#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcd n THR 2 N 0.00 0.00 -0.24 2.03 -1.04 -1.26 -4.35 114.28 109.43 2kcd n THR 2 Ca 0.00 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.05 61.78 2kcd n THR 2 Cb 0.00 0.71 0.04 0.00 -1.82 0.00 0.00 70.33 69.26 2kcd n THR 2 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kcd h LEU 3 N 0.00 0.97 -0.32 -4.42 3.38 -2.03 0.92 115.31 113.81 2kcd h LEU 3 Ca 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2kcd h LEU 3 Cb 0.61 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kcd h LEU 3 CO 0.00 0.93 0.09 -0.08 0.09 0.00 0.00 178.44 179.47 2kcd h GLU 4 N 0.97 0.51 -0.62 1.13 4.57 -2.00 0.67 114.58 119.81 2kcd h GLU 4 Ca 0.21 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2kcd h GLU 4 Cb 0.31 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2kcd h GLU 4 CO -0.01 0.56 0.14 -0.07 -1.18 0.00 0.00 179.01 178.46 2kcd h LEU 5 N 0.37 0.94 -0.39 1.64 3.38 -1.72 -1.26 115.31 118.27 2kcd h LEU 5 Ca 0.10 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2kcd h LEU 5 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kcd h LEU 5 CO -0.00 0.94 0.05 -0.61 0.09 0.00 0.00 178.44 178.91 2kcd h GLN 6 N 0.91 0.65 -0.58 1.13 5.75 -0.59 -1.22 115.11 121.16 2kcd h GLN 6 Ca 0.19 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 2kcd h GLN 6 Cb 0.37 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 2kcd h GLN 6 CO 0.00 0.72 0.13 1.25 -2.65 0.00 0.00 178.83 178.29 2kcd h LEU 7 N 0.49 0.89 -0.46 -2.39 5.85 -0.72 -1.49 115.31 117.48 2kcd h LEU 7 Ca 0.12 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2kcd h LEU 7 Cb 0.39 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2kcd h LEU 7 CO 0.01 0.89 0.20 0.50 -0.34 0.00 0.00 178.44 179.70 2kcd h LYS 8 N 0.84 0.67 -0.57 1.25 3.64 -1.09 -0.62 116.57 120.70 2kcd h LYS 8 Ca 0.18 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2kcd h LYS 8 Cb 0.36 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 2kcd h LYS 8 CO 0.00 0.60 0.31 1.25 -2.27 0.00 0.00 179.45 179.34 2kcd h HIS 9 N 0.60 0.78 -0.18 1.91 2.76 -1.01 0.23 115.15 120.22 2kcd h HIS 9 Ca 0.15 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2kcd h HIS 9 Cb 0.16 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 2kcd h HIS 9 CO -0.00 0.56 0.07 -0.92 -1.30 0.00 0.00 177.93 176.35 2kcd h TYR 10 N 0.76 0.27 -0.41 5.26 3.20 -0.98 0.24 116.97 125.31 2kcd h TYR 10 Ca 0.20 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 2kcd h TYR 10 Cb 0.04 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2kcd h TYR 10 CO -0.01 0.33 0.08 0.82 -1.64 0.00 0.00 178.16 177.73 2kcd h ILE 11 N 0.14 1.24 -0.37 1.81 2.04 -0.90 0.11 117.51 121.57 2kcd h ILE 11 Ca 0.06 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.99 2kcd h ILE 11 Cb 0.17 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2kcd h ILE 11 CO -0.01 0.29 -0.12 0.71 0.00 0.00 0.00 178.15 179.03 2kcd h THR 12 N 0.53 1.28 -0.50 -0.27 1.35 -0.43 -1.39 112.91 113.48 2kcd h THR 12 Ca 0.13 -1.21 -0.11 0.00 -0.55 0.00 0.00 66.41 64.66 2kcd h THR 12 Cb 0.35 1.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2kcd h THR 12 CO 0.01 0.40 -0.13 -1.13 -0.25 0.00 0.00 175.52 174.41 2kcd h ASN 13 N 0.54 0.98 -0.52 5.36 -0.73 -0.44 2.32 115.58 123.10 2kcd h ASN 13 Ca 0.09 -0.37 -0.03 0.00 1.87 0.00 0.00 56.30 57.86 2kcd h ASN 13 Cb 0.64 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2kcd h ASN 13 CO 0.04 1.12 0.20 0.25 -0.37 0.00 0.00 177.43 178.68 2kcd h LEU 14 N 0.83 0.73 -1.88 0.34 5.85 -0.69 -2.74 115.31 117.75 2kcd h LEU 14 Ca 0.13 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kcd h LEU 14 Cb 0.70 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2kcd h LEU 14 CO 0.05 0.71 0.00 0.49 -0.34 0.00 0.00 178.44 179.35 2kcd n PHE 15 N -4.52 0.08 -3.76 1.25 3.72 -0.53 -4.95 117.46 108.75 2kcd n PHE 15 Ca 0.02 -0.04 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 2kcd n PHE 15 Cb 0.16 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.75 2kcd n PHE 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kcd n ASN 16 N 1.24 -4.43 -4.86 4.37 2.85 0.74 -4.96 115.26 110.20 2kcd n ASN 16 Ca 0.15 -0.71 -0.34 0.00 -0.11 0.00 0.00 54.58 53.58 2kcd n ASN 16 Cb 0.57 -4.33 -0.06 0.00 1.24 0.00 0.00 39.78 37.21 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kcd s LEU 17 N -7.12 4.27 0.41 1.20 1.43 0.12 -4.97 118.68 114.01 2kcd s LEU 17 Ca 0.48 0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 54.28 2kcd s LEU 17 Cb -0.23 -3.40 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 2kcd s LEU 17 CO 0.79 0.04 1.24 -2.16 0.23 0.00 0.00 176.35 176.50 2kcd s PRO 18 N -2.32 3.98 0.00 1.29 0.04 -1.26 -4.70 135.00 132.04 2kcd s PRO 18 Ca 0.41 2.01 0.21 0.00 0.04 0.00 0.00 61.00 63.68 2kcd s PRO 18 Cb -0.13 -2.71 0.59 0.00 0.04 0.00 0.00 34.50 32.29 2kcd s PRO 18 CO 0.20 -0.43 1.47 0.54 0.04 0.00 0.00 177.00 178.82 2kcd n ARG 19 N 0.08 2.05 -0.01 4.56 1.74 -1.26 -3.91 116.66 119.91 2kcd n ARG 19 Ca 0.04 -1.58 0.13 0.00 -0.77 0.00 0.00 57.85 55.67 2kcd n ARG 19 Cb 0.45 -1.44 0.66 0.00 -1.02 0.00 0.00 32.46 31.11 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2kcd n ASP 20 N 0.81 0.59 -4.59 0.55 5.75 -1.26 -4.74 116.55 113.66 2kcd n ASP 20 Ca 0.17 -1.34 -0.38 0.00 -0.01 0.00 0.00 54.79 53.23 2kcd n ASP 20 Cb 0.44 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.40 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2kcd s GLU 21 N -1.97 3.94 0.12 0.11 2.56 -1.25 -5.06 118.70 117.16 2kcd s GLU 21 Ca 0.38 -0.31 -0.30 0.00 0.00 0.00 0.00 54.97 54.74 2kcd s GLU 21 Cb 0.18 -3.66 -0.07 0.00 2.00 0.00 0.00 34.13 32.58 2kcd s GLU 21 CO 0.30 -0.19 1.22 0.21 -0.56 0.00 0.00 175.26 176.24 2kcd s LYS 22 N 1.78 4.44 0.16 4.30 2.20 -1.26 -5.02 119.74 126.34 2kcd s LYS 22 Ca 0.07 1.86 -0.07 0.00 -0.36 0.00 0.00 55.97 57.47 2kcd s LYS 22 Cb -0.16 -3.29 -0.06 0.00 -1.51 0.00 0.00 37.83 32.81 2kcd s LYS 22 CO 0.11 -0.21 0.43 -1.58 -0.36 0.00 0.00 175.35 173.75 2kcd s TRP 23 N 0.59 3.47 -0.23 4.03 0.52 -1.26 -4.79 118.94 121.27 2kcd s TRP 23 Ca 0.57 0.68 -0.06 0.00 0.02 0.00 0.00 56.10 57.32 2kcd s TRP 23 Cb -0.32 -2.10 -0.02 0.00 -1.15 0.00 0.00 33.47 29.88 2kcd s TRP 23 CO 0.32 0.39 0.02 -2.00 0.02 0.00 0.00 176.95 175.70 2kcd s GLU 24 N -2.62 3.55 0.05 4.98 2.12 -0.98 -4.96 118.70 120.84 2kcd s GLU 24 Ca 0.42 -0.54 -0.14 0.00 0.36 0.00 0.00 54.97 55.08 2kcd s GLU 24 Cb -0.12 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 2kcd s GLU 24 CO 0.23 -0.16 0.45 0.00 -0.54 0.00 0.00 175.26 175.23 2kcd s GLU 26 N -1.47 0.21 0.00 0.00 2.12 -0.84 -5.00 118.70 113.73 2kcd s GLU 26 Ca 0.29 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 54.81 2kcd s GLU 26 Cb -0.16 -1.16 -0.05 0.00 0.26 0.00 0.00 34.13 33.03 2kcd s GLU 26 CO 0.16 -1.03 0.77 -1.54 -0.54 0.00 0.00 175.26 173.08 2kcd s SER 27 N 2.06 7.15 -0.11 -1.70 1.04 -1.26 -2.45 113.70 118.43 2kcd s SER 27 Ca 0.09 1.38 -0.08 0.00 0.48 0.00 0.00 55.95 57.83 2kcd s SER 27 Cb -0.16 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.53 2kcd s SER 27 CO -0.35 -0.06 0.27 -0.51 0.98 0.00 0.00 173.24 173.57 2kcd s ILE 28 N 0.36 -0.01 -0.20 -1.02 1.10 -0.45 -4.96 121.20 116.02 2kcd s ILE 28 Ca 0.40 0.05 -0.28 0.00 -0.51 0.00 0.00 60.65 60.30 2kcd s ILE 28 Cb -0.20 -0.40 0.00 0.00 0.15 0.00 0.00 42.46 42.02 2kcd s ILE 28 CO 0.22 0.02 0.99 -1.61 -2.11 0.00 0.00 174.94 172.45 2kcd s GLU 29 N 0.55 4.29 0.09 3.50 2.02 -1.26 -0.07 118.70 127.82 2kcd s GLU 29 Ca -0.03 1.29 -0.09 0.00 0.02 0.00 0.00 54.97 56.16 2kcd s GLU 29 Cb -0.05 -3.61 -0.00 0.00 0.10 0.00 0.00 34.13 30.57 2kcd s GLU 29 CO -0.03 -0.52 0.20 -2.00 0.02 0.00 0.00 175.26 172.92 2kcd s GLU 30 N 2.82 0.87 0.31 1.61 2.12 -1.09 -4.93 118.70 120.40 2kcd s GLU 30 Ca 0.43 -0.97 -0.29 0.00 0.36 0.00 0.00 54.97 54.50 2kcd s GLU 30 Cb -0.16 0.35 -0.10 0.00 0.26 0.00 0.00 34.13 34.47 2kcd s GLU 30 CO 0.09 -0.28 1.38 0.08 -0.54 0.00 0.00 175.26 175.99 2kcd s VAL 31 N -3.87 2.59 0.28 3.70 1.01 -1.26 -1.76 120.40 121.09 2kcd s VAL 31 Ca 0.06 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 2kcd s VAL 31 Cb 0.05 -3.36 0.26 0.00 0.00 0.00 0.00 36.38 33.33 2kcd s VAL 31 CO -0.10 0.12 1.95 0.00 0.00 0.00 0.00 175.10 177.07 2kcd h ALA 32 N 3.83 1.36 0.00 5.51 0.00 -1.69 -0.79 119.26 127.47 2kcd h ALA 32 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kcd h ALA 32 Cb 1.23 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2kcd h ALA 32 CO 0.69 0.60 0.00 -0.25 0.00 0.00 0.00 179.25 180.29 2kcd n ASP 33 N -4.40 0.00 0.00 0.00 8.00 -1.26 -0.56 116.55 118.34 2kcd n ASP 33 Ca 0.10 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2kcd n ASP 33 Cb 0.02 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 2kcd n ASP 33 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2kcd n ASP 34 N -1.38 0.00 -0.39 -2.24 2.03 -0.30 -4.21 116.55 110.05 2kcd n ASP 34 Ca 0.01 0.37 0.14 0.00 0.52 0.00 0.00 54.79 55.83 2kcd n ASP 34 Cb 0.02 -0.18 0.55 0.00 -0.72 0.00 0.00 41.12 40.79 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2kcd n ILE 35 N -1.05 0.00 -3.82 5.18 -0.00 -1.22 -4.62 119.36 113.83 2kcd n ILE 35 Ca 0.00 -0.21 -0.34 0.00 -0.00 0.00 0.00 62.75 62.20 2kcd n ILE 35 Cb 0.00 0.37 -0.12 0.00 -0.00 0.00 0.00 39.64 39.89 2kcd n ILE 35 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 2kcd s LEU 36 N -2.08 5.02 0.31 7.28 1.98 0.28 -5.09 118.68 126.39 2kcd s LEU 36 Ca 0.37 -2.49 -0.27 0.00 -2.89 0.00 0.00 54.13 48.85 2kcd s LEU 36 Cb 0.21 -1.78 -0.13 0.00 0.66 0.00 0.00 46.19 45.15 2kcd s LEU 36 CO 0.37 -0.41 1.03 -2.65 -1.89 0.00 0.00 176.35 172.80 2kcd n PRO 37 N 3.93 1.43 0.00 0.98 -0.02 -1.26 -4.14 135.00 135.92 2kcd n PRO 37 Ca 0.03 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2kcd n PRO 37 Cb 0.39 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kcd n ASP 38 N 1.08 0.00 0.00 2.55 8.00 -1.26 -1.71 116.55 125.21 2kcd n ASP 38 Ca 0.09 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2kcd n ASP 38 Cb 0.33 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2kcd n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kcd n GLN 39 N -1.25 0.00 0.00 -1.24 6.02 -1.26 -1.48 117.38 118.17 2kcd n GLN 39 Ca 0.00 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2kcd n GLN 39 Cb 0.19 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.89 2kcd n GLN 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2kcd n TYR 40 N -1.37 0.00 -0.08 1.08 4.01 -0.70 -4.83 117.16 115.26 2kcd n TYR 40 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2kcd n TYR 40 Cb 0.06 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2kcd n TYR 40 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2kcd n VAL 41 N 0.00 0.00 -0.36 -0.72 0.31 -0.74 -4.53 118.33 112.29 2kcd n VAL 41 Ca 0.00 -0.42 0.01 0.00 -0.01 0.00 0.00 64.34 63.92 2kcd n VAL 41 Cb 0.48 1.08 0.07 0.00 -0.91 0.00 0.00 33.84 34.56 2kcd n VAL 41 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 2kcd h ARG 42 N 0.00 -0.01 0.03 5.55 0.11 -1.57 -2.80 114.38 115.69 2kcd h ARG 42 Ca 0.00 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.70 2kcd h ARG 42 Cb 0.04 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.07 2kcd h ARG 42 CO 0.00 -0.01 -2.23 1.28 0.10 0.00 0.00 179.97 179.11 2kcd n LEU 43 N -5.51 2.49 -4.14 0.08 4.32 -1.26 -4.89 117.00 108.09 2kcd n LEU 43 Ca 0.11 0.14 -0.46 0.00 -0.02 0.00 0.00 56.01 55.78 2kcd n LEU 43 Cb 0.42 -0.94 -0.13 0.00 -1.62 0.00 0.00 43.42 41.15 2kcd n LEU 43 CO -0.12 0.74 1.91 0.61 -1.22 0.00 0.00 177.39 179.31 2kcd n GLY 44 N 1.83 -0.33 0.00 -0.72 0.00 -1.06 -4.63 105.19 100.28 2kcd n GLY 44 Ca -0.43 1.08 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2kcd n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kcd n PRO 45 N 7.62 0.00 0.00 1.61 -0.02 -1.26 -1.33 135.00 141.61 2kcd n PRO 45 Ca 0.58 0.07 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2kcd n PRO 45 Cb 0.00 -1.55 0.52 0.00 -0.02 0.00 0.00 33.50 32.46 2kcd n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcd n LEU 46 N -0.91 0.00 -0.19 2.45 4.77 -1.26 -3.30 117.00 118.55 2kcd n LEU 46 Ca 0.00 0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 2kcd n LEU 46 Cb 0.05 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2kcd n LEU 46 CO 0.00 -0.02 1.04 0.77 -1.33 0.00 0.00 177.39 177.86 2kcd h SER 47 N 0.00 0.70 -0.33 -1.43 4.64 -1.45 -2.39 113.55 113.28 2kcd h SER 47 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2kcd h SER 47 Cb 0.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2kcd h SER 47 CO 0.00 0.59 0.00 0.59 -0.87 0.00 0.00 176.83 177.14 2kcd n ASN 48 N -4.61 2.85 -4.84 4.97 3.02 -1.21 -4.25 115.26 111.19 2kcd n ASN 48 Ca 0.03 -1.91 -0.38 0.00 -0.03 0.00 0.00 54.58 52.29 2kcd n ASN 48 Cb 0.09 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 38.98 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2kcd s LYS 49 N -1.57 3.90 -0.43 3.52 2.47 -0.90 -5.00 119.74 121.73 2kcd s LYS 49 Ca 0.36 0.39 -0.20 0.00 -1.56 0.00 0.00 55.97 54.97 2kcd s LYS 49 Cb 0.21 -3.20 0.02 0.00 -1.46 0.00 0.00 37.83 33.40 2kcd s LYS 49 CO 0.29 0.68 0.58 0.42 0.16 0.00 0.00 175.35 177.48 2kcd s ILE 50 N -1.11 4.91 -0.01 5.43 1.01 -1.26 -2.74 121.20 127.43 2kcd s ILE 50 Ca 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 2kcd s ILE 50 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2kcd s ILE 50 CO 0.14 -0.52 0.10 -0.76 0.00 0.00 0.00 174.94 173.89 2kcd s LEU 51 N 2.60 3.98 -0.11 2.97 1.02 -0.72 -4.82 118.68 123.59 2kcd s LEU 51 Ca 0.19 0.19 -0.29 0.00 0.02 0.00 0.00 54.13 54.24 2kcd s LEU 51 Cb -0.15 -2.30 -0.05 0.00 0.02 0.00 0.00 46.19 43.71 2kcd s LEU 51 CO 0.17 0.28 1.69 -1.58 0.02 0.00 0.00 176.35 176.93 2kcd s GLN 52 N -1.72 3.99 -0.35 1.70 2.00 -0.97 -2.69 119.66 121.62 2kcd s GLN 52 Ca 0.23 2.03 -0.15 0.00 -2.00 0.00 0.00 55.36 55.47 2kcd s GLN 52 Cb -0.12 -4.03 -0.01 0.00 0.80 0.00 0.00 33.01 29.64 2kcd s GLN 52 CO 0.14 -1.07 0.35 0.99 -0.50 0.00 0.00 175.29 175.20 2kcd s THR 53 N 4.69 5.18 -0.50 -0.34 2.01 0.90 -2.19 115.64 125.39 2kcd s THR 53 Ca 0.75 0.00 -0.13 0.00 0.31 0.00 0.00 61.69 62.63 2kcd s THR 53 Cb -0.31 -3.82 0.12 0.00 0.01 0.00 0.00 72.50 68.50 2kcd s THR 53 CO 0.30 -0.10 0.42 0.21 -0.69 0.00 0.00 174.62 174.76 2kcd s ASN 54 N 1.73 5.94 -0.09 3.53 3.84 -0.60 -1.33 114.94 127.96 2kcd s ASN 54 Ca 0.11 -1.82 -0.14 0.00 0.21 0.00 0.00 52.86 51.22 2kcd s ASN 54 Cb -0.17 -2.11 -0.05 0.00 -0.55 0.00 0.00 41.25 38.38 2kcd s ASN 54 CO 0.12 -0.76 0.35 -0.89 -2.79 0.00 0.00 177.10 173.12 2kcd s THR 55 N 1.48 5.20 -0.16 -5.21 2.01 -1.03 -2.28 115.64 115.66 2kcd s THR 55 Ca 0.04 0.69 -0.06 0.00 0.31 0.00 0.00 61.69 62.67 2kcd s THR 55 Cb -0.28 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2kcd s THR 55 CO 0.01 0.48 0.05 -0.31 -0.69 0.00 0.00 174.62 174.16 2kcd s TYR 56 N -0.27 3.24 -0.21 4.92 1.51 -0.97 -1.98 117.35 123.59 2kcd s TYR 56 Ca 0.21 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 2kcd s TYR 56 Cb -0.15 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2kcd s TYR 56 CO 0.09 0.21 -0.17 0.71 -1.11 0.00 0.00 175.55 175.28 2kcd s TYR 57 N 0.12 2.95 0.08 2.71 2.02 -0.34 -4.35 117.35 120.54 2kcd s TYR 57 Ca 0.04 -1.87 0.01 0.00 -0.37 0.00 0.00 57.07 54.88 2kcd s TYR 57 Cb -0.12 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2kcd s TYR 57 CO 0.01 -0.83 -0.06 -1.12 -1.57 0.00 0.00 175.55 171.98 2kcd s SER 58 N 1.23 0.97 0.16 2.29 0.01 -1.26 -2.32 113.70 114.77 2kcd s SER 58 Ca 0.00 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 56.19 2kcd s SER 58 Cb -0.15 0.10 0.04 0.00 0.21 0.00 0.00 66.02 66.22 2kcd s SER 58 CO -0.10 -0.45 1.77 -0.78 0.41 0.00 0.00 173.24 174.09 2kcd h ASP 59 N 3.26 0.59 -0.30 2.44 1.82 -1.97 0.64 116.42 122.91 2kcd h ASP 59 Ca -0.35 -0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.15 2kcd h ASP 59 Cb 1.17 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.02 2kcd h ASP 59 CO 0.61 0.50 -0.05 0.71 -1.61 0.00 0.00 179.24 179.41 2kcd h THR 60 N 0.63 1.27 -0.53 2.25 1.35 -1.96 -1.35 112.91 114.57 2kcd h THR 60 Ca 0.17 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.94 2kcd h THR 60 Cb 0.04 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 67.80 2kcd h THR 60 CO -0.03 0.34 0.18 -0.07 -0.25 0.00 0.00 175.52 175.69 2kcd h LEU 61 N 0.33 0.76 -0.50 3.87 3.38 -1.81 0.38 115.31 121.72 2kcd h LEU 61 Ca 0.08 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2kcd h LEU 61 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2kcd h LEU 61 CO 0.02 0.75 -0.05 -0.74 0.09 0.00 0.00 178.44 178.52 2kcd h HIS 62 N 0.73 1.00 -0.58 1.13 2.76 -0.84 0.38 115.15 119.73 2kcd h HIS 62 Ca 0.17 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 2kcd h HIS 62 Cb 0.25 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 2kcd h HIS 62 CO 0.01 0.95 0.20 -0.22 -1.30 0.00 0.00 177.93 177.57 2kcd h LYS 63 N 0.76 0.89 0.00 5.26 3.64 -1.03 -1.04 116.57 125.05 2kcd h LYS 63 Ca 0.13 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kcd h LYS 63 Cb 0.58 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2kcd h LYS 63 CO 0.03 0.79 0.00 0.43 -2.27 0.00 0.00 179.45 178.44 2kcd n SER 64 N -4.44 0.00 -3.22 4.20 7.64 0.10 -4.87 113.62 113.03 2kcd n SER 64 Ca 0.03 -0.47 -0.21 0.00 1.01 0.00 0.00 58.87 59.23 2kcd n SER 64 Cb 0.19 -0.14 0.07 0.00 -1.01 0.00 0.00 64.21 63.33 2kcd n SER 64 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kcd n ASN 65 N -1.14 -5.57 -4.24 6.43 5.15 -0.28 -4.61 115.26 111.01 2kcd n ASN 65 Ca 0.16 -0.48 -0.32 0.00 -0.60 0.00 0.00 54.58 53.34 2kcd n ASN 65 Cb 0.15 -4.50 -0.17 0.00 -0.53 0.00 0.00 39.78 34.72 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kcd s ILE 66 N -3.28 2.07 -0.54 -1.44 1.01 0.12 -3.79 121.20 115.34 2kcd s ILE 66 Ca 0.48 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2kcd s ILE 66 Cb -0.21 -1.77 0.14 0.00 0.01 0.00 0.00 42.46 40.63 2kcd s ILE 66 CO 0.64 0.56 0.31 -0.31 0.00 0.00 0.00 174.94 176.14 2kcd s TYR 67 N 0.14 2.96 0.48 3.97 2.02 -1.06 -4.24 117.35 121.62 2kcd s TYR 67 Ca -0.13 -3.04 -0.24 0.00 -0.37 0.00 0.00 57.07 53.30 2kcd s TYR 67 Cb -0.16 -2.56 -0.07 0.00 -0.40 0.00 0.00 41.96 38.77 2kcd s TYR 67 CO 0.07 -0.71 1.35 -2.14 -1.57 0.00 0.00 175.55 172.55 2kcd s PRO 68 N -0.40 3.52 -0.06 -1.71 0.02 -1.26 -2.70 135.00 132.40 2kcd s PRO 68 Ca 0.19 2.24 -0.09 0.00 0.02 0.00 0.00 61.00 63.36 2kcd s PRO 68 Cb -0.20 -2.49 0.02 0.00 0.02 0.00 0.00 34.50 31.85 2kcd s PRO 68 CO -0.04 -0.89 0.23 -0.59 -0.33 0.00 0.00 177.00 175.38 2kcd s PHE 69 N -1.29 -0.19 0.00 6.54 -0.12 -0.61 -2.30 117.98 120.02 2kcd s PHE 69 Ca 0.65 0.43 0.02 0.00 -0.05 0.00 0.00 56.93 57.98 2kcd s PHE 69 Cb -0.40 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.05 2kcd s PHE 69 CO 0.50 -0.21 -0.07 0.42 -0.05 0.00 0.00 175.22 175.81 2kcd s ILE 70 N -0.42 0.54 -0.18 -4.49 1.01 -0.97 -2.74 121.20 113.95 2kcd s ILE 70 Ca -0.05 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 2kcd s ILE 70 Cb -0.04 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 2kcd s ILE 70 CO 0.01 0.06 0.03 -0.76 0.00 0.00 0.00 174.94 174.29 2kcd s LEU 71 N -0.40 3.62 0.04 2.97 1.43 -1.03 -1.56 118.68 123.75 2kcd s LEU 71 Ca 0.01 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 2kcd s LEU 71 Cb -0.04 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2kcd s LEU 71 CO -0.00 0.16 -0.22 -0.31 0.23 0.00 0.00 176.35 176.21 2kcd s TYR 72 N 0.46 1.93 -0.30 0.29 2.02 -0.93 -2.38 117.35 118.45 2kcd s TYR 72 Ca 0.01 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 2kcd s TYR 72 Cb -0.13 -1.17 0.12 0.00 -0.40 0.00 0.00 41.96 40.38 2kcd s TYR 72 CO 0.01 0.08 0.22 -0.47 -1.57 0.00 0.00 175.55 173.83 2kcd s TYR 73 N -0.76 -0.03 -0.86 2.71 5.04 -0.44 -2.30 117.35 120.70 2kcd s TYR 73 Ca 0.08 -0.61 -0.04 0.00 -2.44 0.00 0.00 57.07 54.06 2kcd s TYR 73 Cb -0.09 -0.68 -0.01 0.00 0.35 0.00 0.00 41.96 41.52 2kcd s TYR 73 CO 0.01 -0.88 0.74 0.94 -1.34 0.00 0.00 175.55 175.03 2kcd n GLN 74 N 5.15 -1.52 -4.02 4.97 0.00 -1.26 -2.27 117.38 118.43 2kcd n GLN 74 Ca -0.02 1.15 -0.33 0.00 -0.00 0.00 0.00 57.00 57.79 2kcd n GLN 74 Cb 0.44 -5.10 -0.02 0.00 0.00 0.00 0.00 30.24 25.56 2kcd n GLN 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2kcd n LYS 75 N -2.47 -3.35 -3.67 3.69 5.02 -1.26 -4.92 118.16 111.20 2kcd n LYS 75 Ca -0.07 0.40 -0.21 0.00 -2.02 0.00 0.00 58.31 56.41 2kcd n LYS 75 Cb 0.56 -5.14 -0.18 0.00 -0.02 0.00 0.00 35.03 30.26 2kcd n LYS 75 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2kcd s GLN 76 N -6.71 -0.03 0.17 1.97 -0.44 -0.96 -5.12 119.66 108.53 2kcd s GLN 76 Ca 0.67 0.31 -0.31 0.00 -2.50 0.00 0.00 55.36 53.53 2kcd s GLN 76 Cb -0.36 -0.71 -0.09 0.00 -1.64 0.00 0.00 33.01 30.21 2kcd s GLN 76 CO 0.82 -0.37 1.42 -1.17 0.50 0.00 0.00 175.29 176.49 2kcd s LEU 77 N 2.16 4.38 -0.16 3.68 2.96 -1.26 -1.33 118.68 129.11 2kcd s LEU 77 Ca 0.05 2.47 -0.01 0.00 -0.22 0.00 0.00 54.13 56.42 2kcd s LEU 77 Cb -0.13 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2kcd s LEU 77 CO -0.04 -0.67 -0.16 -0.38 -1.32 0.00 0.00 176.35 173.78 2kcd n ILE 78 N 3.35 0.91 -3.50 6.68 2.08 -1.00 -4.91 119.36 122.97 2kcd n ILE 78 Ca 0.10 -0.32 -0.09 0.00 0.56 0.00 0.00 62.75 62.99 2kcd n ILE 78 Cb 0.41 -1.19 -0.02 0.00 -0.75 0.00 0.00 39.64 38.09 2kcd n ILE 78 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kcd s ALA 79 N -2.31 -1.80 -0.00 -1.39 0.00 -1.25 -0.73 121.76 114.27 2kcd s ALA 79 Ca -0.22 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2kcd s ALA 79 Cb 0.06 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 2kcd s ALA 79 CO 0.35 -0.66 -0.08 0.42 0.00 0.00 0.00 175.76 175.79 2kcd s ILE 80 N -3.01 0.65 -0.24 0.00 1.01 0.52 -2.47 121.20 117.67 2kcd s ILE 80 Ca 0.04 -0.41 -0.35 0.00 0.00 0.00 0.00 60.65 59.92 2kcd s ILE 80 Cb -0.01 -0.56 0.15 0.00 0.01 0.00 0.00 42.46 42.06 2kcd s ILE 80 CO -0.08 0.14 1.28 -0.83 0.00 0.00 0.00 174.94 175.45 2kcd s GLY 81 N -0.31 -0.20 0.04 6.18 0.00 -1.11 -2.73 107.32 109.19 2kcd s GLY 81 Ca 0.02 1.90 0.01 0.00 0.00 0.00 0.00 44.72 46.66 2kcd s GLY 81 CO -0.00 0.67 -0.06 -0.11 0.00 0.00 0.00 173.10 173.60 2kcd s PHE 82 N -2.04 0.58 -0.20 1.90 -0.71 -1.05 -1.57 117.98 114.89 2kcd s PHE 82 Ca 0.10 -0.60 -0.20 0.00 -1.04 0.00 0.00 56.93 55.19 2kcd s PHE 82 Cb -0.01 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.41 2kcd s PHE 82 CO -0.04 -0.14 0.58 0.42 -1.34 0.00 0.00 175.22 174.70 2kcd s ILE 83 N -1.85 5.05 0.83 -4.49 1.01 -1.10 -2.33 121.20 118.32 2kcd s ILE 83 Ca -0.08 1.08 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 2kcd s ILE 83 Cb -0.07 -3.90 0.16 0.00 0.01 0.00 0.00 42.46 38.66 2kcd s ILE 83 CO -0.01 0.13 1.15 -1.81 0.00 0.00 0.00 174.94 174.39 2kcd s ASP 84 N 1.21 3.78 0.49 3.58 1.01 -0.31 -2.57 116.67 123.85 2kcd s ASP 84 Ca 0.26 -0.07 0.19 0.00 0.71 0.00 0.00 52.55 53.64 2kcd s ASP 84 Cb -0.16 -0.15 1.22 0.00 1.01 0.00 0.00 42.92 44.85 2kcd s ASP 84 CO 0.10 -2.27 2.06 -0.08 0.21 0.00 0.00 175.17 175.19 2kcd h GLU 85 N -1.04 0.00 -0.92 8.23 4.81 -1.82 -1.22 114.58 122.62 2kcd h GLU 85 Ca -0.40 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.76 2kcd h GLU 85 Cb 1.25 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 2kcd h GLU 85 CO 0.39 0.12 0.09 0.09 -0.73 0.00 0.00 179.01 178.98 2kcd n ASN 86 N -4.16 2.88 0.00 1.04 5.03 -1.26 -4.80 115.26 113.99 2kcd n ASN 86 Ca -0.02 -2.41 0.00 0.00 0.87 0.00 0.00 54.58 53.02 2kcd n ASN 86 Cb 0.20 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.38 2kcd n ASN 86 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2kcd n HIS 87 N 0.10 0.00 -2.52 3.10 8.25 -0.46 -4.89 115.22 118.80 2kcd n HIS 87 Ca 0.14 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 2kcd n HIS 87 Cb 0.71 -1.50 -0.04 0.00 1.12 0.00 0.00 29.99 30.27 2kcd n HIS 87 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kcd s ASP 88 N -1.63 7.14 -0.34 0.41 1.01 -1.26 -4.72 116.67 117.27 2kcd s ASP 88 Ca 0.00 2.16 -0.13 0.00 0.71 0.00 0.00 52.55 55.29 2kcd s ASP 88 Cb 0.00 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.30 2kcd s ASP 88 CO 0.00 -0.23 0.25 -0.04 0.21 0.00 0.00 175.17 175.37 2kcd s MET 89 N -1.77 3.48 -0.34 8.23 -1.94 -1.26 -1.17 119.30 124.53 2kcd s MET 89 Ca 0.48 -0.64 -0.14 0.00 -1.71 0.00 0.00 55.69 53.69 2kcd s MET 89 Cb -0.28 -3.82 -0.01 0.00 2.01 0.00 0.00 34.83 32.73 2kcd s MET 89 CO 0.36 -0.46 0.29 0.34 -0.01 0.00 0.00 175.02 175.53 2kcd s ASP 90 N 1.72 6.11 -0.26 3.03 -1.08 -0.98 -4.95 116.67 120.25 2kcd s ASP 90 Ca 0.07 -0.36 -0.11 0.00 -0.52 0.00 0.00 52.55 51.63 2kcd s ASP 90 Cb -0.17 -2.16 -0.05 0.00 -1.46 0.00 0.00 42.92 39.08 2kcd s ASP 90 CO 0.11 -0.28 0.17 -0.36 0.52 0.00 0.00 175.17 175.33 2kcd s PHE 91 N 1.83 3.26 -0.14 -5.34 0.08 -1.26 -2.52 117.98 113.89 2kcd s PHE 91 Ca 0.08 0.16 0.22 0.00 0.12 0.00 0.00 56.93 57.51 2kcd s PHE 91 Cb -0.17 -2.32 -0.28 0.00 -0.57 0.00 0.00 43.02 39.68 2kcd s PHE 91 CO 0.11 -0.05 0.59 1.28 -0.10 0.00 0.00 175.22 177.05 2kcd n LEU 92 N 4.66 0.19 -3.51 -0.37 4.77 -1.10 -4.88 117.00 116.74 2kcd n LEU 92 Ca -0.15 -0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.78 2kcd n LEU 92 Cb 0.52 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.53 2kcd n LEU 92 CO 0.34 -0.00 0.08 -0.47 -1.33 0.00 0.00 177.39 176.01 2kcd s TYR 93 N -3.45 -1.04 -0.17 -1.77 5.04 -1.24 -4.30 117.35 110.41 2kcd s TYR 93 Ca -0.06 1.57 0.01 0.00 -2.44 0.00 0.00 57.07 56.16 2kcd s TYR 93 Cb 0.14 0.39 0.02 0.00 0.35 0.00 0.00 41.96 42.85 2kcd s TYR 93 CO 0.89 -0.63 -0.20 -1.17 -1.34 0.00 0.00 175.55 173.10 2kcd s LEU 94 N 2.70 2.15 -0.11 6.97 2.96 -0.63 -0.35 118.68 132.36 2kcd s LEU 94 Ca 0.04 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2kcd s LEU 94 Cb -0.13 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.12 2kcd s LEU 94 CO -0.16 0.02 0.03 -2.28 -1.32 0.00 0.00 176.35 172.64 2kcd s HIS 95 N 1.18 0.58 -0.03 5.38 5.65 0.09 -1.37 115.29 126.78 2kcd s HIS 95 Ca 0.02 -0.28 -0.16 0.00 0.25 0.00 0.00 55.06 54.90 2kcd s HIS 95 Cb -0.14 -0.78 -0.05 0.00 -1.18 0.00 0.00 32.58 30.43 2kcd s HIS 95 CO -0.10 -0.40 0.42 1.21 -0.65 0.00 0.00 174.74 175.22 2kcd s ASN 96 N 2.00 6.78 0.53 9.88 3.84 -1.19 -4.43 114.94 132.36 2kcd s ASN 96 Ca 0.03 0.93 0.33 0.00 0.21 0.00 0.00 52.86 54.36 2kcd s ASN 96 Cb -0.14 -2.26 1.15 0.00 -0.55 0.00 0.00 41.25 39.45 2kcd s ASN 96 CO -0.06 0.25 1.28 0.35 -2.79 0.00 0.00 177.10 176.13 2kcd n THR 97 N 2.27 0.00 -0.03 -5.21 -2.24 -1.26 0.14 114.28 107.94 2kcd n THR 97 Ca -0.12 1.23 -0.13 0.00 -2.27 0.00 0.00 64.05 62.76 2kcd n THR 97 Cb 0.52 -2.14 -0.08 0.00 -2.10 0.00 0.00 70.33 66.53 2kcd n THR 97 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2kcd h VAL 98 N 0.00 1.36 0.00 2.28 2.07 -2.03 -3.48 116.25 116.45 2kcd h VAL 98 Ca 0.62 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2kcd h VAL 98 Cb 3.01 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 34.76 2kcd h VAL 98 CO -0.01 0.33 0.00 1.15 0.02 0.00 0.00 177.57 179.06 2kcd n MET 99 N -4.73 0.00 -1.63 1.57 0.00 0.36 -5.14 117.12 107.56 2kcd n MET 99 Ca -0.07 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.16 2kcd n MET 99 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.47 2kcd n MET 99 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2kcd n PRO 100 N -0.01 1.62 -0.01 3.17 -0.02 -1.26 -3.15 135.00 135.34 2kcd n PRO 100 Ca 0.00 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 2kcd n PRO 100 Cb 0.00 -2.18 -0.00 0.00 -0.02 0.00 0.00 33.50 31.29 2kcd n PRO 100 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcd n LEU 101 N 2.27 0.37 -4.36 2.45 4.77 -0.68 -4.89 117.00 116.93 2kcd n LEU 101 Ca 0.14 0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 2kcd n LEU 101 Cb 0.27 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 40.81 2kcd n LEU 101 CO 0.62 -0.48 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.00 2kcd s LEU 102 N -5.57 2.75 -0.31 2.23 1.43 -0.47 -4.99 118.68 113.75 2kcd s LEU 102 Ca -0.04 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2kcd s LEU 102 Cb 0.01 -1.64 0.17 0.00 0.03 0.00 0.00 46.19 44.76 2kcd s LEU 102 CO 0.07 0.13 0.44 -0.62 0.23 0.00 0.00 176.35 176.59 2kcd s ASP 103 N 0.57 0.15 -0.28 2.29 -1.08 -1.26 -1.61 116.67 115.46 2kcd s ASP 103 Ca -0.07 -0.49 -0.07 0.00 -0.52 0.00 0.00 52.55 51.41 2kcd s ASP 103 Cb -0.15 1.19 0.00 0.00 -1.46 0.00 0.00 42.92 42.50 2kcd s ASP 103 CO 0.03 -0.33 0.07 -1.10 0.52 0.00 0.00 175.17 174.36 2kcd s GLN 104 N 2.41 3.22 0.30 4.34 -0.21 -1.26 -4.97 119.66 123.50 2kcd s GLN 104 Ca 0.11 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.77 2kcd s GLN 104 Cb -0.12 -3.33 0.48 0.00 1.00 0.00 0.00 33.01 31.05 2kcd s GLN 104 CO -0.26 -0.37 1.75 0.00 -2.12 0.00 0.00 175.29 174.29 2kcd h ARG 105 N 8.22 0.37 -0.27 2.91 3.08 -1.96 -2.75 114.38 123.99 2kcd h ARG 105 Ca -0.34 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.60 2kcd h ARG 105 Cb 1.14 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 2kcd h ARG 105 CO 0.60 0.62 0.11 1.88 -1.07 0.00 0.00 179.97 182.11 2kcd h TYR 106 N 0.33 0.20 -0.66 3.04 0.05 -1.97 0.60 116.97 118.56 2kcd h TYR 106 Ca 0.05 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 2kcd h TYR 106 Cb 0.67 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 2kcd h TYR 106 CO 0.02 0.10 0.09 -0.07 -1.05 0.00 0.00 178.16 177.24 2kcd h LEU 107 N 0.24 1.07 -0.37 3.88 3.38 -1.93 -2.25 115.31 119.33 2kcd h LEU 107 Ca 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kcd h LEU 107 Cb 0.07 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.53 2kcd h LEU 107 CO -0.11 1.07 -0.04 0.18 0.09 0.00 0.00 178.44 179.63 2kcd n LEU 108 N -4.21 0.62 -0.01 1.67 4.77 -0.95 -3.33 117.00 115.57 2kcd n LEU 108 Ca 0.04 -0.14 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 2kcd n LEU 108 Cb 0.31 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.17 2kcd n LEU 108 CO 0.43 0.11 -0.60 0.41 -1.33 0.00 0.00 177.39 176.41 2kcd n THR 109 N -0.64 0.00 -1.14 -5.08 -1.04 0.21 -4.94 114.28 101.64 2kcd n THR 109 Ca 0.19 -0.38 -0.05 0.00 -2.04 0.00 0.00 64.05 61.76 2kcd n THR 109 Cb 0.25 0.23 -0.02 0.00 -1.82 0.00 0.00 70.33 68.96 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kcd n GLY 110 N 1.33 0.75 0.00 3.41 0.00 -0.89 -5.01 105.19 104.77 2kcd n GLY 110 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2kcd n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcd n GLY 111 N -2.17 -3.17 3.73 -0.02 0.00 -1.19 -4.87 105.19 97.50 2kcd n GLY 111 Ca -0.05 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2kcd n GLY 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kcd s GLN 112 N -2.25 4.17 0.40 1.61 0.74 -1.26 -4.95 119.66 118.12 2kcd s GLN 112 Ca 0.00 2.48 -0.25 0.00 0.05 0.00 0.00 55.36 57.65 2kcd s GLN 112 Cb 0.00 -3.09 -0.09 0.00 1.10 0.00 0.00 33.01 30.93 2kcd s GLN 112 CO 0.00 -0.64 1.13 -0.48 -0.55 0.00 0.00 175.29 174.75 2kcd s LEU 113 N 0.63 4.18 1.08 3.68 2.34 -1.26 -5.03 118.68 124.30 2kcd s LEU 113 Ca 0.69 2.26 -0.17 0.00 0.06 0.00 0.00 54.13 56.97 2kcd s LEU 113 Cb -0.46 -4.06 0.24 0.00 -0.56 0.00 0.00 46.19 41.34 2kcd s LEU 113 CO 0.36 -0.62 1.20 -1.61 -1.06 0.00 0.00 176.35 174.62 2kcd s GLU 114 N -2.33 -0.25 1.65 1.48 0.41 -1.26 -4.88 118.70 113.51 2kcd s GLU 114 Ca 0.57 -0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.96 2kcd s GLU 114 Cb -0.28 -1.72 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 2kcd s GLU 114 CO 0.36 -3.05 0.00 0.72 -0.49 0.00 0.00 175.26 172.80 2kcd n HIS 115 N -4.27 -1.60 -3.81 1.61 8.25 -1.26 -4.92 115.22 109.22 2kcd n HIS 115 Ca 0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.47 2kcd n HIS 115 Cb 0.59 0.22 -0.09 0.00 1.12 0.00 0.00 29.99 31.83 2kcd n HIS 115 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kcd s HIS 116 N 0.00 -0.09 -1.72 4.41 -3.43 -1.26 -5.03 115.29 108.17 2kcd s HIS 116 Ca 0.00 0.10 0.19 0.00 -0.80 0.00 0.00 55.06 54.55 2kcd s HIS 116 Cb 0.00 0.04 0.52 0.00 -1.43 0.00 0.00 32.58 31.71 2kcd s HIS 116 CO 0.00 -0.34 1.43 0.72 -2.00 0.00 0.00 174.74 174.55 2kcd n HIS 117 N 1.37 0.77 -0.31 0.38 8.25 -1.26 -4.47 115.22 119.95 2kcd n HIS 117 Ca -0.22 -0.46 -0.03 0.00 -0.26 0.00 0.00 57.72 56.75 2kcd n HIS 117 Cb 0.56 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.75 2kcd n HIS 117 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kcd h HIS 118 N 3.66 1.03 -3.28 4.41 3.86 -2.03 -3.41 115.15 119.39 2kcd h HIS 118 Ca 0.00 0.03 -0.57 0.00 -1.16 0.00 0.00 60.37 58.67 2kcd h HIS 118 Cb 0.91 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.99 2kcd h HIS 118 CO 0.39 0.62 -0.07 -1.01 0.86 0.00 0.00 177.93 178.72 2kcd s HIS 119 N -6.12 3.68 0.00 2.45 3.76 -1.26 -5.37 115.29 112.43 2kcd s HIS 119 Ca -0.13 1.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 2kcd s HIS 119 Cb 0.16 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.45 2kcd s HIS 119 CO 0.79 0.49 0.00 0.72 -0.85 0.00 0.00 174.74 175.89