#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmi n LYS 2 N 0.00 0.00 0.12 5.56 3.00 -1.26 -4.95 118.16 120.62 2kmi n LYS 2 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2kmi n LYS 2 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 35.03 35.11 2kmi n LYS 2 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2kmi h LYS 3 N 0.00 0.00 -1.80 1.64 -0.00 -2.02 -3.25 116.57 111.14 2kmi h LYS 3 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 60.65 60.19 2kmi h LYS 3 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 32.23 32.06 2kmi h LYS 3 CO 0.00 0.72 0.44 0.36 -0.00 0.00 0.00 179.45 180.98 2kmi n LYS 4 N -3.61 2.24 -1.71 0.07 2.85 -1.26 -2.75 118.16 113.99 2kmi n LYS 4 Ca -0.01 -2.19 -0.32 0.00 -1.05 0.00 0.00 58.31 54.75 2kmi n LYS 4 Cb 0.72 -1.99 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 2kmi n LYS 4 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kmi n ASP 5 N 0.58 7.04 -4.01 -5.58 9.92 -1.23 -4.99 116.55 118.28 2kmi n ASP 5 Ca 0.44 -3.24 -0.29 0.00 -0.53 0.00 0.00 54.79 51.17 2kmi n ASP 5 Cb 0.56 -1.26 0.28 0.00 -0.64 0.00 0.00 41.12 40.06 2kmi n ASP 5 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2kmi s ILE 6 N -2.13 1.64 -0.43 0.53 -4.36 -1.26 -4.87 121.20 110.32 2kmi s ILE 6 Ca 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.92 2kmi s ILE 6 Cb 0.32 -2.00 0.11 0.00 1.25 0.00 0.00 42.46 42.14 2kmi s ILE 6 CO -0.19 0.00 2.56 0.54 0.24 0.00 0.00 174.94 178.09 2kmi n ARG 7 N -5.38 2.26 -3.37 0.37 5.12 -1.26 -4.72 116.66 109.68 2kmi n ARG 7 Ca 0.06 -2.19 -0.19 0.00 -1.93 0.00 0.00 57.85 53.60 2kmi n ARG 7 Cb 0.57 -2.02 0.07 0.00 -1.16 0.00 0.00 32.46 29.91 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 0.68 -4.97 -2.94 0.55 2.03 -1.26 -2.16 116.55 108.47 2kmi n ASP 8 Ca 0.45 -0.46 -0.20 0.00 0.52 0.00 0.00 54.79 55.09 2kmi n ASP 8 Cb 0.56 -4.28 0.01 0.00 -0.72 0.00 0.00 41.12 36.68 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 -4.40 -1.69 -0.02 -0.67 4.02 -1.26 -4.88 117.16 108.25 2kmi n TYR 9 Ca -0.04 0.34 -0.02 0.00 -0.01 0.00 0.00 57.90 58.17 2kmi n TYR 9 Cb 0.57 -3.58 -0.01 0.00 -0.02 0.00 0.00 39.34 36.30 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 -2.25 0.50 -2.72 7.72 3.02 -0.92 -5.00 115.26 115.63 2kmi n ASN 10 Ca -0.10 0.09 -0.07 0.00 -0.03 0.00 0.00 54.58 54.47 2kmi n ASN 10 Cb 0.60 -0.55 0.06 0.00 -0.61 0.00 0.00 39.78 39.28 2kmi n ASN 10 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kmi n ASP 11 N -3.01 -2.28 0.09 6.41 8.00 -1.26 -5.00 116.55 119.50 2kmi n ASP 11 Ca -0.04 -2.68 -0.03 0.00 0.71 0.00 0.00 54.79 52.75 2kmi n ASP 11 Cb 0.13 1.39 0.18 0.00 -0.02 0.00 0.00 41.12 42.80 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 3.69 1.01 -0.98 2.24 0.00 -1.94 -3.08 119.26 120.20 2kmi h ALA 12 Ca -0.18 -0.47 0.17 0.00 0.00 0.00 0.00 54.91 54.43 2kmi h ALA 12 Cb 1.10 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 2kmi h ALA 12 CO 0.12 0.65 0.59 0.38 0.00 0.00 0.00 179.25 180.98 2kmi h ASP 13 N 0.18 0.77 -0.32 0.00 3.04 -1.94 0.27 116.42 118.42 2kmi h ASP 13 Ca 0.01 0.09 0.09 0.00 -3.24 0.00 0.00 57.03 53.98 2kmi h ASP 13 Cb 0.93 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 39.16 2kmi h ASP 13 CO 0.08 0.31 0.27 0.24 -2.04 0.00 0.00 179.24 178.09 2kmi h MET 14 N 0.79 0.00 0.00 4.15 2.86 -1.76 0.97 114.93 121.94 2kmi h MET 14 Ca 0.54 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 2kmi h MET 14 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2kmi h MET 14 CO -0.36 0.00 0.02 0.00 1.06 0.00 0.00 176.91 177.64 2kmi h ALA 15 N 1.77 1.02 0.00 6.32 0.00 -0.61 -0.38 119.26 127.38 2kmi h ALA 15 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2kmi h ALA 15 Cb 0.69 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kmi h ALA 15 CO -0.00 -0.02 -0.06 -0.09 0.00 0.00 0.00 179.25 179.08 2kmi h ARG 16 N 0.00 0.00 -0.75 0.00 2.43 -0.92 -2.72 114.38 112.42 2kmi h ARG 16 Ca 0.00 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 2kmi h ARG 16 Cb 0.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2kmi h ARG 16 CO 0.00 0.06 0.58 -0.07 -1.51 0.00 0.00 179.97 179.02 2kmi h LEU 17 N 0.00 0.00 -1.34 3.80 4.07 -1.24 0.49 115.31 121.09 2kmi h LEU 17 Ca -0.00 0.00 0.21 0.00 0.08 0.00 0.00 57.88 58.17 2kmi h LEU 17 Cb 0.35 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.01 2kmi h LEU 17 CO 0.01 0.00 0.62 0.25 -1.08 0.00 0.00 178.44 178.23 2kmi h LEU 18 N 0.00 0.53 -1.99 1.67 5.85 -1.70 0.24 115.31 119.90 2kmi h LEU 18 Ca 0.36 0.06 0.22 0.00 0.84 0.00 0.00 57.88 59.36 2kmi h LEU 18 Cb 1.51 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.48 2kmi h LEU 18 CO -0.00 0.19 0.56 -0.08 -0.34 0.00 0.00 178.44 178.77 2kmi h GLU 19 N 0.52 0.00 -0.20 1.25 4.57 -1.14 0.27 114.58 119.85 2kmi h GLU 19 Ca 0.52 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.76 2kmi h GLU 19 Cb 1.14 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 2kmi h GLU 19 CO -0.25 0.00 0.19 0.37 -1.18 0.00 0.00 179.01 178.14 2kmi h GLN 20 N 0.00 0.00 -0.37 1.92 4.15 -0.68 -0.87 115.11 119.26 2kmi h GLN 20 Ca 0.36 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.62 2kmi h GLN 20 Cb 1.49 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.17 2kmi h GLN 20 CO -0.00 0.00 -0.40 -1.49 -1.93 0.00 0.00 178.83 175.01 2kmi h TRP 21 N 0.00 1.12 0.00 3.99 4.06 -0.61 -3.34 115.95 121.16 2kmi h TRP 21 Ca 0.09 -0.34 0.00 0.00 2.06 0.00 0.00 58.89 60.70 2kmi h TRP 21 Cb 0.47 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 28.40 2kmi h TRP 21 CO 0.00 1.17 0.00 0.39 -3.56 0.00 0.00 178.44 176.44 2kmi n GLU 22 N -4.06 0.00 -1.93 0.49 4.71 -0.34 -4.82 120.64 114.69 2kmi n GLU 22 Ca -0.03 0.55 -0.18 0.00 -0.01 0.00 0.00 57.16 57.49 2kmi n GLU 22 Cb 0.55 -1.37 -0.05 0.00 -1.01 0.00 0.00 31.44 29.56 2kmi n GLU 22 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2kmi n LYS 23 N -1.92 -1.61 0.18 3.49 4.81 -1.22 -4.83 118.16 117.06 2kmi n LYS 23 Ca 0.00 0.97 0.06 0.00 -0.87 0.00 0.00 58.31 58.47 2kmi n LYS 23 Cb 0.00 -5.45 0.31 0.00 0.02 0.00 0.00 35.03 29.91 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 -5.04 3.14 5.19 -1.85 -3.48 116.42 114.38 2kmi h ASP 24 Ca -0.39 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.72 2kmi h ASP 24 Cb 1.24 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.88 2kmi h ASP 24 CO 0.52 0.38 -0.61 -0.67 -3.12 0.00 0.00 179.24 175.74 2kmi n ASP 25 N -3.47 -3.44 0.21 6.45 2.03 -1.26 -4.90 116.55 112.17 2kmi n ASP 25 Ca 0.00 -0.49 0.06 0.00 0.52 0.00 0.00 54.79 54.87 2kmi n ASP 25 Cb 0.53 -4.33 0.46 0.00 -0.72 0.00 0.00 41.12 37.06 2kmi n ASP 25 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2kmi h ASP 26 N -1.85 0.00 -4.07 1.67 1.82 -1.71 -3.45 116.42 108.83 2kmi h ASP 26 Ca -0.49 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 55.85 2kmi h ASP 26 Cb 1.29 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.25 2kmi h ASP 26 CO 0.44 0.29 -0.20 2.30 -1.61 0.00 0.00 179.24 180.45 2kmi n ILE 27 N -3.95 0.00 0.05 2.25 -6.64 -1.26 -5.09 119.36 104.73 2kmi n ILE 27 Ca -0.02 -1.10 0.00 0.00 -1.77 0.00 0.00 62.75 59.87 2kmi n ILE 27 Cb 0.36 0.12 0.00 0.00 -1.44 0.00 0.00 39.64 38.69 2kmi n ILE 27 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 2kmi n GLU 28 N -0.69 0.00 -3.95 6.28 2.13 -1.26 -5.07 120.64 118.07 2kmi n GLU 28 Ca -0.08 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.45 2kmi n GLU 28 Cb 0.30 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.97 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 -2.00 3.36 0.00 5.31 2.12 -1.26 -4.99 118.70 121.24 2kmi s GLU 29 Ca 0.00 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.77 2kmi s GLU 29 Cb 0.00 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.43 2kmi s GLU 29 CO 0.00 0.56 0.52 0.41 -0.54 0.00 0.00 175.26 176.21 2kmi n GLY 30 N -0.10 0.27 3.87 -1.50 0.00 -1.26 -4.62 105.19 101.86 2kmi n GLY 30 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.43 6.62 0.24 1.61 1.01 -1.26 -0.11 116.67 124.35 2kmi s ASP 31 Ca 0.00 0.80 0.09 0.00 0.71 0.00 0.00 52.55 54.15 2kmi s ASP 31 Cb 0.00 -2.18 -0.05 0.00 1.01 0.00 0.00 42.92 41.70 2kmi s ASP 31 CO 0.00 0.09 -0.15 -0.76 0.21 0.00 0.00 175.17 174.55 2kmi s LEU 32 N -2.27 2.57 -0.68 1.23 1.02 -1.26 -4.92 118.68 114.37 2kmi s LEU 32 Ca 0.38 -1.05 -0.26 0.00 0.02 0.00 0.00 54.13 53.23 2kmi s LEU 32 Cb -0.13 -0.82 -0.03 0.00 0.02 0.00 0.00 46.19 45.23 2kmi s LEU 32 CO 0.20 -0.12 1.88 -2.16 0.02 0.00 0.00 176.35 176.18 2kmi s PRO 33 N -3.61 2.61 -0.39 1.29 0.04 -1.26 -4.92 135.00 128.75 2kmi s PRO 33 Ca 0.26 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.71 2kmi s PRO 33 Cb -0.02 -4.56 0.11 0.00 0.04 0.00 0.00 34.50 30.08 2kmi s PRO 33 CO 0.10 -2.90 0.15 -2.00 0.04 0.00 0.00 177.00 172.40 2kmi s GLU 34 N 7.04 1.35 0.93 4.56 2.56 -1.26 -5.11 118.70 128.77 2kmi s GLU 34 Ca 0.68 -1.87 -0.14 0.00 0.00 0.00 0.00 54.97 53.64 2kmi s GLU 34 Cb -0.11 -2.72 0.20 0.00 2.00 0.00 0.00 34.13 33.50 2kmi s GLU 34 CO 0.15 -1.04 1.28 -1.58 -0.56 0.00 0.00 175.26 173.51 2kmi s HIS 35 N 0.69 1.50 -0.16 5.30 2.46 -1.26 -5.02 115.29 118.79 2kmi s HIS 35 Ca 0.14 0.19 -0.25 0.00 0.47 0.00 0.00 55.06 55.61 2kmi s HIS 35 Cb -0.21 -3.98 -0.02 0.00 -0.13 0.00 0.00 32.58 28.24 2kmi s HIS 35 CO -0.08 -2.56 0.81 -1.59 -2.47 0.00 0.00 174.74 168.84 2kmi s LYS 36 N -5.79 4.31 0.30 2.88 -2.85 -1.26 -4.96 119.74 112.35 2kmi s LYS 36 Ca 0.74 0.99 0.11 0.00 -1.00 0.00 0.00 55.97 56.80 2kmi s LYS 36 Cb -0.04 -3.56 -0.05 0.00 -2.06 0.00 0.00 37.83 32.12 2kmi s LYS 36 CO 0.52 -0.29 -0.14 1.03 0.10 0.00 0.00 175.35 176.57 2kmi s ARG 37 N 2.01 1.80 0.69 1.78 0.52 0.93 -5.06 118.95 121.62 2kmi s ARG 37 Ca 0.38 -1.76 -0.14 0.00 -0.52 0.00 0.00 55.73 53.69 2kmi s ARG 37 Cb -0.17 -1.81 0.02 0.00 0.52 0.00 0.00 34.95 33.51 2kmi s ARG 37 CO 0.13 0.28 1.11 -1.25 0.02 0.00 0.00 175.30 175.59 2kmi s PRO 38 N -3.56 2.64 0.01 3.54 0.04 -1.26 -3.76 135.00 132.64 2kmi s PRO 38 Ca 0.31 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 2kmi s PRO 38 Cb -0.03 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 2kmi s PRO 38 CO 0.16 -1.37 0.55 -1.54 0.04 0.00 0.00 177.00 174.84 2kmi s SER 39 N -2.81 6.95 -0.28 6.66 1.04 -1.26 -4.61 113.70 119.37 2kmi s SER 39 Ca 0.65 1.12 -0.38 0.00 0.48 0.00 0.00 55.95 57.82 2kmi s SER 39 Cb -0.20 -2.34 0.16 0.00 0.10 0.00 0.00 66.02 63.74 2kmi s SER 39 CO 0.46 0.17 1.38 0.00 0.98 0.00 0.00 173.24 176.22 2kmi s ALA 40 N -0.48 -2.20 0.02 5.32 0.00 -1.26 -5.07 121.76 118.08 2kmi s ALA 40 Ca 0.29 1.90 -0.30 0.00 0.00 0.00 0.00 51.96 53.84 2kmi s ALA 40 Cb -0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.49 2kmi s ALA 40 CO 0.16 -0.55 1.43 -1.25 0.00 0.00 0.00 175.76 175.56 2kmi s PRO 41 N -2.05 4.27 -0.15 0.00 0.04 -1.26 -4.87 135.00 130.98 2kmi s PRO 41 Ca 0.12 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 63.18 2kmi s PRO 41 Cb -0.01 -3.55 0.03 0.00 0.04 0.00 0.00 34.50 31.01 2kmi s PRO 41 CO -0.02 -0.59 -0.09 -1.50 0.04 0.00 0.00 177.00 174.84 2kmi s ILE 42 N 2.33 1.27 0.35 0.56 1.10 -1.26 -5.00 121.20 120.56 2kmi s ILE 42 Ca 0.65 -0.56 0.03 0.00 -0.51 0.00 0.00 60.65 60.26 2kmi s ILE 42 Cb -0.33 -1.31 -0.04 0.00 0.15 0.00 0.00 42.46 40.93 2kmi s ILE 42 CO 0.28 0.30 0.12 1.51 -2.11 0.00 0.00 174.94 175.04 2kmi s ASP 43 N 1.59 2.24 -0.08 4.50 1.47 -1.26 -3.87 116.67 121.25 2kmi s ASP 43 Ca 0.03 -1.56 -0.06 0.00 1.18 0.00 0.00 52.55 52.14 2kmi s ASP 43 Cb -0.14 0.32 -0.02 0.00 -0.34 0.00 0.00 42.92 42.74 2kmi s ASP 43 CO -0.09 -0.84 -0.12 0.33 0.68 0.00 0.00 175.17 175.13 2kmi n PHE 44 N -0.74 0.42 -2.37 2.11 7.35 -1.26 -4.94 117.46 118.04 2kmi n PHE 44 Ca -0.03 0.18 -0.02 0.00 -0.76 0.00 0.00 57.45 56.82 2kmi n PHE 44 Cb 0.65 -0.49 0.04 0.00 0.35 0.00 0.00 39.48 40.04 2kmi n PHE 44 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2kmi n SER 45 N -3.60 -0.89 0.00 -2.13 2.88 -1.26 -5.04 113.62 103.58 2kmi n SER 45 Ca -0.05 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.82 2kmi n SER 45 Cb 0.18 0.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.72 0.00 -2.57 -1.46 4.76 -1.26 -5.09 118.16 111.82 2kmi n LYS 46 Ca -0.14 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.06 2kmi n LYS 46 Cb 0.69 -0.11 0.12 0.00 -1.84 0.00 0.00 35.03 33.90 2kmi n LYS 46 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kmi s LEU 47 N -3.82 2.92 0.16 -0.35 1.43 -1.26 -5.13 118.68 112.62 2kmi s LEU 47 Ca 0.00 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 2kmi s LEU 47 Cb 0.00 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.49 2kmi s LEU 47 CO 0.00 -2.02 0.57 1.51 0.23 0.00 0.00 176.35 176.63 2kmi s ASP 48 N -4.80 -0.51 -0.91 2.29 1.47 -1.26 -4.90 116.67 108.06 2kmi s ASP 48 Ca 0.68 -0.06 -0.24 0.00 1.18 0.00 0.00 52.55 54.10 2kmi s ASP 48 Cb -0.04 0.58 -0.05 0.00 -0.34 0.00 0.00 42.92 43.07 2kmi s ASP 48 CO 0.46 -0.95 1.94 -2.16 0.68 0.00 0.00 175.17 175.14 2kmi s PRO 49 N -3.76 2.56 -0.02 2.11 0.04 -1.26 -4.68 135.00 129.99 2kmi s PRO 49 Ca 0.01 -0.31 -0.04 0.00 0.04 0.00 0.00 61.00 60.70 2kmi s PRO 49 Cb -0.01 -5.07 -0.01 0.00 0.04 0.00 0.00 34.50 29.45 2kmi s PRO 49 CO -0.13 -3.39 -0.08 0.41 0.04 0.00 0.00 177.00 173.85 2kmi n GLY 50 N 6.83 -0.23 3.40 0.56 0.00 -1.26 -5.05 105.19 109.44 2kmi n GLY 50 Ca 0.40 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 2kmi n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kmi n LYS 51 N -3.20 -0.38 -1.43 1.61 5.02 -1.26 -4.95 118.16 113.57 2kmi n LYS 51 Ca -0.03 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 2kmi n LYS 51 Cb 0.12 -1.83 0.08 0.00 -0.02 0.00 0.00 35.03 33.38 2kmi n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kmi s PRO 52 N -3.59 2.44 0.24 1.97 0.04 -1.26 -4.97 135.00 129.87 2kmi s PRO 52 Ca 0.56 1.25 0.13 0.00 0.04 0.00 0.00 61.00 62.98 2kmi s PRO 52 Cb -0.20 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2kmi s PRO 52 CO 0.68 -1.51 1.40 0.93 0.04 0.00 0.00 177.00 178.54 2kmi h GLU 53 N -0.73 0.00 -0.41 4.56 5.08 -1.99 -3.26 114.58 117.83 2kmi h GLU 53 Ca -0.45 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.99 2kmi h GLU 53 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2kmi h GLU 53 CO 0.52 0.63 -0.05 0.77 -1.00 0.00 0.00 179.01 179.88 2kmi h SER 54 N 0.00 -0.28 -0.35 1.42 0.02 -2.01 -0.43 113.55 111.92 2kmi h SER 54 Ca -0.01 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.94 2kmi h SER 54 Cb 1.48 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 2kmi h SER 54 CO 0.08 -0.10 -0.23 0.40 -1.14 0.00 0.00 176.83 175.85 2kmi h ILE 55 N 0.05 1.29 -0.42 3.27 2.04 -1.98 -2.93 117.51 118.82 2kmi h ILE 55 Ca 0.20 -1.37 0.10 0.00 1.00 0.00 0.00 64.86 64.79 2kmi h ILE 55 Cb 0.30 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2kmi h ILE 55 CO -0.38 0.45 0.30 -0.07 0.00 0.00 0.00 178.15 178.44 2kmi h LEU 56 N 0.56 0.09 -2.31 1.44 -0.00 -1.42 0.67 115.31 114.34 2kmi h LEU 56 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2kmi h LEU 56 Cb 0.79 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2kmi h LEU 56 CO 0.06 0.05 0.10 0.50 -0.00 0.00 0.00 178.44 179.16 2kmi h LYS 57 N 0.10 0.00 -0.95 1.13 1.63 -0.90 -1.90 116.57 115.67 2kmi h LYS 57 Ca 0.20 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.16 2kmi h LYS 57 Cb 0.66 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.20 2kmi h LYS 57 CO -0.02 0.00 0.56 1.98 -3.45 0.00 0.00 179.45 178.52 2kmi h MET 58 N 0.00 0.73 -5.56 1.90 4.05 -0.99 -3.39 114.93 111.67 2kmi h MET 58 Ca 0.05 -0.04 -0.66 0.00 -0.28 0.00 0.00 59.70 58.77 2kmi h MET 58 Cb 0.25 -0.17 -0.08 0.00 -0.80 0.00 0.00 31.60 30.80 2kmi h MET 58 CO -0.00 0.49 -0.48 0.99 0.23 0.00 0.00 176.91 178.13 2kmi s THR 59 N -5.91 5.49 -0.37 -0.77 2.01 -0.71 -5.07 115.64 110.31 2kmi s THR 59 Ca -0.12 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2kmi s THR 59 Cb 0.24 -3.41 0.14 0.00 0.01 0.00 0.00 72.50 69.47 2kmi s THR 59 CO 0.80 0.58 0.21 -0.54 -0.69 0.00 0.00 174.62 174.98 2kmi s LYS 60 N -0.75 0.74 -0.22 4.92 1.02 -1.26 -4.99 119.74 119.20 2kmi s LYS 60 Ca 0.14 -1.49 -0.03 0.00 0.02 0.00 0.00 55.97 54.60 2kmi s LYS 60 Cb -0.12 -1.58 0.10 0.00 -0.52 0.00 0.00 37.83 35.71 2kmi s LYS 60 CO 0.03 -1.19 0.21 0.21 -0.92 0.00 0.00 175.35 173.69 2kmi s LYS 61 N 0.91 0.20 -0.31 1.68 2.47 -1.26 -5.12 119.74 118.31 2kmi s LYS 61 Ca 0.18 0.06 -0.04 0.00 -1.56 0.00 0.00 55.97 54.60 2kmi s LYS 61 Cb -0.23 -1.17 0.04 0.00 -1.46 0.00 0.00 37.83 35.00 2kmi s LYS 61 CO -0.00 -0.75 0.04 0.20 0.16 0.00 0.00 175.35 175.00 2kmi s GLY 62 N 2.30 1.77 -0.16 5.54 0.00 -1.26 -4.55 107.32 110.96 2kmi s GLY 62 Ca 0.07 -1.67 -0.07 0.00 0.00 0.00 0.00 44.72 43.05 2kmi s GLY 62 CO -0.17 0.69 0.36 0.54 0.00 0.00 0.00 173.10 174.52 2kmi s LYS 63 N 1.35 0.30 0.10 2.90 -0.14 -1.24 -4.06 119.74 118.96 2kmi s LYS 63 Ca -0.02 0.78 0.02 0.00 -1.36 0.00 0.00 55.97 55.40 2kmi s LYS 63 Cb -0.19 0.03 -0.04 0.00 -1.68 0.00 0.00 37.83 35.95 2kmi s LYS 63 CO 0.00 -0.20 0.16 -0.08 -0.76 0.00 0.00 175.35 174.48 2kmi s THR 64 N 1.78 4.90 -0.21 2.17 -1.32 -1.08 -1.94 115.64 119.94 2kmi s THR 64 Ca -0.06 -0.71 -0.02 0.00 -1.21 0.00 0.00 61.69 59.69 2kmi s THR 64 Cb -0.10 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2kmi s THR 64 CO -0.11 0.05 -0.10 -0.22 -2.21 0.00 0.00 174.62 172.02 2kmi s LEU 65 N -2.70 2.61 -0.30 9.08 2.96 -1.26 -4.49 118.68 124.58 2kmi s LEU 65 Ca 0.32 -0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2kmi s LEU 65 Cb -0.12 -1.64 0.17 0.00 0.50 0.00 0.00 46.19 45.10 2kmi s LEU 65 CO 0.25 -0.01 0.80 -0.32 -1.32 0.00 0.00 176.35 175.74 2kmi s MET 66 N 1.41 0.43 -0.19 1.98 1.75 -1.19 -3.94 119.30 119.54 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 -0.14 0.52 0.08 0.00 2.84 0.00 0.00 34.83 38.13 2kmi s MET 66 CO -0.07 -0.32 0.43 1.41 -0.65 0.00 0.00 175.02 175.82 2kmi s MET 67 N 2.79 0.37 -0.12 4.11 0.00 -1.14 -1.64 119.30 123.67 2kmi s MET 67 Ca 0.05 0.96 -0.00 0.00 0.00 0.00 0.00 55.69 56.70 2kmi s MET 67 Cb -0.11 0.21 0.03 0.00 0.00 0.00 0.00 34.83 34.95 2kmi s MET 67 CO -0.18 -0.21 -0.07 -0.06 0.00 0.00 0.00 175.02 174.50 2kmi s PHE 68 N 2.14 1.49 -0.01 4.11 0.08 -0.64 -2.40 117.98 122.76 2kmi s PHE 68 Ca -0.05 -0.79 -0.13 0.00 0.12 0.00 0.00 56.93 56.08 2kmi s PHE 68 Cb -0.10 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.13 2kmi s PHE 68 CO -0.13 -0.53 0.28 0.08 -0.10 0.00 0.00 175.22 174.82 2kmi s VAL 69 N 1.70 0.06 -0.44 -0.44 1.01 -0.88 -0.05 120.40 121.37 2kmi s VAL 69 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2kmi s VAL 69 Cb -0.13 -0.61 0.21 0.00 0.00 0.00 0.00 36.38 35.85 2kmi s VAL 69 CO -0.08 -0.29 0.91 1.07 0.00 0.00 0.00 175.10 176.71 2kmi n THR 70 N 1.24 0.00 -3.63 3.92 5.66 -0.85 -1.27 114.28 119.35 2kmi n THR 70 Ca -0.22 -0.78 0.02 0.00 -3.05 0.00 0.00 64.05 60.03 2kmi n THR 70 Cb 0.56 0.94 -0.00 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 0.82 0.00 -0.27 1.08 0.11 -1.18 -1.40 120.40 119.55 2kmi s VAL 71 Ca 0.28 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 2kmi s VAL 71 Cb 0.09 -2.08 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 2kmi s VAL 71 CO -0.10 0.00 0.35 -0.94 -3.33 0.00 0.00 175.10 171.09 2kmi s SER 72 N -3.05 6.22 0.00 3.54 1.04 -1.26 -3.31 113.70 116.88 2kmi s SER 72 Ca 0.16 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.82 2kmi s SER 72 Cb 0.05 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2kmi s SER 72 CO -0.04 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2kmi n GLY 73 N 4.74 1.62 2.65 7.32 0.00 -1.26 -3.64 105.19 116.61 2kmi n GLY 73 Ca -0.09 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.09 2kmi n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kmi n ASN 74 N 0.00 -1.05 -4.55 1.61 4.13 -1.25 -4.11 115.26 110.03 2kmi n ASN 74 Ca 0.00 -0.76 -0.39 0.00 1.68 0.00 0.00 54.58 55.12 2kmi n ASN 74 Cb 0.00 0.53 -0.03 0.00 -1.54 0.00 0.00 39.78 38.74 2kmi n ASN 74 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2kmi s PRO 75 N 0.79 2.64 -0.26 3.52 0.04 -1.26 -4.13 135.00 136.35 2kmi s PRO 75 Ca 0.23 0.63 0.20 0.00 0.04 0.00 0.00 61.00 62.10 2kmi s PRO 75 Cb 0.17 -4.38 0.47 0.00 0.04 0.00 0.00 34.50 30.79 2kmi s PRO 75 CO -0.11 -2.71 1.22 0.25 0.04 0.00 0.00 177.00 175.69 2kmi n THR 76 N 7.22 0.86 -0.32 1.26 -2.24 -1.26 -4.93 114.28 114.87 2kmi n THR 76 Ca 0.20 -2.28 0.18 0.00 -2.27 0.00 0.00 64.05 59.88 2kmi n THR 76 Cb 0.52 1.20 0.43 0.00 -2.10 0.00 0.00 70.33 70.38 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 2.07 0.54 -0.22 -0.78 4.11 -1.85 0.29 114.58 118.74 2kmi h GLU 77 Ca -0.23 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.03 2kmi h GLU 77 Cb 1.31 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2kmi h GLU 77 CO 0.07 0.36 -0.43 0.87 0.07 0.00 0.00 179.01 179.96 2kmi h LYS 78 N 0.56 0.53 -0.36 1.06 6.56 -1.99 -3.10 116.57 119.84 2kmi h LYS 78 Ca 0.56 -0.28 -0.16 0.00 -1.06 0.00 0.00 60.65 59.71 2kmi h LYS 78 Cb 1.17 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.83 2kmi h LYS 78 CO -0.32 0.86 -0.42 1.49 -2.06 0.00 0.00 179.45 179.01 2kmi h GLU 79 N 0.43 0.90 -0.44 3.15 4.57 -0.91 -3.13 114.58 119.15 2kmi h GLU 79 Ca 0.03 -0.49 0.07 0.00 -1.18 0.00 0.00 59.36 57.80 2kmi h GLU 79 Cb 0.93 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.48 2kmi h GLU 79 CO 0.08 1.14 0.07 1.79 -1.18 0.00 0.00 179.01 180.92 2kmi h THR 80 N 0.73 0.74 -0.55 0.32 1.35 -0.96 -1.90 112.91 112.64 2kmi h THR 80 Ca 0.05 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 65.88 2kmi h THR 80 Cb 1.01 0.52 -0.04 0.00 -1.73 0.00 0.00 68.15 67.91 2kmi h THR 80 CO 0.10 0.04 0.30 -0.08 -0.25 0.00 0.00 175.52 175.63 2kmi h GLU 81 N 0.20 0.56 -0.23 4.72 4.81 -1.54 -0.59 114.58 122.52 2kmi h GLU 81 Ca 0.22 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 2kmi h GLU 81 Cb 0.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2kmi h GLU 81 CO -0.30 0.37 0.34 1.49 -0.73 0.00 0.00 179.01 180.18 2kmi h GLU 82 N 0.58 0.00 -0.61 1.92 4.57 -1.29 0.53 114.58 120.28 2kmi h GLU 82 Ca 0.24 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 2kmi h GLU 82 Cb 0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2kmi h GLU 82 CO -0.14 0.00 0.19 0.82 -1.18 0.00 0.00 179.01 178.70 2kmi h ILE 83 N 0.00 1.23 -0.97 2.32 1.08 -0.86 -2.50 117.51 117.82 2kmi h ILE 83 Ca 0.11 -0.79 0.24 0.00 -0.39 0.00 0.00 64.86 64.03 2kmi h ILE 83 Cb 0.79 0.56 -0.07 0.00 -3.07 0.00 0.00 36.82 35.03 2kmi h ILE 83 CO -0.00 0.31 0.65 0.00 -0.69 0.00 0.00 178.15 178.41 2kmi h THR 84 N 0.89 0.59 -0.02 -0.27 1.03 -0.97 -0.75 112.91 113.42 2kmi h THR 84 Ca 0.20 -0.10 -0.01 0.00 -0.01 0.00 0.00 66.41 66.49 2kmi h THR 84 Cb 0.26 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 67.60 2kmi h THR 84 CO -0.01 0.06 -0.03 0.28 -0.01 0.00 0.00 175.52 175.80 2kmi h SER 85 N 0.30 0.06 -0.44 0.00 0.02 -1.59 -3.11 113.55 108.80 2kmi h SER 85 Ca 0.51 -0.58 0.13 0.00 -0.84 0.00 0.00 61.79 61.01 2kmi h SER 85 Cb 1.45 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 2kmi h SER 85 CO -0.17 0.62 0.38 -0.07 -1.14 0.00 0.00 176.83 176.46 2kmi h LEU 86 N -0.50 0.00 -0.76 5.07 3.38 -1.15 -0.86 115.31 120.49 2kmi h LEU 86 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 2kmi h LEU 86 Cb 0.61 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 2kmi h LEU 86 CO 0.01 0.00 0.40 -0.25 0.09 0.00 0.00 178.44 178.69 2kmi h TRP 87 N 0.00 0.73 -0.89 1.13 7.01 -1.30 -1.40 115.95 121.23 2kmi h TRP 87 Ca 0.21 0.03 0.21 0.00 2.11 0.00 0.00 58.89 61.45 2kmi h TRP 87 Cb 0.97 -0.21 -0.12 0.00 -2.10 0.00 0.00 29.16 27.70 2kmi h TRP 87 CO 0.00 0.28 0.38 1.96 -2.79 0.00 0.00 178.44 178.28 2kmi h GLN 88 N 0.68 0.39 -0.03 2.65 4.20 -1.28 -0.85 115.11 120.87 2kmi h GLN 88 Ca 0.37 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2kmi h GLN 88 Cb 0.36 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2kmi h GLN 88 CO -0.26 0.26 -0.04 0.78 -0.67 0.00 0.00 178.83 178.90 2kmi h GLY 89 N 0.40 0.08 0.10 3.46 0.00 -1.41 -3.23 103.07 102.47 2kmi h GLY 89 Ca 0.55 -0.09 0.17 0.00 0.00 0.00 0.00 47.33 47.96 2kmi h GLY 89 CO -0.52 0.08 0.44 0.23 0.00 0.00 0.00 176.54 176.77 2kmi h SER 90 N -0.43 0.49 -0.79 0.19 0.87 -0.85 -0.13 113.55 112.90 2kmi h SER 90 Ca 0.00 0.11 0.16 0.00 -1.23 0.00 0.00 61.79 60.84 2kmi h SER 90 Cb 0.58 0.04 -0.10 0.00 -0.44 0.00 0.00 62.40 62.48 2kmi h SER 90 CO 0.01 0.16 0.31 0.25 -0.53 0.00 0.00 176.83 177.03 2kmi h LEU 91 N 0.57 0.26 -0.11 2.23 6.46 -1.09 0.43 115.31 124.06 2kmi h LEU 91 Ca 0.50 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 58.43 2kmi h LEU 91 Cb 0.79 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 2kmi h LEU 91 CO -0.41 0.06 -0.35 0.15 -0.62 0.00 0.00 178.44 177.27 2kmi h PHE 92 N 0.41 -0.98 0.42 1.25 3.04 -1.09 -3.15 116.94 116.85 2kmi h PHE 92 Ca 0.45 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.42 2kmi h PHE 92 Cb 0.74 0.45 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2kmi h PHE 92 CO -0.17 -0.43 -0.20 -0.97 -2.02 0.00 0.00 178.31 174.52 2kmi h ASN 93 N -0.44 -0.48 -4.04 0.41 -1.24 -1.33 -3.46 115.58 105.00 2kmi h ASN 93 Ca 0.08 -0.06 -0.38 0.00 0.71 0.00 0.00 56.30 56.65 2kmi h ASN 93 Cb 0.58 0.12 -0.28 0.00 0.73 0.00 0.00 38.32 39.47 2kmi h ASN 93 CO -0.35 -0.05 -0.77 0.00 -1.29 0.00 0.00 177.43 174.96 2kmi s ALA 94 N -4.21 0.71 -0.87 1.57 0.00 0.14 -4.01 121.76 115.08 2kmi s ALA 94 Ca -0.11 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 2kmi s ALA 94 Cb 0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 23.12 22.85 2kmi s ALA 94 CO 0.35 0.17 2.19 -0.80 0.00 0.00 0.00 175.76 177.66 2kmi s ASN 95 N -0.26 4.39 -0.21 0.00 0.01 -1.25 -2.97 114.94 114.66 2kmi s ASN 95 Ca 0.03 -0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 51.74 2kmi s ASN 95 Cb -0.04 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2kmi s ASN 95 CO -0.00 -3.47 0.12 0.00 -1.51 0.00 0.00 177.10 172.23 2kmi n TYR 96 N 16.75 -2.20 -3.60 2.20 9.36 -1.26 -4.93 117.16 133.48 2kmi n TYR 96 Ca 0.44 0.96 -0.34 0.00 3.32 0.00 0.00 57.90 62.27 2kmi n TYR 96 Cb 0.45 -2.58 -0.07 0.00 -0.63 0.00 0.00 39.34 36.51 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 0.78 4.18 -3.91 2.98 9.92 -1.26 -5.03 116.55 124.21 2kmi n ASP 97 Ca 0.00 -3.21 -0.11 0.00 -0.53 0.00 0.00 54.79 50.95 2kmi n ASP 97 Cb 0.31 -0.98 -0.12 0.00 -0.64 0.00 0.00 41.12 39.68 2kmi n ASP 97 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2kmi s VAL 98 N -1.65 0.05 -0.06 2.53 -7.23 -1.26 -2.23 120.40 110.55 2kmi s VAL 98 Ca 0.29 -0.45 0.02 0.00 -1.81 0.00 0.00 61.98 60.04 2kmi s VAL 98 Cb -0.03 -0.16 0.01 0.00 0.56 0.00 0.00 36.38 36.76 2kmi s VAL 98 CO -0.10 -0.24 -0.11 -1.58 -0.31 0.00 0.00 175.10 172.76 2kmi s GLN 99 N -0.73 1.50 0.03 4.82 0.74 0.10 -4.90 119.66 121.23 2kmi s GLN 99 Ca -0.08 -0.36 0.05 0.00 0.05 0.00 0.00 55.36 55.02 2kmi s GLN 99 Cb -0.05 -1.27 -0.02 0.00 1.10 0.00 0.00 33.01 32.77 2kmi s GLN 99 CO -0.00 0.03 -0.14 0.50 -0.55 0.00 0.00 175.29 175.12 2kmi s ARG 100 N 0.64 0.97 -0.03 1.67 3.52 -1.11 -0.79 118.95 123.82 2kmi s ARG 100 Ca -0.13 -0.74 -0.06 0.00 -0.13 0.00 0.00 55.73 54.67 2kmi s ARG 100 Cb -0.15 -0.98 0.01 0.00 -1.56 0.00 0.00 34.95 32.27 2kmi s ARG 100 CO 0.03 0.24 0.14 0.12 -0.81 0.00 0.00 175.30 175.03 2kmi s PHE 101 N -0.80 -0.06 -0.07 5.12 5.36 -0.79 -4.40 117.98 122.34 2kmi s PHE 101 Ca 0.02 0.14 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2kmi s PHE 101 Cb -0.08 0.00 0.02 0.00 -0.34 0.00 0.00 43.02 42.63 2kmi s PHE 101 CO 0.01 -0.18 -0.08 0.42 -1.46 0.00 0.00 175.22 173.93 2kmi s ILE 102 N -0.64 0.91 -0.17 3.12 1.01 -1.26 -1.24 121.20 122.94 2kmi s ILE 102 Ca -0.07 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2kmi s ILE 102 Cb -0.04 -0.89 0.08 0.00 0.01 0.00 0.00 42.46 41.61 2kmi s ILE 102 CO 0.01 0.32 0.36 0.68 0.00 0.00 0.00 174.94 176.30 2kmi s VAL 103 N 1.05 -0.46 0.00 2.92 -7.23 -1.12 -5.04 120.40 110.51 2kmi s VAL 103 Ca -0.08 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 2kmi s VAL 103 Cb -0.14 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.22 2kmi s VAL 103 CO -0.01 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 2kmi n GLY 104 N 5.18 1.06 0.71 2.32 0.00 -1.26 -3.11 105.19 110.08 2kmi n GLY 104 Ca -0.10 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.26 2kmi n GLY 104 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kmi n SER 105 N 2.24 2.15 -4.17 1.61 3.41 -1.26 -4.85 113.62 112.74 2kmi n SER 105 Ca 0.00 -1.75 -0.27 0.00 -0.26 0.00 0.00 58.87 56.58 2kmi n SER 105 Cb 0.00 -0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 63.69 2kmi n SER 105 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2kmi s ASP 106 N -1.71 2.40 0.10 4.04 1.47 -1.18 -4.46 116.67 117.34 2kmi s ASP 106 Ca 0.34 -0.39 0.08 0.00 1.18 0.00 0.00 52.55 53.76 2kmi s ASP 106 Cb 0.20 -0.64 -0.04 0.00 -0.34 0.00 0.00 42.92 42.11 2kmi s ASP 106 CO 0.29 0.18 -0.21 0.00 0.68 0.00 0.00 175.17 176.12 2kmi s ARG 107 N -0.05 1.13 0.06 2.11 1.70 -1.21 -2.81 118.95 119.88 2kmi s ARG 107 Ca -0.03 -1.17 0.09 0.00 -0.47 0.00 0.00 55.73 54.15 2kmi s ARG 107 Cb -0.12 -1.40 -0.03 0.00 -0.57 0.00 0.00 34.95 32.83 2kmi s ARG 107 CO 0.02 0.32 -0.26 0.00 -1.08 0.00 0.00 175.30 174.31 2kmi s ALA 108 N -1.18 2.28 -0.01 7.88 0.00 -0.37 -3.13 121.76 127.23 2kmi s ALA 108 Ca 0.07 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.76 2kmi s ALA 108 Cb -0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 2kmi s ALA 108 CO 0.04 0.54 -0.08 -1.50 0.00 0.00 0.00 175.76 174.76 2kmi s ILE 109 N -0.84 0.68 -0.05 0.00 2.07 -0.40 -1.88 121.20 120.78 2kmi s ILE 109 Ca 0.12 -0.35 -0.02 0.00 -1.41 0.00 0.00 60.65 58.99 2kmi s ILE 109 Cb -0.10 -0.58 0.03 0.00 0.13 0.00 0.00 42.46 41.94 2kmi s ILE 109 CO 0.03 0.20 0.05 0.12 -1.91 0.00 0.00 174.94 173.42 2kmi s PHE 110 N -0.08 0.21 -0.05 3.50 5.36 0.03 -2.08 117.98 124.87 2kmi s PHE 110 Ca 0.02 0.14 0.01 0.00 -0.96 0.00 0.00 56.93 56.14 2kmi s PHE 110 Cb -0.05 -0.56 0.02 0.00 -0.34 0.00 0.00 43.02 42.09 2kmi s PHE 110 CO -0.00 -0.23 -0.07 -1.64 -1.46 0.00 0.00 175.22 171.82 2kmi s MET 111 N 2.12 1.09 -0.02 10.12 -1.94 -1.01 0.02 119.30 129.69 2kmi s MET 111 Ca 0.05 -0.20 -0.17 0.00 -1.71 0.00 0.00 55.69 53.67 2kmi s MET 111 Cb -0.12 -1.02 0.03 0.00 2.01 0.00 0.00 34.83 35.73 2kmi s MET 111 CO -0.04 -0.05 0.35 -1.17 -0.01 0.00 0.00 175.02 174.10 2kmi s LEU 112 N 0.86 0.68 0.25 -0.03 0.20 -0.95 -2.90 118.68 116.80 2kmi s LEU 112 Ca -0.12 0.15 0.10 0.00 0.69 0.00 0.00 54.13 54.96 2kmi s LEU 112 Cb -0.15 1.41 0.26 0.00 -0.43 0.00 0.00 46.19 47.28 2kmi s LEU 112 CO 0.01 -0.47 1.55 0.08 -0.29 0.00 0.00 176.35 177.24 2kmi h ARG 113 N 3.76 0.00 0.00 1.98 -0.00 -1.80 -3.35 114.38 114.97 2kmi h ARG 113 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.69 2kmi h ARG 113 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 2kmi h ARG 113 CO 0.40 0.68 0.00 -0.25 -0.00 0.00 0.00 179.97 180.80 2kmi n ASP 114 N -3.71 0.00 0.00 0.08 9.92 -1.26 -1.85 116.55 119.73 2kmi n ASP 114 Ca -0.01 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2kmi n ASP 114 Cb 0.67 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 2kmi n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kmi n GLY 115 N 1.78 2.03 0.45 0.44 0.00 -1.26 -4.75 105.19 103.88 2kmi n GLY 115 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2kmi n GLY 115 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kmi h SER 116 N 0.00 -0.95 0.15 1.61 0.02 -1.95 0.25 113.55 112.67 2kmi h SER 116 Ca 0.00 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 2kmi h SER 116 Cb 0.00 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2kmi h SER 116 CO 0.00 -0.60 -0.46 0.22 -1.14 0.00 0.00 176.83 174.85 2kmi h TYR 117 N -1.29 0.46 0.00 3.45 3.20 -2.02 -2.91 116.97 117.86 2kmi h TYR 117 Ca -0.12 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.52 2kmi h TYR 117 Cb 0.87 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2kmi h TYR 117 CO -0.00 0.78 -0.45 0.00 -1.64 0.00 0.00 178.16 176.84 2kmi h ALA 118 N 1.20 1.24 -0.83 1.82 0.00 -1.91 -2.91 119.26 117.88 2kmi h ALA 118 Ca 0.02 -0.41 0.24 0.00 0.00 0.00 0.00 54.91 54.76 2kmi h ALA 118 Cb 0.93 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2kmi h ALA 118 CO 0.08 0.56 0.60 2.35 0.00 0.00 0.00 179.25 182.84 2kmi h TRP 119 N 0.00 0.00 0.67 0.00 2.91 -0.28 0.26 115.95 119.50 2kmi h TRP 119 Ca -0.00 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 2kmi h TRP 119 Cb 0.81 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.46 2kmi h TRP 119 CO 0.00 0.00 -0.32 0.93 -1.03 0.00 0.00 178.44 178.02 2kmi h GLU 120 N 0.00 -0.86 -0.19 2.65 5.08 -1.66 -2.95 114.58 116.65 2kmi h GLU 120 Ca 0.39 0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.68 2kmi h GLU 120 Cb 1.58 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 2kmi h GLU 120 CO -0.00 -0.54 -0.43 0.82 -1.00 0.00 0.00 179.01 177.85 2kmi h ILE 121 N -1.04 1.31 -0.82 3.13 2.04 -1.48 -2.93 117.51 117.72 2kmi h ILE 121 Ca -0.09 -1.61 0.24 0.00 1.00 0.00 0.00 64.86 64.40 2kmi h ILE 121 Cb 0.72 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2kmi h ILE 121 CO 0.15 0.50 0.59 0.50 0.00 0.00 0.00 178.15 179.89 2kmi h LYS 122 N 0.37 0.02 0.42 2.37 3.11 -0.51 -1.02 116.57 121.33 2kmi h LYS 122 Ca 0.03 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.86 2kmi h LYS 122 Cb 0.91 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.12 2kmi h LYS 122 CO 0.08 0.01 -0.40 0.22 -2.81 0.00 0.00 179.45 176.54 2kmi h ASP 123 N 0.02 -1.10 0.50 4.20 1.82 -1.34 -1.44 116.42 119.08 2kmi h ASP 123 Ca 0.39 0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 57.02 2kmi h ASP 123 Cb 1.55 0.36 -0.01 0.00 0.68 0.00 0.00 39.33 41.91 2kmi h ASP 123 CO -0.01 -0.56 -0.50 0.15 -1.61 0.00 0.00 179.24 176.71 2kmi h PHE 124 N -0.84 0.00 0.31 0.28 3.57 -1.50 -2.56 116.94 116.20 2kmi h PHE 124 Ca -0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2kmi h PHE 124 Cb 0.74 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 2kmi h PHE 124 CO -0.21 0.50 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.00 2kmi h LEU 125 N 0.00 -0.78 -1.15 0.59 3.38 -0.81 -2.46 115.31 114.08 2kmi h LEU 125 Ca -0.00 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 2kmi h LEU 125 Cb 0.88 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2kmi h LEU 125 CO 0.06 -0.42 -0.40 1.62 0.09 0.00 0.00 178.44 179.39 2kmi h VAL 126 N -0.62 1.29 -0.83 1.22 3.04 -1.28 -2.85 116.25 116.21 2kmi h VAL 126 Ca -0.02 -1.40 0.22 0.00 -1.01 0.00 0.00 66.70 64.49 2kmi h VAL 126 Cb 0.56 1.73 -0.04 0.00 -2.01 0.00 0.00 31.29 31.53 2kmi h VAL 126 CO -0.05 0.40 0.58 -1.28 -1.01 0.00 0.00 177.57 176.22 2kmi h SER 127 N 0.04 0.12 -0.28 3.17 0.87 -1.01 -0.77 113.55 115.69 2kmi h SER 127 Ca 0.00 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 2kmi h SER 127 Cb 0.73 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.64 2kmi h SER 127 CO 0.05 0.05 0.02 1.56 -0.53 0.00 0.00 176.83 177.98 2kmi h GLN 128 N 0.12 0.11 -0.66 2.24 1.08 -1.36 -3.45 115.11 113.18 2kmi h GLN 128 Ca 0.41 -0.01 -0.29 0.00 -1.45 0.00 0.00 58.65 57.32 2kmi h GLN 128 Cb 1.42 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.72 2kmi h GLN 128 CO -0.06 0.07 -0.26 -3.47 -0.95 0.00 0.00 178.83 174.16 2kmi n ASP 129 N -5.13 -5.18 -2.67 1.46 2.03 -0.30 -4.78 116.55 101.98 2kmi n ASP 129 Ca -0.00 0.35 -0.04 0.00 0.52 0.00 0.00 54.79 55.61 2kmi n ASP 129 Cb 0.14 -3.90 0.10 0.00 -0.72 0.00 0.00 41.12 36.73 2kmi n ASP 129 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kmi n ARG 130 N -1.93 0.24 -3.75 -0.67 0.63 -0.49 -4.63 116.66 106.06 2kmi n ARG 130 Ca -0.14 -0.86 -0.13 0.00 -0.92 0.00 0.00 57.85 55.80 2kmi n ARG 130 Cb 0.54 -0.32 -0.10 0.00 0.45 0.00 0.00 32.46 33.03 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 0.03 2.24 -0.07 0.00 0.00 -1.26 -2.01 121.76 120.69 2kmi s ALA 132 Ca -0.01 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 2kmi s ALA 132 Cb -0.03 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.17 2kmi s ALA 132 CO 0.01 0.07 0.32 -1.21 0.00 0.00 0.00 175.76 174.96 2kmi s GLU 133 N 0.66 0.54 -0.16 0.00 2.02 0.93 -4.02 118.70 118.67 2kmi s GLU 133 Ca -0.11 0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.93 2kmi s GLU 133 Cb -0.16 0.25 0.06 0.00 0.10 0.00 0.00 34.13 34.38 2kmi s GLU 133 CO 0.02 -0.12 0.36 0.54 0.02 0.00 0.00 175.26 176.08 2kmi s VAL 134 N -0.61 -0.21 -0.12 2.63 0.11 0.84 -1.62 120.40 121.43 2kmi s VAL 134 Ca -0.07 0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 2kmi s VAL 134 Cb -0.04 -0.55 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2kmi s VAL 134 CO 0.02 0.06 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.90 2kmi s THR 135 N 1.76 0.99 -0.04 5.04 2.01 -0.65 -4.08 115.64 120.67 2kmi s THR 135 Ca -0.06 -0.30 -0.15 0.00 0.31 0.00 0.00 61.69 61.48 2kmi s THR 135 Cb -0.10 -1.04 0.03 0.00 0.01 0.00 0.00 72.50 71.40 2kmi s THR 135 CO -0.11 0.33 0.34 -1.48 -0.69 0.00 0.00 174.62 173.01 2kmi s LEU 136 N 1.72 0.71 -0.17 4.42 0.05 -1.26 -3.17 118.68 120.97 2kmi s LEU 136 Ca 0.05 0.27 -0.04 0.00 0.05 0.00 0.00 54.13 54.45 2kmi s LEU 136 Cb -0.13 1.34 0.08 0.00 -2.05 0.00 0.00 46.19 45.43 2kmi s LEU 136 CO -0.08 -0.38 0.20 -0.70 -0.55 0.00 0.00 176.35 174.84 2kmi s GLU 137 N -0.98 0.15 0.00 1.48 2.56 -1.26 -5.00 118.70 115.65 2kmi s GLU 137 Ca -0.10 0.31 0.30 0.00 0.00 0.00 0.00 54.97 55.47 2kmi s GLU 137 Cb -0.04 -0.96 1.76 0.00 2.00 0.00 0.00 34.13 36.88 2kmi s GLU 137 CO 0.04 -0.55 2.11 0.41 -0.56 0.00 0.00 175.26 176.71 2kmi n GLY 138 N 5.32 -0.98 3.45 -1.50 0.00 -1.26 -3.46 105.19 106.77 2kmi n GLY 138 Ca -0.05 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.07 0.98 -1.36 1.61 0.74 -1.26 -4.66 119.66 113.65 2kmi s GLN 139 Ca 0.43 0.14 -0.01 0.00 0.05 0.00 0.00 55.36 55.97 2kmi s GLN 139 Cb 0.21 0.46 0.00 0.00 1.10 0.00 0.00 33.01 34.77 2kmi s GLN 139 CO 0.36 -0.30 0.17 -1.33 -0.55 0.00 0.00 175.29 173.64 2kmi n MET 140 N 0.96 -2.24 -2.66 1.67 2.81 -1.26 -4.78 117.12 111.62 2kmi n MET 140 Ca -0.20 0.78 -0.04 0.00 -1.81 0.00 0.00 57.70 56.43 2kmi n MET 140 Cb 0.57 -5.22 0.09 0.00 -0.71 0.00 0.00 33.22 27.95 2kmi n MET 140 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2kmi n TYR 141 N -4.10 -0.50 -1.20 2.03 4.19 -1.25 -0.05 117.16 116.29 2kmi n TYR 141 Ca -0.16 -0.72 -0.29 0.00 3.31 0.00 0.00 57.90 60.03 2kmi n TYR 141 Cb 0.63 1.13 0.15 0.00 0.49 0.00 0.00 39.34 41.73 2kmi n TYR 141 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 2kmi s PRO 142 N 0.08 1.08 0.00 2.98 0.04 -1.26 -2.64 135.00 135.28 2kmi s PRO 142 Ca 0.24 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2kmi s PRO 142 Cb 0.24 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.99 2kmi s PRO 142 CO -0.13 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 174.98 2kmi n GLY 143 N -1.12 0.00 3.27 0.56 0.00 -0.82 -4.61 105.19 102.47 2kmi n GLY 143 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2kmi n GLY 143 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmi s LYS 144 N -1.87 1.50 0.00 1.61 -2.85 -1.26 -4.27 119.74 112.60 2kmi s LYS 144 Ca 0.00 -1.84 0.23 0.00 -1.00 0.00 0.00 55.97 53.36 2kmi s LYS 144 Cb 0.00 0.16 1.37 0.00 -2.06 0.00 0.00 37.83 37.30 2kmi s LYS 144 CO 0.00 -0.49 1.74 0.41 0.10 0.00 0.00 175.35 177.12