#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 -3.00 -0.26 2.03 -2.24 -1.26 -4.64 114.28 104.91 2kcd n THR 2 Ca 0.00 0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.93 2kcd n THR 2 Cb 0.00 -3.16 0.05 0.00 -2.10 0.00 0.00 70.33 65.12 2kcd n THR 2 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kcd h LEU 3 N 2.56 1.05 -0.13 3.22 -0.00 -2.05 -2.26 115.31 117.70 2kcd h LEU 3 Ca -0.34 -0.20 0.04 0.00 -0.00 0.00 0.00 57.88 57.38 2kcd h LEU 3 Cb 1.21 -0.27 -0.07 0.00 -0.00 0.00 0.00 40.66 41.53 2kcd h LEU 3 CO 0.14 0.97 -0.40 1.05 -0.00 0.00 0.00 178.44 180.20 2kcd h GLU 4 N 1.07 -0.46 -0.67 1.13 4.11 -2.00 0.37 114.58 118.13 2kcd h GLU 4 Ca 0.24 0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.65 2kcd h GLU 4 Cb 0.29 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2kcd h GLU 4 CO -0.01 -0.30 0.23 -0.07 0.07 0.00 0.00 179.01 178.92 2kcd h LEU 5 N -0.47 0.94 -1.02 3.06 4.07 -1.88 -2.37 115.31 117.64 2kcd h LEU 5 Ca 0.08 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 57.85 2kcd h LEU 5 Cb 0.61 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 2kcd h LEU 5 CO -0.39 0.87 0.28 -0.61 -1.08 0.00 0.00 178.44 177.51 2kcd h GLN 6 N 0.98 0.98 -0.42 1.13 5.75 -0.63 -0.82 115.11 122.09 2kcd h GLN 6 Ca 0.22 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 2kcd h GLN 6 Cb 0.25 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 2kcd h GLN 6 CO -0.01 0.79 0.19 1.25 -2.65 0.00 0.00 178.83 178.40 2kcd h LEU 7 N 0.96 0.56 -0.69 -2.39 5.85 0.20 0.35 115.31 120.15 2kcd h LEU 7 Ca 0.23 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 2kcd h LEU 7 Cb 0.17 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2kcd h LEU 7 CO -0.02 0.55 0.16 0.11 -0.34 0.00 0.00 178.44 178.90 2kcd h LYS 8 N 0.54 1.12 -0.25 1.25 6.56 -1.17 0.16 116.57 124.78 2kcd h LYS 8 Ca 0.14 -0.27 -0.07 0.00 -1.06 0.00 0.00 60.65 59.38 2kcd h LYS 8 Cb 0.15 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2kcd h LYS 8 CO -0.02 0.99 -0.14 1.25 -2.06 0.00 0.00 179.45 179.48 2kcd h HIS 9 N 1.05 0.62 0.09 -1.35 2.76 -0.79 0.43 115.15 117.96 2kcd h HIS 9 Ca 0.22 -0.16 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2kcd h HIS 9 Cb 0.39 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.21 2kcd h HIS 9 CO 0.03 0.80 -0.04 -0.92 -1.30 0.00 0.00 177.93 176.50 2kcd h TYR 10 N 0.25 -0.12 -0.43 5.26 3.20 -0.13 -1.27 116.97 123.74 2kcd h TYR 10 Ca 0.05 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2kcd h TYR 10 Cb 0.65 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2kcd h TYR 10 CO 0.06 0.14 -0.09 0.97 -1.64 0.00 0.00 178.16 177.61 2kcd h ILE 11 N -0.37 1.27 -0.32 1.81 2.10 -1.02 -1.70 117.51 119.28 2kcd h ILE 11 Ca -0.01 -1.19 -0.01 0.00 1.08 0.00 0.00 64.86 64.72 2kcd h ILE 11 Cb 0.31 1.16 -0.01 0.00 -1.09 0.00 0.00 36.82 37.19 2kcd h ILE 11 CO 0.02 0.40 0.15 0.74 -1.08 0.00 0.00 178.15 178.39 2kcd h THR 12 N 0.65 1.16 -0.26 2.19 2.02 -0.90 -2.62 112.91 115.14 2kcd h THR 12 Ca 0.11 -0.45 -0.12 0.00 0.77 0.00 0.00 66.41 66.72 2kcd h THR 12 Cb 0.62 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2kcd h THR 12 CO 0.04 0.16 -0.33 0.78 0.37 0.00 0.00 175.52 176.54 2kcd h ASN 13 N 0.39 0.58 -0.68 4.18 -0.26 -1.21 0.11 115.58 118.69 2kcd h ASN 13 Ca 0.11 -0.23 -0.01 0.00 -0.56 0.00 0.00 56.30 55.61 2kcd h ASN 13 Cb 0.12 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.19 2kcd h ASN 13 CO -0.01 0.87 0.38 0.25 -1.06 0.00 0.00 177.43 177.86 2kcd h LEU 14 N 0.48 0.84 -1.84 1.61 5.85 -1.08 -2.01 115.31 119.16 2kcd h LEU 14 Ca 0.05 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kcd h LEU 14 Cb 0.81 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2kcd h LEU 14 CO 0.07 0.69 0.00 0.49 -0.34 0.00 0.00 178.44 179.34 2kcd n PHE 15 N -4.52 0.69 -3.42 1.25 3.72 -1.01 -4.90 117.46 109.27 2kcd n PHE 15 Ca 0.06 -0.33 -0.25 0.00 -0.05 0.00 0.00 57.45 56.87 2kcd n PHE 15 Cb 0.08 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.91 -5.08 -4.88 4.37 5.15 -0.76 -4.95 115.26 110.02 2kcd n ASN 16 Ca 0.16 -0.47 -0.32 0.00 -0.60 0.00 0.00 54.58 53.35 2kcd n ASN 16 Cb 0.43 -4.10 -0.05 0.00 -0.53 0.00 0.00 39.78 35.53 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kcd s LEU 17 N -6.85 4.22 0.40 1.20 1.43 0.34 -5.01 118.68 114.42 2kcd s LEU 17 Ca 0.46 0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 54.14 2kcd s LEU 17 Cb -0.22 -3.50 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 2kcd s LEU 17 CO 0.56 -0.01 1.29 -2.16 0.23 0.00 0.00 176.35 176.26 2kcd s PRO 18 N -2.63 4.01 0.02 1.29 0.04 -1.26 -4.56 135.00 131.90 2kcd s PRO 18 Ca 0.44 2.12 0.26 0.00 0.04 0.00 0.00 61.00 63.87 2kcd s PRO 18 Cb -0.12 -2.77 0.75 0.00 0.04 0.00 0.00 34.50 32.40 2kcd s PRO 18 CO 0.22 -0.45 1.60 0.54 0.04 0.00 0.00 177.00 178.94 2kcd n ARG 19 N 0.18 0.03 0.00 4.56 1.74 -1.26 -3.45 116.66 118.46 2kcd n ARG 19 Ca 0.03 0.01 0.15 0.00 -0.77 0.00 0.00 57.85 57.27 2kcd n ARG 19 Cb 0.44 -1.53 0.87 0.00 -1.02 0.00 0.00 32.46 31.22 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kcd n ASP 20 N -1.58 0.00 -4.61 0.55 8.00 -1.26 -4.72 116.55 112.93 2kcd n ASP 20 Ca 0.06 -1.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 2kcd n ASP 20 Cb 0.35 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.40 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2kcd s GLU 21 N -2.00 3.96 0.24 -1.24 2.12 -1.22 -5.02 118.70 115.53 2kcd s GLU 21 Ca 0.44 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.10 2kcd s GLU 21 Cb 0.20 -3.74 -0.09 0.00 0.26 0.00 0.00 34.13 30.77 2kcd s GLU 21 CO 0.34 -0.72 1.18 0.21 -0.54 0.00 0.00 175.26 175.73 2kcd s LYS 22 N 3.06 4.52 0.15 4.30 2.20 -1.26 -5.03 119.74 127.68 2kcd s LYS 22 Ca 0.34 1.90 0.02 0.00 -0.36 0.00 0.00 55.97 57.88 2kcd s LYS 22 Cb -0.14 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2kcd s LYS 22 CO 0.13 -0.01 0.29 -1.58 -0.36 0.00 0.00 175.35 173.83 2kcd s TRP 23 N -0.56 3.49 -0.28 4.03 0.51 -1.26 -4.87 118.94 120.00 2kcd s TRP 23 Ca 0.50 0.13 -0.06 0.00 -2.12 0.00 0.00 56.10 54.55 2kcd s TRP 23 Cb -0.33 -1.68 0.01 0.00 -0.81 0.00 0.00 33.47 30.66 2kcd s TRP 23 CO 0.40 0.51 0.06 -1.21 -0.51 0.00 0.00 176.95 176.20 2kcd s GLU 24 N -3.24 3.11 0.29 4.98 2.02 -0.96 -4.94 118.70 119.95 2kcd s GLU 24 Ca 0.35 -0.84 -0.26 0.00 0.02 0.00 0.00 54.97 54.24 2kcd s GLU 24 Cb -0.11 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.72 2kcd s GLU 24 CO 0.29 -0.41 0.91 0.00 0.02 0.00 0.00 175.26 176.06 2kcd s GLU 26 N -1.81 0.38 0.09 0.00 2.12 -0.65 -4.98 118.70 113.87 2kcd s GLU 26 Ca 0.47 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.65 2kcd s GLU 26 Cb -0.20 -1.13 -0.05 0.00 0.26 0.00 0.00 34.13 33.01 2kcd s GLU 26 CO 0.25 -1.11 0.97 -1.12 -0.54 0.00 0.00 175.26 173.71 2kcd s SER 27 N 1.65 7.46 -0.17 -1.70 0.01 -1.26 -2.38 113.70 117.31 2kcd s SER 27 Ca 0.13 1.79 -0.17 0.00 1.31 0.00 0.00 55.95 59.01 2kcd s SER 27 Cb -0.19 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.50 2kcd s SER 27 CO -0.18 -0.11 0.47 -0.51 0.41 0.00 0.00 173.24 173.32 2kcd s ILE 28 N 0.18 0.00 -0.21 1.44 2.07 -0.43 -5.00 121.20 119.25 2kcd s ILE 28 Ca 0.48 -0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.55 2kcd s ILE 28 Cb -0.23 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 2kcd s ILE 28 CO 0.30 -0.01 0.38 -1.61 -1.91 0.00 0.00 174.94 172.08 2kcd s GLU 29 N 0.14 4.15 0.05 3.50 2.02 -1.26 -1.06 118.70 126.24 2kcd s GLU 29 Ca -0.01 0.15 -0.02 0.00 0.02 0.00 0.00 54.97 55.11 2kcd s GLU 29 Cb -0.03 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2kcd s GLU 29 CO 0.01 -0.06 -0.00 -1.21 0.02 0.00 0.00 175.26 174.01 2kcd s GLU 30 N 1.39 0.62 0.26 1.61 2.02 -1.10 -4.95 118.70 118.55 2kcd s GLU 30 Ca 0.18 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 2kcd s GLU 30 Cb -0.15 0.22 -0.09 0.00 0.10 0.00 0.00 34.13 34.21 2kcd s GLU 30 CO 0.08 -0.12 1.28 0.08 0.02 0.00 0.00 175.26 176.60 2kcd s VAL 31 N -3.78 3.07 0.26 2.63 1.01 -1.26 -1.71 120.40 120.61 2kcd s VAL 31 Ca 0.06 0.97 -0.03 0.00 0.00 0.00 0.00 61.98 62.97 2kcd s VAL 31 Cb 0.07 -3.62 0.24 0.00 0.00 0.00 0.00 36.38 33.08 2kcd s VAL 31 CO -0.10 0.19 1.84 0.00 0.00 0.00 0.00 175.10 177.03 2kcd h ALA 32 N 4.47 1.31 -0.59 5.51 0.00 -1.73 -1.02 119.26 127.21 2kcd h ALA 32 Ca -0.46 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kcd h ALA 32 Cb 1.22 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2kcd h ALA 32 CO 0.72 0.25 0.25 -0.44 0.00 0.00 0.00 179.25 180.02 2kcd h ASP 33 N 0.97 0.78 -0.33 0.00 3.32 -1.71 2.10 116.42 121.54 2kcd h ASP 33 Ca 0.43 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 2kcd h ASP 33 Cb 0.31 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2kcd h ASP 33 CO -0.22 0.69 0.01 0.44 -1.72 0.00 0.00 179.24 178.44 2kcd h ASP 34 N 0.85 0.57 0.28 6.45 3.32 -1.57 -3.20 116.42 123.10 2kcd h ASP 34 Ca 0.20 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2kcd h ASP 34 Cb 0.15 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2kcd h ASP 34 CO -0.02 0.73 -1.21 0.00 -1.72 0.00 0.00 179.24 177.02 2kcd n ILE 35 N -4.54 0.11 -3.98 0.35 3.06 -0.99 -4.73 119.36 108.64 2kcd n ILE 35 Ca -0.02 -0.25 -0.31 0.00 -2.50 0.00 0.00 62.75 59.67 2kcd n ILE 35 Cb 0.26 0.31 -0.15 0.00 0.54 0.00 0.00 39.64 40.60 2kcd n ILE 35 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2kcd s LEU 36 N -3.88 4.25 0.98 9.51 1.98 0.71 -5.02 118.68 127.20 2kcd s LEU 36 Ca 0.02 -2.01 -0.15 0.00 -2.89 0.00 0.00 54.13 49.10 2kcd s LEU 36 Cb 0.15 -1.50 -0.03 0.00 0.66 0.00 0.00 46.19 45.46 2kcd s LEU 36 CO 0.84 -0.37 -0.12 -2.65 -1.89 0.00 0.00 176.35 172.15 2kcd n PRO 37 N 4.36 -0.25 0.26 0.98 -0.02 -1.25 -4.02 135.00 135.06 2kcd n PRO 37 Ca 0.02 -0.05 0.18 0.00 -2.02 0.00 0.00 63.50 61.62 2kcd n PRO 37 Cb 0.42 -1.51 0.86 0.00 -0.02 0.00 0.00 33.50 33.25 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kcd h ASP 38 N -1.37 0.00 -1.29 2.55 3.32 -1.84 -2.90 116.42 114.89 2kcd h ASP 38 Ca -0.44 0.00 0.40 0.00 0.02 0.00 0.00 57.03 57.01 2kcd h ASP 38 Cb 1.30 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.73 2kcd h ASP 38 CO 0.30 0.00 0.85 -0.61 -1.72 0.00 0.00 179.24 178.05 2kcd h GLN 39 N 0.00 0.13 0.00 3.56 5.75 -2.00 0.25 115.11 122.81 2kcd h GLN 39 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2kcd h GLN 39 Cb 0.19 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.71 2kcd h GLN 39 CO 0.00 0.09 0.00 0.66 -2.65 0.00 0.00 178.83 176.93 2kcd n TYR 40 N -4.61 0.00 -3.13 3.99 4.01 -1.10 -4.75 117.16 111.56 2kcd n TYR 40 Ca 0.35 -0.08 -0.24 0.00 -0.16 0.00 0.00 57.90 57.76 2kcd n TYR 40 Cb 1.34 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 40.32 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 -0.08 1.44 -0.15 -0.72 0.31 0.87 -4.89 118.33 115.11 2kcd n VAL 41 Ca 0.00 -5.01 -0.09 0.00 -0.01 0.00 0.00 64.34 59.23 2kcd n VAL 41 Cb 0.04 -1.22 -0.00 0.00 -0.91 0.00 0.00 33.84 31.76 2kcd n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2kcd h ARG 42 N 3.31 0.66 0.00 5.55 3.08 -1.78 -3.42 114.38 121.78 2kcd h ARG 42 Ca 0.12 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2kcd h ARG 42 Cb 0.73 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2kcd h ARG 42 CO 0.67 0.61 -0.05 -0.11 -1.07 0.00 0.00 179.97 180.03 2kcd n LEU 43 N -4.60 -0.18 0.00 3.04 7.94 -1.26 -5.04 117.00 116.90 2kcd n LEU 43 Ca 0.01 -0.51 -0.05 0.00 -1.11 0.00 0.00 56.01 54.35 2kcd n LEU 43 Cb 0.16 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.14 2kcd n LEU 43 CO 0.37 0.75 0.12 0.61 -1.11 0.00 0.00 177.39 178.14 2kcd n GLY 44 N 0.00 -2.04 0.32 -3.96 0.00 -1.26 -4.74 105.19 93.51 2kcd n GLY 44 Ca -0.05 -1.53 0.17 0.00 0.00 0.00 0.00 46.02 44.61 2kcd n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kcd h PRO 45 N 0.00 0.00 -0.55 1.61 0.11 -1.98 0.11 132.00 131.30 2kcd h PRO 45 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2kcd h PRO 45 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2kcd h PRO 45 CO 0.05 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.12 2kcd n LEU 46 N -3.63 2.03 -0.34 2.35 4.77 -1.26 -3.93 117.00 116.99 2kcd n LEU 46 Ca -0.01 -1.02 0.08 0.00 -0.03 0.00 0.00 56.01 55.02 2kcd n LEU 46 Cb 0.19 -0.37 0.26 0.00 -2.33 0.00 0.00 43.42 41.18 2kcd n LEU 46 CO 0.25 0.37 1.23 0.28 -1.33 0.00 0.00 177.39 178.19 2kcd h SER 47 N 1.48 0.88 0.00 -1.43 0.02 -1.06 -3.32 113.55 110.11 2kcd h SER 47 Ca 0.00 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2kcd h SER 47 Cb 0.68 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.00 2kcd h SER 47 CO 0.09 0.47 -0.33 -3.20 -1.14 0.00 0.00 176.83 172.71 2kcd n ASN 48 N -4.60 -0.09 -4.75 3.07 5.15 -1.26 -4.65 115.26 108.13 2kcd n ASN 48 Ca 0.18 -1.61 -0.40 0.00 -0.60 0.00 0.00 54.58 52.15 2kcd n ASN 48 Cb 0.36 -0.02 -0.05 0.00 -0.53 0.00 0.00 39.78 39.54 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2kcd s LYS 49 N 0.00 4.53 -0.14 1.20 2.20 -1.25 -4.89 119.74 121.39 2kcd s LYS 49 Ca 0.05 1.13 -0.29 0.00 -0.36 0.00 0.00 55.97 56.49 2kcd s LYS 49 Cb 0.06 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 2kcd s LYS 49 CO -0.02 0.37 1.00 0.42 -0.36 0.00 0.00 175.35 176.76 2kcd s ILE 50 N -0.40 4.76 -0.12 5.43 1.09 -1.26 -2.46 121.20 128.24 2kcd s ILE 50 Ca 0.38 2.01 -0.01 0.00 -1.10 0.00 0.00 60.65 61.93 2kcd s ILE 50 Cb -0.22 -4.30 -0.02 0.00 -1.06 0.00 0.00 42.46 36.86 2kcd s ILE 50 CO 0.25 -0.04 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.21 2kcd s LEU 51 N 2.31 3.04 -0.71 2.97 1.43 -0.69 -4.94 118.68 122.09 2kcd s LEU 51 Ca 0.47 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.14 2kcd s LEU 51 Cb -0.17 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 2kcd s LEU 51 CO 0.15 0.23 1.69 -1.58 0.23 0.00 0.00 176.35 177.06 2kcd s GLN 52 N -0.01 2.83 0.50 1.70 -0.44 -0.93 -2.71 119.66 120.61 2kcd s GLN 52 Ca -0.01 0.16 -0.07 0.00 -2.50 0.00 0.00 55.36 52.94 2kcd s GLN 52 Cb -0.14 -4.47 -0.04 0.00 -1.64 0.00 0.00 33.01 26.72 2kcd s GLN 52 CO 0.03 -2.62 0.84 0.95 0.50 0.00 0.00 175.29 174.99 2kcd s THR 53 N 8.03 4.85 -0.27 -0.34 -4.23 -0.22 -1.81 115.64 121.64 2kcd s THR 53 Ca 0.57 0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 61.48 2kcd s THR 53 Cb -0.10 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 70.03 2kcd s THR 53 CO 0.15 -0.88 0.32 0.54 -0.54 0.00 0.00 174.62 174.20 2kcd s ASN 54 N -4.01 1.24 -0.04 3.99 2.20 -0.89 -1.32 114.94 116.10 2kcd s ASN 54 Ca 0.50 -0.51 -0.12 0.00 -0.94 0.00 0.00 52.86 51.78 2kcd s ASN 54 Cb -0.10 0.68 -0.05 0.00 -2.00 0.00 0.00 41.25 39.77 2kcd s ASN 54 CO 0.45 -0.37 0.31 -0.89 -2.94 0.00 0.00 177.10 173.67 2kcd s THR 55 N 2.41 5.20 -0.13 0.54 2.01 -1.00 -2.50 115.64 122.16 2kcd s THR 55 Ca 0.10 0.62 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 2kcd s THR 55 Cb -0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2kcd s THR 55 CO -0.28 0.59 0.02 -0.31 -0.69 0.00 0.00 174.62 173.95 2kcd s TYR 56 N -1.06 3.19 -0.09 4.92 1.51 -0.86 -1.63 117.35 123.33 2kcd s TYR 56 Ca 0.21 0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.39 2kcd s TYR 56 Cb -0.15 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 2kcd s TYR 56 CO 0.10 0.31 -0.21 0.71 -1.11 0.00 0.00 175.55 175.35 2kcd s TYR 57 N -0.32 2.25 0.11 2.71 2.02 -0.55 -4.39 117.35 119.18 2kcd s TYR 57 Ca 0.07 -0.88 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 2kcd s TYR 57 Cb -0.12 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2kcd s TYR 57 CO 0.02 -0.36 -0.05 -1.12 -1.57 0.00 0.00 175.55 172.47 2kcd s SER 58 N 0.37 1.10 0.09 2.29 0.01 -1.26 -2.27 113.70 114.04 2kcd s SER 58 Ca -0.16 -1.04 -0.21 0.00 1.31 0.00 0.00 55.95 55.85 2kcd s SER 58 Cb -0.17 0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.07 2kcd s SER 58 CO 0.07 -0.49 1.67 -0.78 0.41 0.00 0.00 173.24 174.12 2kcd h ASP 59 N 2.93 0.19 -0.21 2.44 3.58 -2.00 -1.09 116.42 122.26 2kcd h ASP 59 Ca -0.35 -0.10 -0.08 0.00 0.42 0.00 0.00 57.03 56.91 2kcd h ASP 59 Cb 1.17 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2kcd h ASP 59 CO 0.64 0.24 -0.13 0.71 -2.88 0.00 0.00 179.24 177.82 2kcd h THR 60 N 0.12 1.25 -0.66 2.25 1.35 -1.99 -2.31 112.91 112.92 2kcd h THR 60 Ca 0.05 -1.11 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 2kcd h THR 60 Cb 0.10 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 2kcd h THR 60 CO -0.01 0.37 0.22 -0.07 -0.25 0.00 0.00 175.52 175.78 2kcd h LEU 61 N 0.55 0.95 -0.47 3.87 -0.00 -1.78 -0.52 115.31 117.92 2kcd h LEU 61 Ca 0.10 -0.20 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 2kcd h LEU 61 Cb 0.55 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2kcd h LEU 61 CO 0.03 0.89 0.01 -0.74 -0.00 0.00 0.00 178.44 178.64 2kcd h HIS 62 N 0.95 0.89 -0.62 1.13 2.76 -0.95 -1.70 115.15 117.61 2kcd h HIS 62 Ca 0.21 -0.15 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 2kcd h HIS 62 Cb 0.28 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 2kcd h HIS 62 CO 0.02 0.85 0.16 0.87 -1.30 0.00 0.00 177.93 178.53 2kcd h LYS 63 N 0.68 0.98 0.00 5.26 1.57 -1.14 -1.77 116.57 122.15 2kcd h LYS 63 Ca 0.13 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kcd h LYS 63 Cb 0.49 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2kcd h LYS 63 CO 0.02 0.89 0.00 0.43 -0.57 0.00 0.00 179.45 180.22 2kcd n SER 64 N -4.35 0.62 -0.51 0.86 7.64 -0.23 -4.86 113.62 112.79 2kcd n SER 64 Ca 0.04 0.64 -0.06 0.00 1.01 0.00 0.00 58.87 60.49 2kcd n SER 64 Cb 0.24 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 2kcd n SER 64 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kcd n ASN 65 N -2.17 -3.45 -4.48 6.43 5.03 -0.67 -4.78 115.26 111.18 2kcd n ASN 65 Ca 0.03 0.12 -0.34 0.00 0.87 0.00 0.00 54.58 55.26 2kcd n ASN 65 Cb 0.25 -1.77 -0.12 0.00 -1.02 0.00 0.00 39.78 37.12 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2kcd s ILE 66 N -2.24 3.74 -0.33 2.41 1.09 -0.75 -2.55 121.20 122.56 2kcd s ILE 66 Ca 0.00 -0.42 0.02 0.00 -1.10 0.00 0.00 60.65 59.15 2kcd s ILE 66 Cb 0.00 -2.62 0.10 0.00 -1.06 0.00 0.00 42.46 38.88 2kcd s ILE 66 CO 0.00 0.50 0.08 -0.31 -0.10 0.00 0.00 174.94 175.12 2kcd s TYR 67 N 0.31 2.74 0.25 3.97 2.02 -1.12 -4.44 117.35 121.09 2kcd s TYR 67 Ca -0.05 -2.40 -0.24 0.00 -0.37 0.00 0.00 57.07 54.00 2kcd s TYR 67 Cb -0.14 -2.33 -0.09 0.00 -0.40 0.00 0.00 41.96 39.00 2kcd s TYR 67 CO 0.03 -0.91 0.84 -1.25 -1.57 0.00 0.00 175.55 172.70 2kcd s PRO 68 N 1.19 4.51 0.09 -1.71 0.04 -1.26 -1.17 135.00 136.69 2kcd s PRO 68 Ca 0.11 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 2kcd s PRO 68 Cb -0.18 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.40 2kcd s PRO 68 CO -0.16 0.40 0.30 -0.59 0.04 0.00 0.00 177.00 176.99 2kcd s PHE 69 N -1.45 -0.05 0.06 0.56 -0.12 -0.87 -2.03 117.98 114.09 2kcd s PHE 69 Ca 0.44 -0.26 0.05 0.00 -0.05 0.00 0.00 56.93 57.11 2kcd s PHE 69 Cb -0.20 0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 2kcd s PHE 69 CO 0.24 -0.59 -0.15 0.42 -0.05 0.00 0.00 175.22 175.09 2kcd s ILE 70 N -3.51 1.20 -0.20 -4.49 1.01 -1.04 -3.10 121.20 111.07 2kcd s ILE 70 Ca 0.02 -1.22 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 2kcd s ILE 70 Cb 0.02 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2kcd s ILE 70 CO -0.09 -0.11 0.06 -0.76 0.00 0.00 0.00 174.94 174.04 2kcd s LEU 71 N -1.52 3.72 0.01 2.97 1.43 -0.95 -2.10 118.68 122.25 2kcd s LEU 71 Ca 0.01 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 2kcd s LEU 71 Cb -0.09 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2kcd s LEU 71 CO 0.02 0.13 -0.23 -0.31 0.23 0.00 0.00 176.35 176.18 2kcd s TYR 72 N 0.64 2.09 -0.05 0.29 2.02 -0.75 -1.52 117.35 120.07 2kcd s TYR 72 Ca 0.03 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2kcd s TYR 72 Cb -0.13 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.16 2kcd s TYR 72 CO 0.02 0.03 0.08 -0.47 -1.57 0.00 0.00 175.55 173.64 2kcd s TYR 73 N -0.66 -0.04 0.00 2.71 5.04 -0.91 -2.18 117.35 121.32 2kcd s TYR 73 Ca 0.09 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 2kcd s TYR 73 Cb -0.09 -0.26 0.00 0.00 0.35 0.00 0.00 41.96 41.96 2kcd s TYR 73 CO 0.00 -0.16 0.00 0.94 -1.34 0.00 0.00 175.55 174.99 2kcd n GLN 74 N 4.63 0.00 0.00 4.97 -0.06 -1.26 -2.17 117.38 123.49 2kcd n GLN 74 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.82 2kcd n GLN 74 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 2kcd n GLN 74 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2kcd n LYS 75 N 0.00 0.00 -3.29 3.69 4.81 -1.26 -5.12 118.16 116.98 2kcd n LYS 75 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 2kcd n LYS 75 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 2kcd n LYS 75 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2kcd s GLN 76 N -0.95 3.90 0.52 1.64 0.74 -0.92 -5.06 119.66 119.52 2kcd s GLN 76 Ca 0.00 0.46 -0.18 0.00 0.05 0.00 0.00 55.36 55.68 2kcd s GLN 76 Cb 0.00 -2.56 -0.07 0.00 1.10 0.00 0.00 33.01 31.48 2kcd s GLN 76 CO 0.00 0.25 1.03 -0.48 -0.55 0.00 0.00 175.29 175.54 2kcd s LEU 77 N -2.86 3.71 -0.25 3.68 0.05 -1.26 -2.13 118.68 119.62 2kcd s LEU 77 Ca 0.50 1.83 -0.13 0.00 0.05 0.00 0.00 54.13 56.38 2kcd s LEU 77 Cb -0.11 -4.54 -0.10 0.00 -2.05 0.00 0.00 46.19 39.38 2kcd s LEU 77 CO 0.19 -0.86 -0.33 -0.38 -0.55 0.00 0.00 176.35 174.43 2kcd n ILE 78 N -1.37 1.42 -3.56 1.48 2.08 -0.57 -4.87 119.36 113.96 2kcd n ILE 78 Ca 0.09 -0.30 -0.11 0.00 0.56 0.00 0.00 62.75 62.99 2kcd n ILE 78 Cb 0.53 -1.90 -0.03 0.00 -0.75 0.00 0.00 39.64 37.48 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 -2.51 -1.23 -0.02 -1.39 0.00 -1.25 -1.27 121.76 114.08 2kcd s ALA 79 Ca -0.35 0.16 0.03 0.00 0.00 0.00 0.00 51.96 51.80 2kcd s ALA 79 Cb 0.13 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 2kcd s ALA 79 CO 0.44 -0.73 -0.10 0.42 0.00 0.00 0.00 175.76 175.79 2kcd s ILE 80 N -3.79 0.85 0.14 0.00 1.01 -0.17 -2.23 121.20 117.01 2kcd s ILE 80 Ca 0.03 -0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 2kcd s ILE 80 Cb -0.00 -0.74 0.08 0.00 0.01 0.00 0.00 42.46 41.80 2kcd s ILE 80 CO -0.11 0.26 1.07 0.61 0.00 0.00 0.00 174.94 176.77 2kcd n GLY 81 N 3.15 0.53 3.21 6.18 0.00 -1.18 -1.77 105.19 115.30 2kcd n GLY 81 Ca -0.17 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 2kcd n GLY 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kcd s PHE 82 N -2.12 0.31 -0.23 1.61 -0.71 -1.04 -2.05 117.98 113.75 2kcd s PHE 82 Ca 0.24 -0.74 -0.16 0.00 -1.04 0.00 0.00 56.93 55.23 2kcd s PHE 82 Cb -0.02 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 2kcd s PHE 82 CO 0.04 -0.55 0.41 0.42 -1.34 0.00 0.00 175.22 174.21 2kcd s ILE 83 N -3.90 5.17 0.16 -4.49 1.01 -0.32 -1.57 121.20 117.25 2kcd s ILE 83 Ca 0.09 0.70 -0.24 0.00 0.00 0.00 0.00 60.65 61.20 2kcd s ILE 83 Cb 0.05 -3.74 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 2kcd s ILE 83 CO -0.08 0.20 0.75 -1.81 0.00 0.00 0.00 174.94 174.00 2kcd s ASP 84 N 1.27 7.34 0.00 3.58 1.11 -1.17 -2.77 116.67 126.03 2kcd s ASP 84 Ca 0.18 1.59 0.00 0.00 0.18 0.00 0.00 52.55 54.51 2kcd s ASP 84 Cb -0.15 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.36 2kcd s ASP 84 CO 0.09 0.21 0.00 -0.62 1.18 0.00 0.00 175.17 176.03 2kcd n GLU 85 N 1.56 0.00 -0.16 8.23 -0.58 -1.06 -0.12 120.64 128.51 2kcd n GLU 85 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 2kcd n GLU 85 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2kcd n GLU 85 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kcd n ASN 86 N 1.67 0.00 -3.50 1.62 5.15 -1.26 -4.71 115.26 114.24 2kcd n ASN 86 Ca 0.00 -1.17 -0.03 0.00 -0.60 0.00 0.00 54.58 52.78 2kcd n ASN 86 Cb 0.00 -0.03 0.01 0.00 -0.53 0.00 0.00 39.78 39.22 2kcd n ASN 86 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 2kcd s HIS 87 N 0.00 0.01 -0.23 1.20 2.46 0.82 -5.08 115.29 114.47 2kcd s HIS 87 Ca 0.00 -0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.16 2kcd s HIS 87 Cb 0.00 0.67 0.01 0.00 -0.13 0.00 0.00 32.58 33.12 2kcd s HIS 87 CO 0.00 -0.82 0.03 -0.25 -2.47 0.00 0.00 174.74 171.23 2kcd n ASP 88 N -0.98 -6.84 -4.74 9.88 8.00 -1.26 -3.36 116.55 117.25 2kcd n ASP 88 Ca -0.04 1.25 -0.39 0.00 0.71 0.00 0.00 54.79 56.31 2kcd n ASP 88 Cb 0.60 -4.60 -0.05 0.00 -0.02 0.00 0.00 41.12 37.05 2kcd n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2kcd s MET 89 N -1.36 4.42 0.15 -1.24 -1.94 -1.26 -3.05 119.30 115.02 2kcd s MET 89 Ca -0.04 0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 54.65 2kcd s MET 89 Cb 0.00 -3.39 -0.07 0.00 2.01 0.00 0.00 34.83 33.38 2kcd s MET 89 CO 0.63 0.22 0.63 -0.51 -0.01 0.00 0.00 175.02 175.98 2kcd s ASP 90 N 0.24 7.00 -0.12 3.03 1.01 -0.61 -4.89 116.67 122.33 2kcd s ASP 90 Ca 0.36 1.28 -0.07 0.00 0.71 0.00 0.00 52.55 54.82 2kcd s ASP 90 Cb -0.19 -2.36 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2kcd s ASP 90 CO 0.19 0.13 0.14 -0.36 0.21 0.00 0.00 175.17 175.48 2kcd s PHE 91 N -1.37 3.59 -0.06 4.23 0.08 -1.26 -2.51 117.98 120.68 2kcd s PHE 91 Ca 0.37 0.52 0.03 0.00 0.12 0.00 0.00 56.93 57.97 2kcd s PHE 91 Cb -0.17 -1.95 -0.06 0.00 -0.57 0.00 0.00 43.02 40.27 2kcd s PHE 91 CO 0.20 0.72 -0.02 1.28 -0.10 0.00 0.00 175.22 177.31 2kcd n LEU 92 N 2.04 1.30 -3.69 -0.37 4.77 -0.73 -5.00 117.00 115.31 2kcd n LEU 92 Ca -0.20 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 2kcd n LEU 92 Cb 0.55 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2kcd n LEU 92 CO 0.31 0.34 -0.11 -0.47 -1.33 0.00 0.00 177.39 176.13 2kcd s TYR 93 N -2.13 -0.41 -0.20 -1.77 5.04 -1.15 -4.42 117.35 112.31 2kcd s TYR 93 Ca -0.05 0.94 0.01 0.00 -2.44 0.00 0.00 57.07 55.53 2kcd s TYR 93 Cb 0.02 0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.41 2kcd s TYR 93 CO 0.19 -0.31 -0.10 -1.17 -1.34 0.00 0.00 175.55 172.82 2kcd s LEU 94 N 1.85 2.29 -0.25 6.97 1.98 -1.26 -1.00 118.68 129.25 2kcd s LEU 94 Ca -0.04 -0.89 -0.04 0.00 -2.89 0.00 0.00 54.13 50.27 2kcd s LEU 94 Cb -0.11 -1.24 0.09 0.00 0.66 0.00 0.00 46.19 45.59 2kcd s LEU 94 CO -0.09 -0.15 0.14 -2.28 -1.89 0.00 0.00 176.35 172.08 2kcd s HIS 95 N 1.39 0.18 -0.62 5.38 5.65 -0.39 -2.63 115.29 124.25 2kcd s HIS 95 Ca -0.01 -0.59 -0.17 0.00 0.25 0.00 0.00 55.06 54.54 2kcd s HIS 95 Cb -0.16 -0.77 0.13 0.00 -1.18 0.00 0.00 32.58 30.60 2kcd s HIS 95 CO -0.08 -0.73 0.66 -0.80 -0.65 0.00 0.00 174.74 173.14 2kcd s ASN 96 N 2.15 6.28 -0.03 9.88 0.01 -0.80 -4.30 114.94 128.13 2kcd s ASN 96 Ca 0.07 -1.75 -0.03 0.00 -0.71 0.00 0.00 52.86 50.44 2kcd s ASN 96 Cb -0.16 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.24 2kcd s ASN 96 CO -0.27 -0.96 0.05 0.35 -1.51 0.00 0.00 177.10 174.76 2kcd n THR 97 N 5.24 -1.21 -3.44 1.60 -2.24 -1.26 -2.56 114.28 110.41 2kcd n THR 97 Ca -0.07 0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.73 2kcd n THR 97 Cb 0.42 -1.66 0.06 0.00 -2.10 0.00 0.00 70.33 67.05 2kcd n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kcd n VAL 98 N 0.79 -7.64 -2.71 2.28 0.31 -1.26 -4.98 118.33 105.12 2kcd n VAL 98 Ca -0.01 -1.16 -0.03 0.00 -0.01 0.00 0.00 64.34 63.14 2kcd n VAL 98 Cb 0.28 -5.53 0.03 0.00 -0.91 0.00 0.00 33.84 27.71 2kcd n VAL 98 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2kcd s MET 99 N -5.11 0.40 -0.45 5.55 -2.45 -1.06 -5.12 119.30 111.06 2kcd s MET 99 Ca 0.44 -0.37 -0.29 0.00 -1.25 0.00 0.00 55.69 54.22 2kcd s MET 99 Cb -0.10 -0.01 0.02 0.00 1.25 0.00 0.00 34.83 35.99 2kcd s MET 99 CO 0.79 -0.50 1.28 -1.25 1.05 0.00 0.00 175.02 176.39 2kcd s PRO 100 N 1.08 3.64 0.00 4.11 0.04 -1.26 -1.91 135.00 140.70 2kcd s PRO 100 Ca 0.24 0.75 0.26 0.00 0.04 0.00 0.00 61.00 62.28 2kcd s PRO 100 Cb 0.09 -3.97 0.61 0.00 0.04 0.00 0.00 34.50 31.27 2kcd s PRO 100 CO -0.10 -1.48 1.48 1.28 0.04 0.00 0.00 177.00 178.22 2kcd n LEU 101 N 8.36 0.49 0.00 -3.56 4.77 -1.08 -4.77 117.00 121.21 2kcd n LEU 101 Ca 0.14 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2kcd n LEU 101 Cb 0.48 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2kcd n LEU 101 CO 0.71 0.12 0.00 0.18 -1.33 0.00 0.00 177.39 177.07 2kcd n LEU 102 N -1.43 0.00 -2.98 2.23 4.77 -1.25 -5.02 117.00 113.31 2kcd n LEU 102 Ca 0.06 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 2kcd n LEU 102 Cb 0.34 0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2kcd n LEU 102 CO 0.33 -0.41 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.25 2kcd n ASP 103 N -2.23 -5.04 -4.63 -1.43 -0.08 -1.26 -4.86 116.55 97.03 2kcd n ASP 103 Ca 0.00 -0.22 -0.43 0.00 -1.51 0.00 0.00 54.79 52.63 2kcd n ASP 103 Cb 0.00 -4.13 -0.03 0.00 2.34 0.00 0.00 41.12 39.30 2kcd n ASP 103 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kcd s GLN 104 N -5.64 3.77 0.05 -0.67 -0.21 -1.26 -4.87 119.66 110.83 2kcd s GLN 104 Ca 0.26 1.65 -0.16 0.00 0.02 0.00 0.00 55.36 57.14 2kcd s GLN 104 Cb -0.13 -4.05 -0.23 0.00 1.00 0.00 0.00 33.01 29.61 2kcd s GLN 104 CO 0.32 -1.33 1.17 0.00 -2.12 0.00 0.00 175.29 173.33 2kcd h ARG 105 N 10.86 0.62 -0.55 2.91 2.47 -1.91 -2.62 114.38 126.17 2kcd h ARG 105 Ca -0.34 -0.66 -0.01 0.00 -1.26 0.00 0.00 59.98 57.72 2kcd h ARG 105 Cb 1.15 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.63 2kcd h ARG 105 CO 1.00 1.26 0.30 0.10 0.56 0.00 0.00 179.97 183.19 2kcd h TYR 106 N 0.25 0.75 -0.67 3.04 -0.00 -1.92 -1.97 116.97 116.46 2kcd h TYR 106 Ca -0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 58.73 58.54 2kcd h TYR 106 Cb 1.56 -0.24 -0.03 0.00 0.00 0.00 0.00 36.73 38.02 2kcd h TYR 106 CO 0.12 0.55 0.16 1.25 -0.00 0.00 0.00 178.16 180.24 2kcd h LEU 107 N 0.73 1.00 -0.40 0.10 5.85 -1.93 2.08 115.31 122.75 2kcd h LEU 107 Ca 0.19 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kcd h LEU 107 Cb 0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2kcd h LEU 107 CO -0.03 0.96 0.24 0.25 -0.34 0.00 0.00 178.44 179.52 2kcd h LEU 108 N 1.00 0.48 -3.48 2.25 6.46 -1.03 -3.15 115.31 117.84 2kcd h LEU 108 Ca 0.21 -0.06 -0.30 0.00 -0.12 0.00 0.00 57.88 57.61 2kcd h LEU 108 Cb 0.36 -0.12 -0.25 0.00 -0.73 0.00 0.00 40.66 39.91 2kcd h LEU 108 CO 0.00 0.40 -0.70 1.07 -0.62 0.00 0.00 178.44 178.58 2kcd n THR 109 N -4.77 2.29 -1.14 1.05 5.66 -0.79 -4.85 114.28 111.73 2kcd n THR 109 Ca 0.00 -3.69 -0.32 0.00 -3.05 0.00 0.00 64.05 57.00 2kcd n THR 109 Cb 0.06 -0.63 0.12 0.00 -1.55 0.00 0.00 70.33 68.32 2kcd n THR 109 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kcd s GLY 110 N -3.42 1.87 0.00 1.09 0.00 0.70 -4.79 107.32 102.78 2kcd s GLY 110 Ca 0.44 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2kcd s GLY 110 CO -0.01 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.62 2kcd n GLY 111 N -0.28 0.30 3.75 0.20 0.00 -1.26 -5.01 105.19 102.88 2kcd n GLY 111 Ca 0.11 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2kcd n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kcd s GLN 112 N 0.00 4.78 -0.05 1.61 1.03 -1.26 -5.02 119.66 120.75 2kcd s GLN 112 Ca 0.00 1.59 -0.23 0.00 0.04 0.00 0.00 55.36 56.77 2kcd s GLN 112 Cb 0.00 -3.25 -0.04 0.00 0.03 0.00 0.00 33.01 29.74 2kcd s GLN 112 CO 0.00 0.40 0.67 -0.51 -2.54 0.00 0.00 175.29 173.31 2kcd s LEU 113 N -1.21 4.35 -0.12 2.60 1.02 -1.26 -4.93 118.68 119.12 2kcd s LEU 113 Ca 0.42 1.18 0.08 0.00 0.02 0.00 0.00 54.13 55.83 2kcd s LEU 113 Cb -0.28 -3.03 0.45 0.00 0.02 0.00 0.00 46.19 43.35 2kcd s LEU 113 CO 0.35 -0.05 1.20 -1.84 0.02 0.00 0.00 176.35 176.03 2kcd n GLU 114 N 3.47 3.09 -3.06 1.70 0.28 -1.26 -4.92 120.64 119.94 2kcd n GLU 114 Ca -0.03 -1.74 -0.08 0.00 -0.16 0.00 0.00 57.16 55.16 2kcd n GLU 114 Cb 0.51 -1.88 0.01 0.00 1.43 0.00 0.00 31.44 31.50 2kcd n GLU 114 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kcd n HIS 115 N 0.38 -3.11 -0.22 -1.84 8.25 -1.26 -4.90 115.22 112.52 2kcd n HIS 115 Ca 0.15 1.23 -0.08 0.00 -0.26 0.00 0.00 57.72 58.77 2kcd n HIS 115 Cb 0.75 -3.86 0.03 0.00 1.12 0.00 0.00 29.99 28.03 2kcd n HIS 115 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2kcd h HIS 116 N 1.14 0.97 -3.25 4.41 2.76 -2.01 -3.42 115.15 115.75 2kcd h HIS 116 Ca -0.08 -0.09 -0.53 0.00 -2.20 0.00 0.00 60.37 57.47 2kcd h HIS 116 Cb 1.06 -0.28 0.02 0.00 1.55 0.00 0.00 27.41 29.75 2kcd h HIS 116 CO 0.15 0.79 0.63 -1.01 -1.30 0.00 0.00 177.93 177.19 2kcd s HIS 117 N -5.45 3.33 -0.95 5.26 3.76 -1.26 -4.90 115.29 115.08 2kcd s HIS 117 Ca -0.13 1.21 0.25 0.00 -0.15 0.00 0.00 55.06 56.24 2kcd s HIS 117 Cb 0.13 -3.54 0.54 0.00 1.11 0.00 0.00 32.58 30.81 2kcd s HIS 117 CO 0.81 -1.74 1.44 0.72 -0.85 0.00 0.00 174.74 175.12 2kcd n HIS 118 N 3.30 0.07 -0.25 1.40 8.25 -1.26 -3.97 115.22 122.76 2kcd n HIS 118 Ca 0.08 0.02 -0.06 0.00 -0.26 0.00 0.00 57.72 57.50 2kcd n HIS 118 Cb 0.44 -0.32 0.05 0.00 1.12 0.00 0.00 29.99 31.28 2kcd n HIS 118 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kcd h HIS 119 N 0.00 0.91 0.00 4.41 3.86 -1.96 -3.55 115.15 118.82 2kcd h HIS 119 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kcd h HIS 119 Cb 0.53 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2kcd h HIS 119 CO 0.00 0.62 0.00 0.72 0.86 0.00 0.00 177.93 180.13