 0.00 0.00 60.65 61.83 2kmi s ILE 6 Cb 0.31 -3.82 0.32 0.00 1.25 0.00 0.00 42.46 40.52 2kmi s ILE 6 CO -0.15 -0.94 2.03 0.54 0.24 0.00 0.00 174.94 176.66 2kmi n ARG 7 N -2.27 2.21 -3.74 0.37 5.12 -1.26 -4.82 116.66 112.27 2kmi n ARG 7 Ca 0.05 -2.36 -0.26 0.00 -1.93 0.00 0.00 57.85 53.36 2kmi n ARG 7 Cb 0.54 -1.93 0.05 0.00 -1.16 0.00 0.00 32.46 29.96 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 -0.23 -4.23 -2.69 0.55 8.00 -1.26 -3.99 116.55 112.70 2kmi n ASP 8 Ca 0.45 -0.71 -0.03 0.00 0.71 0.00 0.00 54.79 55.21 2kmi n ASP 8 Cb 0.61 -4.34 -0.03 0.00 -0.02 0.00 0.00 41.12 37.34 2kmi n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmi n TYR 9 N -4.64 -4.00 0.06 1.24 9.36 -1.26 -5.01 117.16 112.90 2kmi n TYR 9 Ca -0.07 2.14 0.00 0.00 3.32 0.00 0.00 57.90 63.29 2kmi n TYR 9 Cb 0.58 -3.74 0.00 0.00 -0.63 0.00 0.00 39.34 35.55 2kmi n TYR 9 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kmi n ASN 10 N 1.41 -1.07 -2.68 2.98 5.15 -1.26 -5.03 115.26 114.77 2kmi n ASN 10 Ca -0.25 0.23 -0.03 0.00 -0.60 0.00 0.00 54.58 53.94 2kmi n ASN 10 Cb 0.41 1.36 0.13 0.00 -0.53 0.00 0.00 39.78 41.14 2kmi n ASN 10 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kmi n ASP 11 N -2.75 -1.43 -0.11 1.20 8.00 -1.26 -4.97 116.55 115.23 2kmi n ASP 11 Ca 0.00 -2.25 -0.14 0.00 0.71 0.00 0.00 54.79 53.12 2kmi n ASP 11 Cb 0.00 0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 2kmi n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmi h ALA 12 N 1.18 0.55 -0.48 2.24 0.00 -1.95 -3.17 119.26 117.63 2kmi h ALA 12 Ca -0.42 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 2kmi h ALA 12 Cb 1.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2kmi h ALA 12 CO -0.16 0.67 -0.22 -0.44 0.00 0.00 0.00 179.25 179.10 2kmi h ASP 13 N 0.74 1.02 -0.35 0.00 3.32 -1.94 -2.79 116.42 116.44 2kmi h ASP 13 Ca 0.05 -0.40 0.10 0.00 0.02 0.00 0.00 57.03 56.80 2kmi h ASP 13 Cb 1.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2kmi h ASP 13 CO 0.10 1.20 0.32 -0.03 -1.72 0.00 0.00 179.24 179.11 2kmi h MET 14 N 0.85 0.00 0.00 3.56 4.05 -1.76 0.17 114.93 121.79 2kmi h MET 14 Ca 0.11 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.52 2kmi h MET 14 Cb 0.81 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 2kmi h MET 14 CO 0.07 0.00 -0.02 0.00 0.23 0.00 0.00 176.91 177.19 2kmi h ALA 15 N 1.69 1.24 -0.56 0.39 0.00 -1.48 -2.11 119.26 118.43 2kmi h ALA 15 Ca 0.17 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2kmi h ALA 15 Cb 0.80 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2kmi h ALA 15 CO -0.00 0.02 0.46 -0.09 0.00 0.00 0.00 179.25 179.64 2kmi h ARG 16 N 0.00 0.00 -0.43 0.00 2.43 -0.82 0.10 114.38 115.66 2kmi h ARG 16 Ca -0.00 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 2kmi h ARG 16 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2kmi h ARG 16 CO 0.00 0.00 0.39 1.37 -1.51 0.00 0.00 179.97 180.22 2kmi h LEU 17 N 0.00 0.00 -1.85 3.80 8.10 -1.58 -0.18 115.31 123.60 2kmi h LEU 17 Ca 0.27 0.00 0.23 0.00 0.11 0.00 0.00 57.88 58.48 2kmi h LEU 17 Cb 1.17 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.35 2kmi h LEU 17 CO -0.00 0.00 0.59 0.25 -4.11 0.00 0.00 178.44 175.17 2kmi h LEU 18 N 0.00 0.12 -1.99 0.17 7.12 -1.03 0.19 115.31 119.90 2kmi h LEU 18 Ca 0.21 0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.40 2kmi h LEU 18 Cb 0.99 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.08 2kmi h LEU 18 CO -0.00 0.05 0.49 -0.08 -0.13 0.00 0.00 178.44 178.76 2kmi h GLU 19 N 0.12 0.00 -0.85 1.25 4.57 -1.23 0.38 114.58 118.82 2kmi h GLU 19 Ca 0.41 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.83 2kmi h GLU 19 Cb 1.45 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 30.00 2kmi h GLU 19 CO -0.06 0.00 0.61 0.37 -1.18 0.00 0.00 179.01 178.75 2kmi h GLN 20 N 0.00 0.04 -1.01 1.92 4.15 -0.64 0.11 115.11 119.68 2kmi h GLN 20 Ca 0.28 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.76 2kmi h GLN 20 Cb 1.26 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.87 2kmi h GLN 20 CO -0.00 0.02 0.65 2.35 -1.93 0.00 0.00 178.83 179.92 2kmi h TRP 21 N 0.04 1.21 0.79 3.99 7.01 -1.11 -2.98 115.95 124.89 2kmi h TRP 21 Ca 0.41 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.40 2kmi h TRP 21 Cb 1.57 -0.40 0.01 0.00 -2.10 0.00 0.00 29.16 28.24 2kmi h TRP 21 CO -0.00 0.63 -0.38 0.93 -2.79 0.00 0.00 178.44 176.84 2kmi h GLU 22 N 1.19 -1.02 -1.62 2.65 4.39 -0.96 -3.46 114.58 115.74 2kmi h GLU 22 Ca 0.43 0.07 -0.42 0.00 0.34 0.00 0.00 59.36 59.78 2kmi h GLU 22 Cb 0.15 0.23 -0.12 0.00 -0.10 0.00 0.00 28.75 28.91 2kmi h GLU 22 CO -0.17 -0.67 -0.43 1.17 -1.16 0.00 0.00 179.01 177.75 2kmi n LYS 23 N -5.48 -1.53 0.21 2.33 4.81 -1.13 -4.82 118.16 112.56 2kmi n LYS 23 Ca -0.13 1.15 0.08 0.00 -0.87 0.00 0.00 58.31 58.54 2kmi n LYS 23 Cb 0.42 -5.62 0.46 0.00 0.02 0.00 0.00 35.03 30.31 2kmi n LYS 23 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kmi h ASP 24 N 0.00 0.00 -6.07 3.14 5.19 -1.83 -3.47 116.42 113.38 2kmi h ASP 24 Ca -0.44 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.55 2kmi h ASP 24 Cb 1.35 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.91 2kmi h ASP 24 CO 0.61 0.27 -0.78 -0.67 -3.12 0.00 0.00 179.24 175.55 2kmi n ASP 25 N -3.53 -3.11 -0.16 6.45 -0.08 -1.26 -4.83 116.55 110.04 2kmi n ASP 25 Ca -0.00 -0.74 0.25 0.00 -1.51 0.00 0.00 54.79 52.79 2kmi n ASP 25 Cb 0.42 -4.27 0.68 0.00 2.34 0.00 0.00 41.12 40.29 2kmi n ASP 25 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kmi h ASP 26 N -2.06 0.07 -4.91 1.67 5.19 -1.73 -3.41 116.42 111.24 2kmi h ASP 26 Ca -0.59 0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 55.68 2kmi h ASP 26 Cb 1.36 -0.01 -0.21 0.00 0.18 0.00 0.00 39.33 40.66 2kmi h ASP 26 CO 0.59 0.03 -0.46 -0.63 -3.12 0.00 0.00 179.24 175.64 2kmi s ILE 27 N -5.06 0.08 -0.02 0.35 1.01 -1.26 -5.05 121.20 111.24 2kmi s ILE 27 Ca -0.06 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2kmi s ILE 27 Cb 0.21 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 42.18 2kmi s ILE 27 CO 0.77 -0.34 0.05 1.21 0.00 0.00 0.00 174.94 176.63 2kmi n GLU 28 N 1.51 1.89 -3.33 2.79 2.13 -1.26 -5.02 120.64 119.35 2kmi n GLU 28 Ca -0.22 -0.02 -0.37 0.00 0.66 0.00 0.00 57.16 57.22 2kmi n GLU 28 Cb 0.56 -1.10 -0.06 0.00 0.27 0.00 0.00 31.44 31.11 2kmi n GLU 28 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2kmi s GLU 29 N -2.19 4.06 0.00 5.31 2.56 -1.26 -4.88 118.70 122.30 2kmi s GLU 29 Ca -0.02 0.58 0.00 0.00 0.00 0.00 0.00 54.97 55.53 2kmi s GLU 29 Cb 0.02 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 33.10 2kmi s GLU 29 CO 0.17 0.54 0.00 0.41 -0.56 0.00 0.00 175.26 175.82 2kmi n GLY 30 N 1.16 0.00 3.62 -1.50 0.00 -1.26 -4.64 105.19 102.58 2kmi n GLY 30 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2kmi n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kmi s ASP 31 N 0.00 4.71 0.20 1.61 1.01 -1.26 -2.07 116.67 120.87 2kmi s ASP 31 Ca 0.00 -0.22 0.08 0.00 0.71 0.00 0.00 52.55 53.12 2kmi s ASP 31 Cb 0.00 -1.06 -0.05 0.00 1.01 0.00 0.00 42.92 42.83 2kmi s ASP 31 CO 0.00 0.22 -0.15 -0.76 0.21 0.00 0.00 175.17 174.68 2kmi s LEU 32 N -1.93 2.54 -1.03 1.23 2.01 -1.25 -4.98 118.68 115.25 2kmi s LEU 32 Ca 0.21 -0.99 -0.24 0.00 0.01 0.00 0.00 54.13 53.12 2kmi s LEU 32 Cb -0.11 -0.72 -0.07 0.00 0.01 0.00 0.00 46.19 45.30 2kmi s LEU 32 CO 0.13 -0.14 1.94 -2.16 1.01 0.00 0.00 176.35 177.13 2kmi s PRO 33 N -3.49 2.53 -0.47 1.29 0.04 -1.26 -4.91 135.00 128.72 2kmi s PRO 33 Ca 0.22 -0.70 -0.14 0.00 0.04 0.00 0.00 61.00 60.42 2kmi s PRO 33 Cb -0.02 -5.15 0.08 0.00 0.04 0.00 0.00 34.50 29.46 2kmi s PRO 33 CO 0.07 -3.66 0.38 -1.83 0.04 0.00 0.00 177.00 172.00 2kmi s GLU 34 N 6.76 2.88 0.50 4.56 1.03 -1.26 -5.05 118.70 128.12 2kmi s GLU 34 Ca 0.69 -1.45 0.01 0.00 0.03 0.00 0.00 54.97 54.25 2kmi s GLU 34 Cb -0.04 -4.08 -0.00 0.00 -0.80 0.00 0.00 34.13 29.21 2kmi s GLU 34 CO 0.06 -1.07 0.02 1.58 -1.33 0.00 0.00 175.26 174.52 2kmi n HIS 35 N 5.14 1.03 -1.61 4.83 -0.00 -1.26 -4.66 115.22 118.70 2kmi n HIS 35 Ca -0.12 -2.57 -0.47 0.00 0.46 0.00 0.00 57.72 55.01 2kmi n HIS 35 Cb 0.43 -0.29 -0.03 0.00 -0.12 0.00 0.00 29.99 29.97 2kmi n HIS 35 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2kmi n LYS 36 N -1.23 1.43 -4.43 1.57 4.81 -1.26 -4.79 118.16 114.25 2kmi n LYS 36 Ca -0.19 0.51 -0.24 0.00 -0.87 0.00 0.00 58.31 57.52 2kmi n LYS 36 Cb 0.65 -2.04 -0.09 0.00 0.02 0.00 0.00 35.03 33.56 2kmi n LYS 36 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2kmi s ARG 37 N -0.45 1.83 0.90 1.64 0.52 -1.26 -5.11 118.95 117.01 2kmi s ARG 37 Ca 0.71 -1.69 -0.12 0.00 -0.52 0.00 0.00 55.73 54.12 2kmi s ARG 37 Cb -0.78 -1.86 0.13 0.00 0.52 0.00 0.00 34.95 32.95 2kmi s ARG 37 CO 0.52 0.34 1.09 -1.25 0.02 0.00 0.00 175.30 176.02 2kmi s PRO 38 N -3.55 1.23 -0.33 3.54 0.04 -1.26 -4.94 135.00 129.73 2kmi s PRO 38 Ca 0.30 0.81 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 2kmi s PRO 38 Cb -0.05 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 2kmi s PRO 38 CO 0.16 -2.26 0.18 -1.54 0.04 0.00 0.00 177.00 173.58 2kmi s SER 39 N -3.42 5.68 -0.15 6.66 1.04 -1.26 -4.62 113.70 117.62 2kmi s SER 39 Ca 0.63 -0.62 -0.34 0.00 0.48 0.00 0.00 55.95 56.10 2kmi s SER 39 Cb -0.18 -2.03 0.13 0.00 0.10 0.00 0.00 66.02 64.04 2kmi s SER 39 CO 0.57 -0.25 1.16 0.00 0.98 0.00 0.00 173.24 175.70 2kmi s ALA 40 N 1.62 -2.03 0.15 5.32 0.00 -1.24 -5.01 121.76 120.57 2kmi s ALA 40 Ca 0.04 1.47 -0.31 0.00 0.00 0.00 0.00 51.96 53.17 2kmi s ALA 40 Cb -0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 2kmi s ALA 40 CO 0.07 -0.63 1.33 -1.25 0.00 0.00 0.00 175.76 175.29 2kmi s PRO 41 N -2.54 4.36 -0.26 0.00 0.04 -1.26 -4.57 135.00 130.77 2kmi s PRO 41 Ca 0.09 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 2kmi s PRO 41 Cb -0.01 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 2kmi s PRO 41 CO -0.05 -0.33 0.09 -1.50 0.04 0.00 0.00 177.00 175.25 2kmi s ILE 42 N 0.60 4.35 -0.27 0.56 2.07 -1.26 -5.01 121.20 122.25 2kmi s ILE 42 Ca 0.60 -0.26 -0.03 0.00 -1.41 0.00 0.00 60.65 59.55 2kmi s ILE 42 Cb -0.36 -3.09 0.15 0.00 0.13 0.00 0.00 42.46 39.29 2kmi s ILE 42 CO 0.34 0.27 0.49 1.51 -1.91 0.00 0.00 174.94 175.64 2kmi s ASP 43 N 1.61 -0.57 0.32 4.50 1.47 -1.26 -2.49 116.67 120.24 2kmi s ASP 43 Ca 0.06 0.68 0.25 0.00 1.18 0.00 0.00 52.55 54.72 2kmi s ASP 43 Cb -0.16 1.66 1.11 0.00 -0.34 0.00 0.00 42.92 45.19 2kmi s ASP 43 CO 0.04 -0.27 1.75 2.19 0.68 0.00 0.00 175.17 179.57 2kmi h PHE 44 N 8.09 0.00 -0.45 2.11 -0.00 -1.92 -1.42 116.94 123.36 2kmi h PHE 44 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.77 2kmi h PHE 44 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.10 2kmi h PHE 44 CO 0.13 0.00 0.00 0.43 -0.00 0.00 0.00 178.31 178.87 2kmi n SER 45 N -2.37 3.30 -2.95 -0.68 7.64 -1.26 -5.01 113.62 112.28 2kmi n SER 45 Ca 0.01 -1.97 -0.03 0.00 1.01 0.00 0.00 58.87 57.89 2kmi n SER 45 Cb 0.19 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2kmi n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kmi n LYS 46 N 1.35 -2.17 -4.29 1.43 4.81 -0.53 -5.03 118.16 113.72 2kmi n LYS 46 Ca 0.20 1.94 -0.22 0.00 -0.87 0.00 0.00 58.31 59.36 2kmi n LYS 46 Cb 0.56 -3.66 -0.12 0.00 0.02 0.00 0.00 35.03 31.84 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2kmi s LEU 47 N -1.56 2.37 0.36 3.14 0.05 -1.26 -5.11 118.68 116.66 2kmi s LEU 47 Ca 0.05 -0.77 0.01 0.00 0.05 0.00 0.00 54.13 53.46 2kmi s LEU 47 Cb -0.01 -0.79 -0.03 0.00 -2.05 0.00 0.00 46.19 43.31 2kmi s LEU 47 CO 0.52 -0.02 0.56 -1.81 -0.55 0.00 0.00 176.35 175.05 2kmi s ASP 48 N -2.29 6.25 0.67 1.48 1.01 -1.26 -4.96 116.67 117.56 2kmi s ASP 48 Ca 0.10 0.42 -0.15 0.00 0.71 0.00 0.00 52.55 53.64 2kmi s ASP 48 Cb -0.07 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.89 2kmi s ASP 48 CO 0.05 -0.34 1.11 -2.16 0.21 0.00 0.00 175.17 174.04 2kmi s PRO 49 N -4.34 2.77 0.01 8.23 0.04 -1.26 -5.02 135.00 135.43 2kmi s PRO 49 Ca 0.41 1.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.77 2kmi s PRO 49 Cb -0.10 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2kmi s PRO 49 CO 0.36 -1.28 -0.11 0.41 0.04 0.00 0.00 177.00 176.42 2kmi n GLY 50 N -0.56 -0.20 3.76 0.56 0.00 -1.26 -5.06 105.19 102.43 2kmi n GLY 50 Ca 0.10 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.28 2.15 0.45 1.61 1.02 -1.26 -5.00 119.74 116.43 2kmi s LYS 51 Ca -0.09 1.11 -0.23 0.00 0.02 0.00 0.00 55.97 56.78 2kmi s LYS 51 Cb 0.01 -1.89 -0.07 0.00 -0.52 0.00 0.00 37.83 35.36 2kmi s LYS 51 CO 0.14 -1.70 1.17 -1.25 -0.92 0.00 0.00 175.35 172.79 2kmi s PRO 52 N -4.92 3.79 0.56 -1.68 0.04 -1.26 -4.91 135.00 126.63 2kmi s PRO 52 Ca 0.61 1.78 0.26 0.00 0.04 0.00 0.00 61.00 63.70 2kmi s PRO 52 Cb -0.17 -2.44 1.52 0.00 0.04 0.00 0.00 34.50 33.46 2kmi s PRO 52 CO 0.56 -0.53 2.08 1.05 0.04 0.00 0.00 177.00 180.20 2kmi h GLU 53 N 2.12 0.00 0.12 4.56 -0.00 -1.98 -2.55 114.58 116.85 2kmi h GLU 53 Ca -0.49 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 58.88 2kmi h GLU 53 Cb 1.25 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 29.95 2kmi h GLU 53 CO 0.60 0.00 -0.46 1.03 -0.00 0.00 0.00 179.01 180.18 2kmi h SER 54 N 0.00 -1.37 0.67 3.06 0.87 -2.03 -1.50 113.55 113.25 2kmi h SER 54 Ca 0.12 0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2kmi h SER 54 Cb 0.56 0.51 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 2kmi h SER 54 CO -0.00 -0.52 -0.27 0.40 -0.53 0.00 0.00 176.83 175.90 2kmi h ILE 55 N -0.70 0.78 -0.28 2.23 1.08 -1.86 -2.82 117.51 115.94 2kmi h ILE 55 Ca 0.01 -1.14 0.08 0.00 -0.39 0.00 0.00 64.86 63.42 2kmi h ILE 55 Cb 0.72 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 2kmi h ILE 55 CO -0.26 0.27 0.29 0.25 -0.69 0.00 0.00 178.15 178.01 2kmi h LEU 56 N 0.00 0.00 -2.04 1.44 6.46 -0.93 -0.07 115.31 120.18 2kmi h LEU 56 Ca -0.00 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.88 2kmi h LEU 56 Cb 0.68 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2kmi h LEU 56 CO 0.04 0.00 0.38 0.07 -0.62 0.00 0.00 178.44 178.30 2kmi h LYS 57 N 0.00 0.00 0.07 1.25 2.10 -1.28 -2.26 116.57 116.45 2kmi h LYS 57 Ca 0.13 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.81 2kmi h LYS 57 Cb 0.71 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.00 2kmi h LYS 57 CO -0.00 0.00 -0.40 1.98 -2.00 0.00 0.00 179.45 179.02 2kmi h MET 58 N 0.00 -0.58 -4.52 0.07 4.05 -1.24 -3.43 114.93 109.28 2kmi h MET 58 Ca 0.21 0.04 -0.30 0.00 -0.28 0.00 0.00 59.70 59.37 2kmi h MET 58 Cb 0.96 0.13 -0.24 0.00 -0.80 0.00 0.00 31.60 31.66 2kmi h MET 58 CO -0.00 -0.39 -0.74 0.95 0.23 0.00 0.00 176.91 176.96 2kmi s THR 59 N -5.92 0.53 0.08 -0.77 -4.23 -0.85 -5.14 115.64 99.34 2kmi s THR 59 Ca -0.16 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.57 2kmi s THR 59 Cb 0.08 -0.55 -0.03 0.00 1.34 0.00 0.00 72.50 73.34 2kmi s THR 59 CO 0.64 -0.21 -0.10 -0.54 -0.54 0.00 0.00 174.62 173.86 2kmi s LYS 60 N -1.11 0.75 -0.41 3.99 1.02 -1.26 -4.84 119.74 117.88 2kmi s LYS 60 Ca -0.06 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.64 2kmi s LYS 60 Cb -0.07 -0.52 0.01 0.00 -0.52 0.00 0.00 37.83 36.72 2kmi s LYS 60 CO 0.00 0.09 1.34 0.21 -0.92 0.00 0.00 175.35 176.08 2kmi s LYS 61 N -2.24 3.65 0.00 1.68 2.47 0.86 -3.88 119.74 122.27 2kmi s LYS 61 Ca -0.00 0.91 0.00 0.00 -1.56 0.00 0.00 55.97 55.31 2kmi s LYS 61 Cb -0.06 -3.98 0.00 0.00 -1.46 0.00 0.00 37.83 32.32 2kmi s LYS 61 CO 0.00 -1.47 0.49 0.41 0.16 0.00 0.00 175.35 174.94 2kmi n GLY 62 N 4.93 -1.61 3.19 5.54 0.00 -0.63 -3.66 105.19 112.95 2kmi n GLY 62 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 2kmi n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kmi s LYS 63 N 0.00 0.30 0.54 1.61 1.02 -0.98 -4.56 119.74 117.68 2kmi s LYS 63 Ca 0.00 0.83 0.02 0.00 0.02 0.00 0.00 55.97 56.84 2kmi s LYS 63 Cb 0.00 0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2kmi s LYS 63 CO 0.00 -0.21 0.76 0.95 -0.92 0.00 0.00 175.35 175.93 2kmi s THR 64 N 1.96 2.67 -0.13 2.17 -4.23 -1.26 -2.36 115.64 114.46 2kmi s THR 64 Ca -0.05 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 2kmi s THR 64 Cb -0.10 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.78 2kmi s THR 64 CO -0.11 0.00 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.62 2kmi s LEU 65 N -4.73 1.59 -0.30 4.79 0.20 -1.26 -4.18 118.68 114.79 2kmi s LEU 65 Ca 0.57 -0.43 -0.09 0.00 0.69 0.00 0.00 54.13 54.88 2kmi s LEU 65 Cb -0.10 -1.08 0.17 0.00 -0.43 0.00 0.00 46.19 44.75 2kmi s LEU 65 CO 0.38 -0.05 0.80 0.00 -0.29 0.00 0.00 176.35 177.19 2kmi s MET 66 N 1.39 0.42 -0.19 1.98 0.23 -1.20 -3.89 119.30 118.03 2kmi s MET 66 Ca 0.02 0.91 -0.19 0.00 -1.03 0.00 0.00 55.69 55.39 2kmi s MET 66 Cb -0.13 0.53 0.05 0.00 -1.53 0.00 0.00 34.83 33.75 2kmi s MET 66 CO -0.08 -0.31 0.54 1.41 -2.03 0.00 0.00 175.02 174.56 2kmi s MET 67 N 2.78 0.64 -0.06 3.16 0.00 -1.18 -0.84 119.30 123.80 2kmi s MET 67 Ca 0.04 0.72 -0.03 0.00 0.00 0.00 0.00 55.69 56.43 2kmi s MET 67 Cb -0.11 0.31 0.04 0.00 0.00 0.00 0.00 34.83 35.07 2kmi s MET 67 CO -0.18 -0.08 0.09 -0.06 0.00 0.00 0.00 175.02 174.79 2kmi s PHE 68 N 0.21 -0.01 0.00 4.11 0.08 0.18 -2.81 117.98 119.74 2kmi s PHE 68 Ca -0.01 0.35 -0.08 0.00 0.12 0.00 0.00 56.93 57.31 2kmi s PHE 68 Cb -0.04 -0.42 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2kmi s PHE 68 CO 0.01 -0.23 0.16 0.08 -0.10 0.00 0.00 175.22 175.15 2kmi s VAL 69 N 2.21 0.08 -0.42 -0.44 1.01 -0.92 -1.09 120.40 120.83 2kmi s VAL 69 Ca 0.04 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2kmi s VAL 69 Cb -0.12 -0.49 0.20 0.00 0.00 0.00 0.00 36.38 35.96 2kmi s VAL 69 CO -0.04 -0.38 0.87 0.28 0.00 0.00 0.00 175.10 175.83 2kmi s THR 70 N -1.48 -0.65 -0.17 3.92 -1.32 -0.92 -0.88 115.64 114.15 2kmi s THR 70 Ca -0.14 -0.47 -0.35 0.00 -1.21 0.00 0.00 61.69 59.52 2kmi s THR 70 Cb -0.07 0.00 0.14 0.00 -1.51 0.00 0.00 72.50 71.06 2kmi s THR 70 CO 0.01 0.00 1.22 0.54 -2.21 0.00 0.00 174.62 174.19 2kmi s VAL 71 N 1.18 0.00 -0.24 5.08 0.11 -1.14 -1.69 120.40 123.70 2kmi s VAL 71 Ca 0.24 -0.03 -0.24 0.00 -2.93 0.00 0.00 61.98 59.02 2kmi s VAL 71 Cb 0.04 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2kmi s VAL 71 CO -0.08 0.00 0.81 -0.94 -3.33 0.00 0.00 175.10 171.55 2kmi s SER 72 N -2.28 6.80 0.00 3.54 1.04 -1.26 -3.24 113.70 118.31 2kmi s SER 72 Ca 0.10 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2kmi s SER 72 Cb -0.00 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.69 2kmi s SER 72 CO -0.04 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2kmi n GLY 73 N 3.80 1.84 2.67 7.32 0.00 -1.26 -3.96 105.19 115.60 2kmi n GLY 73 Ca 0.05 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.42 -4.56 1.61 2.85 -1.21 -4.13 115.26 108.40 2kmi n ASN 74 Ca 0.00 -1.53 -0.31 0.00 -0.11 0.00 0.00 54.58 52.63 2kmi n ASN 74 Cb 0.00 0.76 -0.04 0.00 1.24 0.00 0.00 39.78 41.74 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2kmi s PRO 75 N 0.45 2.57 -0.45 1.20 0.04 -1.26 -3.46 135.00 134.09 2kmi s PRO 75 Ca 0.25 0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.37 2kmi s PRO 75 Cb 0.18 -4.84 0.31 0.00 0.04 0.00 0.00 34.50 30.19 2kmi s PRO 75 CO -0.10 -3.17 1.03 0.25 0.04 0.00 0.00 177.00 175.05 2kmi n THR 76 N 7.66 -0.04 0.09 1.26 -2.24 -1.26 -4.98 114.28 114.78 2kmi n THR 76 Ca 0.34 -1.93 0.01 0.00 -2.27 0.00 0.00 64.05 60.19 2kmi n THR 76 Cb 0.49 1.21 0.34 0.00 -2.10 0.00 0.00 70.33 70.26 2kmi n THR 76 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kmi h GLU 77 N 3.16 0.29 -0.34 -0.78 4.11 -1.84 -2.32 114.58 116.86 2kmi h GLU 77 Ca -0.08 -0.08 -0.16 0.00 0.07 0.00 0.00 59.36 59.11 2kmi h GLU 77 Cb 1.07 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2kmi h GLU 77 CO 0.21 0.46 -0.41 -0.22 0.07 0.00 0.00 179.01 179.11 2kmi h LYS 78 N 0.28 0.89 -0.52 1.06 1.63 -1.98 -3.10 116.57 114.82 2kmi h LYS 78 Ca 0.05 -0.50 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 2kmi h LYS 78 Cb 0.45 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2kmi h LYS 78 CO 0.03 1.14 0.15 1.49 -3.45 0.00 0.00 179.45 178.81 2kmi h GLU 79 N 0.69 0.81 -0.50 1.90 4.57 -1.90 -3.00 114.58 117.16 2kmi h GLU 79 Ca 0.05 -0.18 0.09 0.00 -1.18 0.00 0.00 59.36 58.13 2kmi h GLU 79 Cb 1.01 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 29.42 2kmi h GLU 79 CO 0.10 0.76 0.08 1.79 -1.18 0.00 0.00 179.01 180.56 2kmi h THR 80 N 0.71 0.69 -0.91 0.32 1.35 -1.41 -0.60 112.91 113.07 2kmi h THR 80 Ca 0.17 -0.07 0.12 0.00 -0.55 0.00 0.00 66.41 66.08 2kmi h THR 80 Cb 0.30 0.47 -0.07 0.00 -1.73 0.00 0.00 68.15 67.11 2kmi h THR 80 CO -0.00 0.04 0.58 -0.08 -0.25 0.00 0.00 175.52 175.81 2kmi h GLU 81 N 0.21 0.79 0.00 4.72 4.81 -1.45 0.24 114.58 123.90 2kmi h GLU 81 Ca 0.25 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2kmi h GLU 81 Cb 0.35 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2kmi h GLU 81 CO -0.35 0.52 0.00 1.49 -0.73 0.00 0.00 179.01 179.94 2kmi h GLU 82 N 0.81 0.00 -0.40 1.92 4.57 -1.04 -1.62 114.58 118.82 2kmi h GLU 82 Ca 0.45 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.48 2kmi h GLU 82 Cb 0.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 2kmi h GLU 82 CO -0.21 0.00 -0.33 0.82 -1.18 0.00 0.00 179.01 178.11 2kmi h ILE 83 N 0.00 1.27 -0.95 2.32 2.04 -0.44 -2.98 117.51 118.77 2kmi h ILE 83 Ca 0.00 -1.50 0.25 0.00 1.00 0.00 0.00 64.86 64.61 2kmi h ILE 83 Cb 0.02 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 2kmi h ILE 83 CO 0.00 0.50 0.65 0.00 0.00 0.00 0.00 178.15 179.30 2kmi h THR 84 N 0.76 0.58 0.42 -0.27 1.03 -1.38 -0.05 112.91 114.01 2kmi h THR 84 Ca 0.08 -0.07 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 2kmi h THR 84 Cb 0.91 0.34 0.00 0.00 -1.07 0.00 0.00 68.15 68.34 2kmi h THR 84 CO 0.08 0.04 -0.20 0.28 -0.01 0.00 0.00 175.52 175.71 2kmi h SER 85 N 0.22 -0.48 -0.44 0.00 0.02 -1.66 -3.19 113.55 108.02 2kmi h SER 85 Ca 0.48 -0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.51 2kmi h SER 85 Cb 1.52 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 2kmi h SER 85 CO -0.12 -0.05 0.35 -0.07 -1.14 0.00 0.00 176.83 175.81 2kmi h LEU 86 N -1.09 0.00 -0.74 5.07 3.38 -1.39 -1.29 115.31 119.24 2kmi h LEU 86 Ca -0.06 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.04 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 0.09 0.00 0.32 -0.25 0.09 0.00 0.00 178.44 178.70 2kmi h TRP 87 N 0.00 0.56 -0.99 1.13 2.91 -1.01 -0.15 115.95 118.40 2kmi h TRP 87 Ca 0.21 0.03 0.18 0.00 1.13 0.00 0.00 58.89 60.44 2kmi h TRP 87 Cb 0.92 -0.14 -0.10 0.00 -0.51 0.00 0.00 29.16 29.33 2kmi h TRP 87 CO 0.00 0.12 0.61 1.96 -1.03 0.00 0.00 178.44 180.11 2kmi h GLN 88 N 0.50 0.73 -0.57 2.65 1.08 -1.32 -0.95 115.11 117.23 2kmi h GLN 88 Ca 0.39 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.58 2kmi h GLN 88 Cb 0.54 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 2kmi h GLN 88 CO -0.36 0.49 0.34 0.78 -0.95 0.00 0.00 178.83 179.13 2kmi h GLY 89 N 0.76 0.82 1.57 3.46 0.00 0.12 -1.61 103.07 108.17 2kmi h GLY 89 Ca 0.55 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.68 2kmi h GLY 89 CO -0.33 0.21 0.16 1.48 0.00 0.00 0.00 176.54 178.06 2kmi h SER 90 N 0.68 0.00 0.34 0.19 4.64 -1.13 -2.75 113.55 115.51 2kmi h SER 90 Ca 0.23 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2kmi h SER 90 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 2kmi h SER 90 CO -0.10 0.00 -0.51 0.25 -0.87 0.00 0.00 176.83 175.59 2kmi h LEU 91 N 0.00 -1.47 -1.07 5.97 6.46 -1.16 -1.96 115.31 122.08 2kmi h LEU 91 Ca 0.10 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 58.11 2kmi h LEU 91 Cb 0.42 0.51 -0.08 0.00 -0.73 0.00 0.00 40.66 40.78 2kmi h LEU 91 CO -0.00 -0.62 0.62 0.15 -0.62 0.00 0.00 178.44 177.97 2kmi h PHE 92 N -0.90 1.08 0.21 1.25 3.57 -1.56 -2.68 116.94 117.92 2kmi h PHE 92 Ca -0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kmi h PHE 92 Cb 0.82 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 39.17 2kmi h PHE 92 CO -0.34 0.45 -0.52 -0.97 -2.23 0.00 0.00 178.31 174.70 2kmi h ASN 93 N 0.96 -1.54 0.00 0.41 -1.24 -1.07 -3.44 115.58 109.67 2kmi h ASN 93 Ca 0.47 0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.64 2kmi h ASN 93 Cb 0.47 0.55 0.00 0.00 0.73 0.00 0.00 38.32 40.08 2kmi h ASN 93 CO -0.23 -0.58 0.00 0.00 -1.29 0.00 0.00 177.43 175.33 2kmi n ALA 94 N -2.90 1.61 -2.65 1.57 0.00 -0.81 -4.33 120.51 113.00 2kmi n ALA 94 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 2kmi n ALA 94 Cb 0.42 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.93 2kmi n ALA 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kmi n ASN 95 N -1.45 -1.07 -2.97 0.00 3.02 -1.23 -4.91 115.26 106.64 2kmi n ASN 95 Ca 0.00 -1.19 -0.04 0.00 -0.03 0.00 0.00 54.58 53.32 2kmi n ASN 95 Cb 0.00 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 2kmi n ASN 95 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kmi n TYR 96 N 1.88 -2.34 -2.86 3.10 4.01 -1.25 -4.90 117.16 114.80 2kmi n TYR 96 Ca 0.04 1.02 -0.37 0.00 -0.16 0.00 0.00 57.90 58.43 2kmi n TYR 96 Cb 0.70 -2.71 -0.01 0.00 -0.31 0.00 0.00 39.34 37.01 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 0.78 6.17 -4.14 7.72 8.00 -1.25 -5.00 116.55 128.83 2kmi n ASP 97 Ca 0.00 -3.61 -0.21 0.00 0.71 0.00 0.00 54.79 51.68 2kmi n ASP 97 Cb 0.28 -1.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.25 2kmi n ASP 97 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2kmi s VAL 98 N -3.90 1.14 0.01 2.53 -7.23 -1.26 -2.13 120.40 109.55 2kmi s VAL 98 Ca 0.40 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2kmi s VAL 98 Cb 0.18 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 36.09 2kmi s VAL 98 CO -0.07 0.05 -0.06 -1.58 -0.31 0.00 0.00 175.10 173.12 2kmi s GLN 99 N -1.04 0.50 -0.04 4.82 0.74 0.67 -4.87 119.66 120.44 2kmi s GLN 99 Ca 0.02 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.13 2kmi s GLN 99 Cb -0.08 -0.44 0.00 0.00 1.10 0.00 0.00 33.01 33.60 2kmi s GLN 99 CO 0.01 0.11 -0.12 0.50 -0.55 0.00 0.00 175.29 175.25 2kmi s ARG 100 N -0.45 1.30 0.03 1.67 3.00 -1.26 -1.44 118.95 121.80 2kmi s ARG 100 Ca -0.00 -0.41 0.05 0.00 -1.00 0.00 0.00 55.73 54.37 2kmi s ARG 100 Cb -0.04 -1.16 -0.02 0.00 0.00 0.00 0.00 34.95 33.73 2kmi s ARG 100 CO -0.00 0.14 -0.14 0.12 0.00 0.00 0.00 175.30 175.42 2kmi s PHE 101 N 0.23 1.23 -0.07 5.12 5.36 -1.07 -4.33 117.98 124.44 2kmi s PHE 101 Ca -0.05 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 55.57 2kmi s PHE 101 Cb -0.11 -0.74 0.03 0.00 -0.34 0.00 0.00 43.02 41.87 2kmi s PHE 101 CO 0.01 0.03 0.01 0.42 -1.46 0.00 0.00 175.22 174.23 2kmi s ILE 102 N -0.78 0.30 -0.14 3.12 1.01 -1.26 -2.33 121.20 121.12 2kmi s ILE 102 Ca 0.02 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2kmi s ILE 102 Cb -0.07 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.97 2kmi s ILE 102 CO 0.01 0.24 0.37 0.54 0.00 0.00 0.00 174.94 176.10 2kmi s VAL 103 N 2.00 -0.01 0.00 2.92 0.11 -1.19 -5.07 120.40 119.16 2kmi s VAL 103 Ca 0.05 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2kmi s VAL 103 Cb -0.12 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2kmi s VAL 103 CO -0.05 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2kmi n GLY 104 N 3.52 0.75 0.82 6.54 0.00 -1.26 -3.14 105.19 112.42 2kmi n GLY 104 Ca -0.18 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.44 2.43 -4.30 1.61 7.64 -1.26 -4.88 113.62 114.43 2kmi n SER 105 Ca 0.00 -1.87 -0.27 0.00 1.01 0.00 0.00 58.87 57.74 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 -1.40 2.79 0.01 6.43 -4.77 -1.19 -4.41 116.67 114.14 2kmi s ASP 106 Ca 0.34 -0.57 0.07 0.00 -3.30 0.00 0.00 52.55 49.09 2kmi s ASP 106 Cb 0.19 -0.23 -0.02 0.00 -1.09 0.00 0.00 42.92 41.77 2kmi s ASP 106 CO 0.27 0.19 -0.20 -0.60 0.70 0.00 0.00 175.17 175.53 2kmi s ARG 107 N -1.29 1.51 0.06 2.11 3.00 -1.20 -3.19 118.95 119.95 2kmi s ARG 107 Ca 0.09 -0.82 0.09 0.00 -1.00 0.00 0.00 55.73 54.10 2kmi s ARG 107 Cb -0.09 -1.53 -0.03 0.00 0.00 0.00 0.00 34.95 33.29 2kmi s ARG 107 CO 0.02 0.41 -0.26 0.00 0.00 0.00 0.00 175.30 175.47 2kmi s ALA 108 N -0.62 2.22 -0.01 6.12 0.00 -0.98 -2.90 121.76 125.59 2kmi s ALA 108 Ca 0.08 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2kmi s ALA 108 Cb -0.08 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2kmi s ALA 108 CO 0.00 0.52 -0.13 -1.50 0.00 0.00 0.00 175.76 174.65 2kmi s ILE 109 N -0.85 1.03 -0.05 0.00 2.07 -0.06 -2.61 121.20 120.74 2kmi s ILE 109 Ca 0.12 -0.58 -0.02 0.00 -1.41 0.00 0.00 60.65 58.76 2kmi s ILE 109 Cb -0.10 -0.86 0.03 0.00 0.13 0.00 0.00 42.46 41.66 2kmi s ILE 109 CO 0.03 0.28 0.04 0.12 -1.91 0.00 0.00 174.94 173.49 2kmi s PHE 110 N -0.33 0.23 -0.05 3.50 2.19 -0.52 -2.16 117.98 120.83 2kmi s PHE 110 Ca 0.05 0.13 0.00 0.00 0.33 0.00 0.00 56.93 57.44 2kmi s PHE 110 Cb -0.05 -0.55 0.03 0.00 -1.31 0.00 0.00 43.02 41.13 2kmi s PHE 110 CO -0.00 -0.22 -0.01 0.00 1.83 0.00 0.00 175.22 176.81 2kmi s MET 111 N 2.03 0.54 -0.14 10.12 0.23 -1.12 -0.24 119.30 130.71 2kmi s MET 111 Ca 0.04 0.03 -0.11 0.00 -1.03 0.00 0.00 55.69 54.63 2kmi s MET 111 Cb -0.12 -0.73 0.05 0.00 -1.53 0.00 0.00 34.83 32.50 2kmi s MET 111 CO -0.04 -0.17 0.37 -1.17 -2.03 0.00 0.00 175.02 171.99 2kmi s LEU 112 N 1.27 0.33 0.43 0.18 1.98 -0.91 -3.12 118.68 118.84 2kmi s LEU 112 Ca -0.06 0.76 0.17 0.00 -2.89 0.00 0.00 54.13 52.11 2kmi s LEU 112 Cb -0.13 1.22 0.98 0.00 0.66 0.00 0.00 46.19 48.92 2kmi s LEU 112 CO -0.02 -0.16 1.94 0.08 -1.89 0.00 0.00 176.35 176.30 2kmi h ARG 113 N 6.33 0.00 0.00 1.98 -0.00 -1.79 -3.28 114.38 117.61 2kmi h ARG 113 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.66 2kmi h ARG 113 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2kmi h ARG 113 CO 0.30 0.25 -0.03 -0.44 -0.00 0.00 0.00 179.97 180.04 2kmi h ASP 114 N 0.00 0.00 0.00 0.08 3.32 -1.91 -3.36 116.42 114.55 2kmi h ASP 114 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kmi h ASP 114 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2kmi h ASP 114 CO 0.03 0.35 0.00 0.61 -1.72 0.00 0.00 179.24 178.51 2kmi n GLY 115 N 1.84 1.94 0.49 2.75 0.00 -1.24 -4.60 105.19 106.37 2kmi n GLY 115 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.50 1.61 0.87 -1.93 0.25 113.55 113.30 2kmi h SER 116 Ca 0.00 0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 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 -0.59 -0.50 0.22 -0.53 0.00 0.00 176.83 175.43 2kmi h TYR 117 N -0.82 0.00 -0.14 2.24 5.03 -2.01 -2.87 116.97 118.40 2kmi h TYR 117 Ca -0.02 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.23 2kmi h TYR 117 Cb 0.79 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 2kmi h TYR 117 CO -0.41 0.50 -0.17 0.00 -1.32 0.00 0.00 178.16 176.75 2kmi h ALA 118 N 1.50 1.45 -0.79 1.82 0.00 -1.72 -2.54 119.26 118.99 2kmi h ALA 118 Ca -0.00 -0.24 0.23 0.00 0.00 0.00 0.00 54.91 54.90 2kmi h ALA 118 Cb 0.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2kmi h ALA 118 CO 0.06 0.39 0.57 2.35 0.00 0.00 0.00 179.25 182.62 2kmi h TRP 119 N 0.22 0.00 0.92 0.00 2.91 -0.28 0.26 115.95 119.98 2kmi h TRP 119 Ca 0.04 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 2kmi h TRP 119 Cb 0.44 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.10 2kmi h TRP 119 CO 0.01 0.00 -0.44 1.49 -1.03 0.00 0.00 178.44 178.46 2kmi h GLU 120 N 0.00 -1.20 -0.06 2.65 4.81 -1.62 -3.02 114.58 116.15 2kmi h GLU 120 Ca 0.37 0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.58 2kmi h GLU 120 Cb 1.51 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 2kmi h GLU 120 CO -0.00 -0.80 -0.46 0.82 -0.73 0.00 0.00 179.01 177.84 2kmi h ILE 121 N -1.33 1.33 -0.81 2.32 5.03 -1.52 -2.90 117.51 119.63 2kmi h ILE 121 Ca -0.13 -1.61 0.23 0.00 -0.12 0.00 0.00 64.86 63.24 2kmi h ILE 121 Cb 0.95 1.79 -0.03 0.00 -3.03 0.00 0.00 36.82 36.50 2kmi h ILE 121 CO 0.21 0.47 0.58 0.50 -0.68 0.00 0.00 178.15 179.23 2kmi h LYS 122 N 0.11 0.01 0.59 2.37 3.11 -0.46 0.26 116.57 122.55 2kmi h LYS 122 Ca 0.01 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2kmi h LYS 122 Cb 0.85 -0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.09 2kmi h LYS 122 CO 0.07 0.00 -0.28 0.22 -2.81 0.00 0.00 179.45 176.65 2kmi h ASP 123 N 0.01 -0.67 0.12 4.20 3.58 -1.38 -2.38 116.42 119.89 2kmi h ASP 123 Ca 0.38 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 57.68 2kmi h ASP 123 Cb 1.53 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 2kmi h ASP 123 CO -0.01 -0.37 -0.43 -0.26 -2.88 0.00 0.00 179.24 175.30 2kmi h PHE 124 N -0.96 0.46 0.41 0.28 -1.00 -1.46 -1.46 116.94 113.22 2kmi h PHE 124 Ca -0.08 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 2kmi h PHE 124 Cb 0.66 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 2kmi h PHE 124 CO -0.01 0.76 -0.52 1.25 -1.61 0.00 0.00 178.31 178.18 2kmi h LEU 125 N 0.32 -1.46 -1.02 1.54 7.12 -0.49 -2.46 115.31 118.86 2kmi h LEU 125 Ca 0.03 0.13 -0.10 0.00 0.13 0.00 0.00 57.88 58.06 2kmi h LEU 125 Cb 0.89 0.50 -0.01 0.00 -0.53 0.00 0.00 40.66 41.50 2kmi h LEU 125 CO 0.07 -0.65 -0.49 1.62 -0.13 0.00 0.00 178.44 178.87 2kmi h VAL 126 N -0.95 1.35 -0.78 1.05 3.04 -1.47 -2.94 116.25 115.55 2kmi h VAL 126 Ca -0.05 -1.67 0.23 0.00 -1.01 0.00 0.00 66.70 64.20 2kmi h VAL 126 Cb 0.85 1.90 -0.03 0.00 -2.01 0.00 0.00 31.29 32.00 2kmi h VAL 126 CO -0.12 0.48 0.56 -1.28 -1.01 0.00 0.00 177.57 176.20 2kmi h SER 127 N 0.01 0.00 -0.34 3.17 0.87 -0.80 0.41 113.55 116.86 2kmi h SER 127 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2kmi h SER 127 Cb 0.86 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2kmi h SER 127 CO 0.06 0.00 -0.03 -0.61 -0.53 0.00 0.00 176.83 175.72 2kmi h GLN 128 N 0.00 0.63 -1.76 2.24 4.15 -1.29 -3.47 115.11 115.61 2kmi h GLN 128 Ca 0.37 -0.22 -0.36 0.00 0.77 0.00 0.00 58.65 59.22 2kmi h GLN 128 Cb 1.49 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 29.06 2kmi h GLN 128 CO -0.00 0.77 -0.40 -3.47 -1.93 0.00 0.00 178.83 173.80 2kmi n ASP 129 N -4.48 -5.14 -2.67 -0.69 -0.08 0.13 -4.86 116.55 98.75 2kmi n ASP 129 Ca -0.02 0.19 -0.04 0.00 -1.51 0.00 0.00 54.79 53.41 2kmi n ASP 129 Cb 0.30 -4.21 0.04 0.00 2.34 0.00 0.00 41.12 39.59 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 -2.60 0.12 -3.75 -0.67 0.63 -0.68 -4.65 116.66 105.06 2kmi n ARG 130 Ca -0.19 -0.80 -0.13 0.00 -0.92 0.00 0.00 57.85 55.80 2kmi n ARG 130 Cb 0.62 -0.01 -0.09 0.00 0.45 0.00 0.00 32.46 33.43 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 -0.57 2.09 -0.12 0.00 0.00 -1.26 -2.15 121.76 119.74 2kmi s ALA 132 Ca -0.07 -1.61 -0.08 0.00 0.00 0.00 0.00 51.96 50.21 2kmi s ALA 132 Cb -0.04 -1.55 0.04 0.00 0.00 0.00 0.00 23.12 21.57 2kmi s ALA 132 CO 0.03 -1.34 0.29 -2.00 0.00 0.00 0.00 175.76 172.74 2kmi s GLU 133 N 1.33 0.28 -0.15 0.00 2.12 -0.25 -4.03 118.70 118.00 2kmi s GLU 133 Ca -0.01 0.55 -0.08 0.00 0.36 0.00 0.00 54.97 55.79 2kmi s GLU 133 Cb -0.19 -0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.24 2kmi s GLU 133 CO -0.09 -0.13 0.36 0.54 -0.54 0.00 0.00 175.26 175.40 2kmi s VAL 134 N 0.98 -0.06 -0.10 3.70 0.11 -0.88 -0.64 120.40 123.51 2kmi s VAL 134 Ca -0.07 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.09 2kmi s VAL 134 Cb -0.08 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2kmi s VAL 134 CO -0.07 0.05 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.82 2kmi s THR 135 N 1.42 0.73 0.02 5.04 2.01 -0.02 -3.96 115.64 120.88 2kmi s THR 135 Ca -0.09 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2kmi s THR 135 Cb -0.09 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 2kmi s THR 135 CO -0.12 0.28 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.57 2kmi s LEU 136 N 1.82 2.17 -0.01 4.42 2.34 -1.26 -3.27 118.68 124.90 2kmi s LEU 136 Ca 0.04 -0.38 -0.19 0.00 0.06 0.00 0.00 54.13 53.66 2kmi s LEU 136 Cb -0.13 -0.08 -0.05 0.00 -0.56 0.00 0.00 46.19 45.37 2kmi s LEU 136 CO -0.07 -0.16 0.55 -0.70 -1.06 0.00 0.00 176.35 174.91 2kmi s GLU 137 N -1.08 4.25 -0.43 1.48 2.56 -1.26 -4.73 118.70 119.49 2kmi s GLU 137 Ca -0.08 0.65 0.07 0.00 0.00 0.00 0.00 54.97 55.61 2kmi s GLU 137 Cb -0.07 -3.32 0.42 0.00 2.00 0.00 0.00 34.13 33.15 2kmi s GLU 137 CO -0.00 0.42 1.06 0.41 -0.56 0.00 0.00 175.26 176.59 2kmi n GLY 138 N 2.38 5.21 3.52 -1.50 0.00 -1.26 -4.89 105.19 108.64 2kmi n GLY 138 Ca -0.08 -2.52 -0.18 0.00 0.00 0.00 0.00 46.02 43.24 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 -3.45 1.06 2.07 1.61 2.00 -1.26 -4.94 119.66 116.76 2kmi s GLN 139 Ca 0.45 0.24 0.00 0.00 -2.00 0.00 0.00 55.36 54.04 2kmi s GLN 139 Cb 0.40 0.50 0.00 0.00 0.80 0.00 0.00 33.01 34.71 2kmi s GLN 139 CO -0.15 -0.34 0.00 -0.12 -0.50 0.00 0.00 175.29 174.19 2kmi n MET 140 N 0.87 0.00 -1.40 1.67 1.56 -1.26 -4.51 117.12 114.04 2kmi n MET 140 Ca -0.19 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 56.93 2kmi n MET 140 Cb 0.57 0.00 0.08 0.00 2.15 0.00 0.00 33.22 36.02 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 2.80 0.95 1.12 1.51 -1.26 -4.89 117.35 117.58 2kmi s TYR 141 Ca 0.00 1.46 -0.12 0.00 -1.01 0.00 0.00 57.07 57.40 2kmi s TYR 141 Cb 0.00 -2.99 0.16 0.00 -0.11 0.00 0.00 41.96 39.02 2kmi s TYR 141 CO 0.00 -1.59 1.09 -1.25 -1.11 0.00 0.00 175.55 172.69 2kmi s PRO 142 N -4.98 0.83 -0.15 -1.71 0.04 -1.25 -1.61 135.00 126.17 2kmi s PRO 142 Ca 0.60 0.66 -0.37 0.00 0.04 0.00 0.00 61.00 61.93 2kmi s PRO 142 Cb -0.16 -1.77 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 2kmi s PRO 142 CO 0.56 -2.50 1.79 0.41 0.04 0.00 0.00 177.00 177.30 2kmi n GLY 143 N -1.11 1.15 0.00 0.56 0.00 -1.00 -3.16 105.19 101.63 2kmi n GLY 143 Ca 0.06 0.88 0.00 0.00 0.00 0.00 0.00 46.02 46.96 2kmi n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmi n LYS 144 N 5.79 0.00 0.00 1.61 5.02 -1.26 -0.43 118.16 128.90 2kmi n LYS 144 Ca 0.24 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 2kmi n LYS 144 Cb 0.22 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.49 2kmi n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29