#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 -0.25 3.17 5.66 -1.26 -4.61 114.28 117.00 2kcd n THR 2 Ca 0.00 -0.09 -0.07 0.00 -3.05 0.00 0.00 64.05 60.84 2kcd n THR 2 Cb 0.00 0.46 0.04 0.00 -1.55 0.00 0.00 70.33 69.28 2kcd n THR 2 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2kcd h LEU 3 N 0.00 0.98 -1.06 1.09 5.85 -2.06 -2.40 115.31 117.71 2kcd h LEU 3 Ca 0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2kcd h LEU 3 Cb 0.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2kcd h LEU 3 CO 0.00 0.91 0.50 -0.08 -0.34 0.00 0.00 178.44 179.43 2kcd h GLU 4 N 0.99 1.14 -0.65 1.25 4.81 -2.01 -2.04 114.58 118.07 2kcd h GLU 4 Ca 0.22 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2kcd h GLU 4 Cb 0.27 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2kcd h GLU 4 CO -0.01 0.81 0.24 -0.07 -0.73 0.00 0.00 179.01 179.24 2kcd h LEU 5 N 1.16 0.92 -1.04 1.64 4.07 -1.70 -2.52 115.31 117.84 2kcd h LEU 5 Ca 0.30 -0.18 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 2kcd h LEU 5 Cb -0.04 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 2kcd h LEU 5 CO -0.06 0.85 0.11 1.56 -1.08 0.00 0.00 178.44 179.83 2kcd h GLN 6 N 0.93 0.80 -0.69 1.13 4.20 -0.95 -2.49 115.11 118.04 2kcd h GLN 6 Ca 0.21 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2kcd h GLN 6 Cb 0.24 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2kcd h GLN 6 CO -0.01 0.74 0.34 1.25 -0.67 0.00 0.00 178.83 180.47 2kcd h LEU 7 N 0.77 0.89 -0.62 1.46 5.85 -0.98 0.16 115.31 122.84 2kcd h LEU 7 Ca 0.17 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2kcd h LEU 7 Cb 0.31 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2kcd h LEU 7 CO 0.00 0.76 0.32 0.11 -0.34 0.00 0.00 178.44 179.29 2kcd h LYS 8 N 0.95 0.87 -0.36 1.25 1.57 -1.09 -0.77 116.57 118.99 2kcd h LYS 8 Ca 0.24 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2kcd h LYS 8 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2kcd h LYS 8 CO -0.03 0.68 -0.20 0.45 -0.57 0.00 0.00 179.45 179.78 2kcd h HIS 9 N 0.84 0.90 -0.33 -1.35 3.86 -1.04 -2.40 115.15 115.64 2kcd h HIS 9 Ca 0.22 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2kcd h HIS 9 Cb 0.08 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2kcd h HIS 9 CO -0.00 0.98 0.16 -0.92 0.86 0.00 0.00 177.93 179.00 2kcd h TYR 10 N 0.57 0.47 -0.51 2.45 3.20 -0.41 -1.59 116.97 121.15 2kcd h TYR 10 Ca 0.08 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2kcd h TYR 10 Cb 0.76 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2kcd h TYR 10 CO 0.06 0.41 0.18 0.82 -1.64 0.00 0.00 178.16 177.99 2kcd h ILE 11 N 0.40 1.22 -0.33 1.81 2.04 -1.14 0.45 117.51 121.96 2kcd h ILE 11 Ca 0.11 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2kcd h ILE 11 Cb 0.11 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2kcd h ILE 11 CO -0.01 0.27 0.11 0.71 0.00 0.00 0.00 178.15 179.23 2kcd h THR 12 N 0.69 1.20 -0.50 -0.27 1.35 -1.28 -0.79 112.91 113.30 2kcd h THR 12 Ca 0.17 -0.62 -0.10 0.00 -0.55 0.00 0.00 66.41 65.30 2kcd h THR 12 Cb 0.25 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 2kcd h THR 12 CO -0.01 0.21 -0.10 -1.13 -0.25 0.00 0.00 175.52 174.25 2kcd h ASN 13 N 0.38 0.95 -0.47 5.36 -0.73 -1.18 2.52 115.58 122.40 2kcd h ASN 13 Ca 0.11 -0.35 -0.04 0.00 1.87 0.00 0.00 56.30 57.89 2kcd h ASN 13 Cb 0.22 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.53 2kcd h ASN 13 CO -0.01 1.08 0.14 0.25 -0.37 0.00 0.00 177.43 178.52 2kcd h LEU 14 N 0.80 0.69 -1.82 0.34 5.85 -0.75 -2.86 115.31 117.57 2kcd h LEU 14 Ca 0.13 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kcd h LEU 14 Cb 0.65 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kcd h LEU 14 CO 0.04 0.72 -0.02 0.49 -0.34 0.00 0.00 178.44 179.34 2kcd n PHE 15 N -4.52 0.00 -3.68 1.25 3.72 -0.32 -4.95 117.46 108.96 2kcd n PHE 15 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 2kcd n PHE 15 Cb 0.20 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 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 1.21 -5.37 -4.88 4.37 5.15 0.81 -4.97 115.26 111.58 2kcd n ASN 16 Ca 0.14 -0.63 -0.33 0.00 -0.60 0.00 0.00 54.58 53.16 2kcd n ASN 16 Cb 0.58 -4.66 -0.05 0.00 -0.53 0.00 0.00 39.78 35.11 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 -7.21 4.29 0.43 1.20 1.43 0.94 -4.97 118.68 114.79 2kcd s LEU 17 Ca 0.54 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 54.14 2kcd s LEU 17 Cb -0.25 -3.21 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 2kcd s LEU 17 CO 0.76 0.09 1.28 -2.16 0.23 0.00 0.00 176.35 176.56 2kcd s PRO 18 N -2.30 3.86 0.00 1.29 0.04 -1.26 -4.67 135.00 131.96 2kcd s PRO 18 Ca 0.38 2.10 0.29 0.00 0.04 0.00 0.00 61.00 63.81 2kcd s PRO 18 Cb -0.13 -2.65 1.26 0.00 0.04 0.00 0.00 34.50 33.02 2kcd s PRO 18 CO 0.21 -0.57 1.93 0.54 0.04 0.00 0.00 177.00 179.15 2kcd n ARG 19 N -0.08 0.12 -0.00 4.56 1.74 -1.26 -3.07 116.66 118.66 2kcd n ARG 19 Ca 0.05 -0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 2kcd n ARG 19 Cb 0.44 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.44 0.13 -4.65 0.55 8.00 -1.26 -4.77 116.55 113.11 2kcd n ASP 20 Ca 0.09 -1.28 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 2kcd n ASP 20 Cb 0.32 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -1.99 4.23 0.16 -1.24 2.56 -1.18 -5.01 118.70 116.23 2kcd s GLU 21 Ca 0.36 1.10 -0.30 0.00 0.00 0.00 0.00 54.97 56.13 2kcd s GLU 21 Cb 0.17 -3.63 -0.08 0.00 2.00 0.00 0.00 34.13 32.59 2kcd s GLU 21 CO 0.28 -0.53 1.20 0.21 -0.56 0.00 0.00 175.26 175.87 2kcd s LYS 22 N 2.85 4.48 0.05 4.30 2.20 -1.26 -5.02 119.74 127.33 2kcd s LYS 22 Ca 0.39 1.86 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 2kcd s LYS 22 Cb -0.15 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2kcd s LYS 22 CO 0.08 -0.13 0.17 -1.58 -0.36 0.00 0.00 175.35 173.53 2kcd s TRP 23 N 0.21 3.44 -0.20 4.03 0.51 -1.26 -4.59 118.94 121.08 2kcd s TRP 23 Ca 0.54 0.22 -0.05 0.00 -2.12 0.00 0.00 56.10 54.70 2kcd s TRP 23 Cb -0.32 -1.74 -0.02 0.00 -0.81 0.00 0.00 33.47 30.58 2kcd s TRP 23 CO 0.35 0.58 -0.01 -2.00 -0.51 0.00 0.00 176.95 175.35 2kcd s GLU 24 N -2.37 3.56 0.12 4.98 2.56 -0.52 -4.91 118.70 122.12 2kcd s GLU 24 Ca 0.32 -0.55 -0.30 0.00 0.00 0.00 0.00 54.97 54.45 2kcd s GLU 24 Cb -0.13 -3.04 -0.06 0.00 2.00 0.00 0.00 34.13 32.90 2kcd s GLU 24 CO 0.25 -0.01 0.95 0.00 -0.56 0.00 0.00 175.26 175.89 2kcd s GLU 26 N -0.09 0.68 -0.24 0.00 2.12 -0.61 -5.00 118.70 115.56 2kcd s GLU 26 Ca 0.46 -0.86 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 2kcd s GLU 26 Cb -0.23 -1.96 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 2kcd s GLU 26 CO 0.30 -0.89 0.21 -1.54 -0.54 0.00 0.00 175.26 172.79 2kcd s SER 27 N 1.71 6.14 -0.07 -1.70 1.04 -1.26 -1.09 113.70 118.47 2kcd s SER 27 Ca 0.07 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.60 2kcd s SER 27 Cb -0.17 -2.13 0.03 0.00 0.10 0.00 0.00 66.02 63.85 2kcd s SER 27 CO -0.22 0.01 0.16 -0.51 0.98 0.00 0.00 173.24 173.66 2kcd s ILE 28 N 1.28 -0.03 -0.11 -1.02 2.07 -0.77 -5.02 121.20 117.60 2kcd s ILE 28 Ca 0.09 0.11 -0.21 0.00 -1.41 0.00 0.00 60.65 59.24 2kcd s ILE 28 Cb -0.14 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.17 2kcd s ILE 28 CO 0.06 0.05 0.59 -0.70 -1.91 0.00 0.00 174.94 173.03 2kcd s GLU 29 N 0.80 4.36 0.26 3.50 2.12 -1.26 -1.37 118.70 127.10 2kcd s GLU 29 Ca -0.06 0.64 -0.19 0.00 0.36 0.00 0.00 54.97 55.73 2kcd s GLU 29 Cb -0.08 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.87 2kcd s GLU 29 CO -0.04 0.06 0.63 -1.83 -0.54 0.00 0.00 175.26 173.54 2kcd s GLU 30 N 0.89 1.66 0.24 4.30 -1.05 -1.12 -4.96 118.70 118.67 2kcd s GLU 30 Ca 0.31 -1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 53.81 2kcd s GLU 30 Cb -0.16 0.56 -0.09 0.00 -0.44 0.00 0.00 34.13 34.00 2kcd s GLU 30 CO 0.13 -0.74 1.34 0.08 0.95 0.00 0.00 175.26 177.02 2kcd s VAL 31 N -3.93 2.98 0.16 1.83 1.01 -1.26 -2.07 120.40 119.12 2kcd s VAL 31 Ca 0.13 0.84 -0.15 0.00 0.00 0.00 0.00 61.98 62.80 2kcd s VAL 31 Cb -0.04 -3.54 0.05 0.00 0.00 0.00 0.00 36.38 32.85 2kcd s VAL 31 CO 0.06 0.14 1.75 0.00 0.00 0.00 0.00 175.10 177.04 2kcd h ALA 32 N 4.88 0.47 0.00 5.51 0.00 -1.73 0.68 119.26 129.07 2kcd h ALA 32 Ca -0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kcd h ALA 32 Cb 1.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kcd h ALA 32 CO 0.75 -0.26 0.10 -3.47 0.00 0.00 0.00 179.25 176.37 2kcd n ASP 33 N -5.03 0.37 -0.16 0.00 -0.08 -1.26 -0.33 116.55 110.06 2kcd n ASP 33 Ca 0.02 0.63 -0.09 0.00 -1.51 0.00 0.00 54.79 53.84 2kcd n ASP 33 Cb 0.16 -0.64 0.06 0.00 2.34 0.00 0.00 41.12 43.03 2kcd n ASP 33 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kcd h ASP 34 N 0.00 0.94 -0.00 1.67 1.82 -1.22 -3.30 116.42 116.33 2kcd h ASP 34 Ca 0.00 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 2kcd h ASP 34 Cb 0.21 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.96 2kcd h ASP 34 CO 0.00 1.06 -0.16 2.30 -1.61 0.00 0.00 179.24 180.83 2kcd n ILE 35 N -4.15 0.00 -3.65 2.25 -5.35 -0.58 -4.95 119.36 102.94 2kcd n ILE 35 Ca 0.02 -0.42 -0.38 0.00 -0.27 0.00 0.00 62.75 61.69 2kcd n ILE 35 Cb 0.39 1.01 -0.12 0.00 -1.74 0.00 0.00 39.64 39.18 2kcd n ILE 35 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2kcd s LEU 36 N -2.03 4.09 0.30 7.28 1.43 0.55 -5.06 118.68 125.24 2kcd s LEU 36 Ca 0.02 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 2kcd s LEU 36 Cb 0.03 -2.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.10 2kcd s LEU 36 CO 0.14 -0.18 0.99 -2.65 0.23 0.00 0.00 176.35 174.89 2kcd n PRO 37 N 4.99 1.32 0.00 1.29 -0.02 -1.26 -4.40 135.00 136.92 2kcd n PRO 37 Ca -0.14 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2kcd n PRO 37 Cb 0.49 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2kcd n PRO 37 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2kcd n ASP 38 N 1.19 0.00 -0.16 2.55 2.03 -1.26 -1.63 116.55 119.27 2kcd n ASP 38 Ca 0.10 0.30 -0.08 0.00 0.52 0.00 0.00 54.79 55.62 2kcd n ASP 38 Cb 0.32 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 2kcd n ASP 38 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2kcd h GLN 39 N 0.00 0.68 -0.01 -0.67 4.15 -2.01 -3.03 115.11 114.22 2kcd h GLN 39 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2kcd h GLN 39 Cb 0.26 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.83 2kcd h GLN 39 CO 0.00 0.60 -0.51 0.98 -1.93 0.00 0.00 178.83 177.97 2kcd n TYR 40 N -4.61 0.00 -4.76 3.99 9.36 -0.64 -4.89 117.16 115.61 2kcd n TYR 40 Ca 0.01 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.94 2kcd n TYR 40 Cb 0.14 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.68 2kcd n TYR 40 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2kcd s VAL 41 N -2.34 1.70 0.00 2.97 1.01 -1.06 -4.97 120.40 117.71 2kcd s VAL 41 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2kcd s VAL 41 Cb 0.16 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2kcd s VAL 41 CO 0.55 0.48 0.00 -2.11 0.00 0.00 0.00 175.10 174.03 2kcd n ARG 42 N 3.89 0.00 -0.21 2.72 1.85 -1.26 -4.28 116.66 119.37 2kcd n ARG 42 Ca -0.20 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.77 2kcd n ARG 42 Cb 0.52 0.00 0.25 0.00 -1.05 0.00 0.00 32.46 32.18 2kcd n ARG 42 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2kcd n LEU 43 N 0.00 3.26 0.00 2.89 4.32 -1.26 -4.17 117.00 122.03 2kcd n LEU 43 Ca 0.00 -1.45 -0.17 0.00 -0.02 0.00 0.00 56.01 54.37 2kcd n LEU 43 Cb 0.00 -0.27 0.16 0.00 -1.62 0.00 0.00 43.42 41.68 2kcd n LEU 43 CO 0.00 0.73 0.27 0.61 -1.22 0.00 0.00 177.39 177.77 2kcd n GLY 44 N 1.47 -3.31 0.32 -0.72 0.00 -1.26 -4.68 105.19 97.01 2kcd n GLY 44 Ca 0.20 -1.36 0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 0.16 -0.01 1.61 0.11 -1.98 0.10 132.00 131.99 2kcd h PRO 45 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2kcd h PRO 45 Cb 0.74 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2kcd h PRO 45 CO 0.14 0.10 0.00 1.28 -0.21 0.00 0.00 178.00 179.32 2kcd n LEU 46 N -4.48 0.45 -4.70 2.35 4.77 -1.26 -4.68 117.00 109.45 2kcd n LEU 46 Ca 0.04 -0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.43 2kcd n LEU 46 Cb 0.27 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2kcd n LEU 46 CO 0.35 0.08 1.13 -1.54 -1.33 0.00 0.00 177.39 176.07 2kcd n SER 47 N -0.64 3.26 -1.30 -1.43 3.41 0.35 -1.48 113.62 115.80 2kcd n SER 47 Ca 0.22 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 2kcd n SER 47 Cb 0.18 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 2kcd n SER 47 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2kcd n ASN 48 N 2.28 -0.20 -4.74 4.04 0.23 -1.26 -4.83 115.26 110.77 2kcd n ASN 48 Ca 0.11 0.10 -0.40 0.00 -0.53 0.00 0.00 54.58 53.86 2kcd n ASN 48 Cb 0.34 -0.60 -0.05 0.00 -2.08 0.00 0.00 39.78 37.39 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2kcd s LYS 49 N -2.59 4.53 -0.40 -3.83 2.47 -0.55 -4.95 119.74 114.42 2kcd s LYS 49 Ca 0.00 1.12 -0.23 0.00 -1.56 0.00 0.00 55.97 55.31 2kcd s LYS 49 Cb 0.00 -3.36 0.02 0.00 -1.46 0.00 0.00 37.83 33.03 2kcd s LYS 49 CO 0.00 0.29 0.75 0.42 0.16 0.00 0.00 175.35 176.97 2kcd s ILE 50 N -0.11 4.73 0.06 5.43 1.01 -1.26 -2.12 121.20 128.93 2kcd s ILE 50 Ca 0.39 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.70 2kcd s ILE 50 Cb -0.21 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2kcd s ILE 50 CO 0.24 -0.55 -0.08 -0.76 0.00 0.00 0.00 174.94 173.80 2kcd s LEU 51 N 3.11 3.13 -0.41 2.97 1.02 -0.88 -4.93 118.68 122.69 2kcd s LEU 51 Ca 0.29 -0.27 -0.29 0.00 0.02 0.00 0.00 54.13 53.88 2kcd s LEU 51 Cb -0.13 -1.87 0.02 0.00 0.02 0.00 0.00 46.19 44.24 2kcd s LEU 51 CO 0.19 0.22 1.11 -1.10 0.02 0.00 0.00 176.35 176.79 2kcd s GLN 52 N -1.90 3.88 -0.37 1.70 -0.21 -0.93 -2.78 119.66 119.05 2kcd s GLN 52 Ca 0.20 0.80 -0.18 0.00 0.02 0.00 0.00 55.36 56.20 2kcd s GLN 52 Cb -0.11 -3.83 0.00 0.00 1.00 0.00 0.00 33.01 30.07 2kcd s GLN 52 CO 0.12 -1.16 0.51 0.95 -2.12 0.00 0.00 175.29 173.58 2kcd s THR 53 N 4.10 5.01 -0.47 -0.19 -4.23 -0.47 -2.00 115.64 117.39 2kcd s THR 53 Ca 0.47 0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 61.11 2kcd s THR 53 Cb -0.09 -3.99 0.11 0.00 1.34 0.00 0.00 72.50 69.87 2kcd s THR 53 CO 0.24 -0.27 0.34 0.20 -0.54 0.00 0.00 174.62 174.59 2kcd s ASN 54 N 1.79 5.71 -0.18 3.99 0.01 -0.94 -1.85 114.94 123.47 2kcd s ASN 54 Ca 0.18 -1.84 -0.15 0.00 -0.71 0.00 0.00 52.86 50.34 2kcd s ASN 54 Cb -0.16 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 2kcd s ASN 54 CO 0.14 -0.68 0.34 -0.89 -1.51 0.00 0.00 177.10 174.50 2kcd s THR 55 N 1.38 5.26 -0.17 1.60 2.01 -0.25 -1.95 115.64 123.52 2kcd s THR 55 Ca 0.05 0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 2kcd s THR 55 Cb -0.26 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 2kcd s THR 55 CO -0.00 0.33 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.87 2kcd s TYR 56 N 0.86 2.92 0.11 4.92 1.51 -0.74 -1.57 117.35 125.36 2kcd s TYR 56 Ca 0.17 -0.70 -0.13 0.00 -1.01 0.00 0.00 57.07 55.41 2kcd s TYR 56 Cb -0.14 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2kcd s TYR 56 CO 0.06 -0.32 0.32 1.52 -1.11 0.00 0.00 175.55 176.02 2kcd s TYR 57 N 0.82 -0.06 0.12 2.71 1.13 -1.09 -3.90 117.35 117.09 2kcd s TYR 57 Ca -0.02 -0.30 0.02 0.00 -1.41 0.00 0.00 57.07 55.36 2kcd s TYR 57 Cb -0.15 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2kcd s TYR 57 CO 0.01 -0.64 0.08 -1.13 -2.51 0.00 0.00 175.55 171.36 2kcd n SER 58 N -0.16 0.14 -0.18 -0.18 3.41 -1.26 -1.44 113.62 113.95 2kcd n SER 58 Ca -0.16 -1.75 -0.08 0.00 -0.26 0.00 0.00 58.87 56.62 2kcd n SER 58 Cb 0.63 0.51 0.01 0.00 -0.26 0.00 0.00 64.21 65.10 2kcd n SER 58 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2kcd h ASP 59 N 0.66 0.75 -0.18 4.04 3.32 -1.99 0.06 116.42 123.09 2kcd h ASP 59 Ca -0.09 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.74 2kcd h ASP 59 Cb 0.42 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2kcd h ASP 59 CO 0.13 0.75 0.04 0.74 -1.72 0.00 0.00 179.24 179.19 2kcd h THR 60 N 0.70 1.21 -0.60 0.35 2.02 -1.96 -0.39 112.91 114.23 2kcd h THR 60 Ca 0.17 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 2kcd h THR 60 Cb 0.27 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2kcd h THR 60 CO -0.01 0.20 0.23 -0.07 0.37 0.00 0.00 175.52 176.25 2kcd h LEU 61 N 0.09 0.84 -0.70 2.58 4.07 -1.83 -1.22 115.31 119.14 2kcd h LEU 61 Ca 0.06 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 2kcd h LEU 61 Cb 0.27 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 2kcd h LEU 61 CO 0.00 0.79 0.19 -0.74 -1.08 0.00 0.00 178.44 177.60 2kcd h HIS 62 N 0.84 1.15 -0.62 1.13 2.76 -0.86 0.14 115.15 119.69 2kcd h HIS 62 Ca 0.20 -0.13 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2kcd h HIS 62 Cb 0.22 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 2kcd h HIS 62 CO 0.01 0.93 0.08 -0.22 -1.30 0.00 0.00 177.93 177.43 2kcd h LYS 63 N 1.04 1.03 0.00 5.26 3.64 -0.74 -1.77 116.57 125.03 2kcd h LYS 63 Ca 0.22 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2kcd h LYS 63 Cb 0.34 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kcd h LYS 63 CO -0.00 0.96 0.00 0.43 -2.27 0.00 0.00 179.45 178.57 2kcd n SER 64 N -4.21 0.00 -2.42 4.20 7.64 -0.49 -4.87 113.62 113.47 2kcd n SER 64 Ca 0.04 -0.76 -0.15 0.00 1.01 0.00 0.00 58.87 59.01 2kcd n SER 64 Cb 0.30 -0.06 0.05 0.00 -1.01 0.00 0.00 64.21 63.48 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 -1.06 -4.80 -4.22 6.43 5.15 -0.67 -4.65 115.26 111.44 2kcd n ASN 65 Ca 0.21 -0.32 -0.32 0.00 -0.60 0.00 0.00 54.58 53.55 2kcd n ASN 65 Cb 0.13 -3.45 -0.17 0.00 -0.53 0.00 0.00 39.78 35.76 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 -3.15 2.02 -0.42 -1.44 1.01 0.40 -4.03 121.20 115.59 2kcd s ILE 66 Ca 0.34 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2kcd s ILE 66 Cb -0.15 -1.75 0.13 0.00 0.01 0.00 0.00 42.46 40.70 2kcd s ILE 66 CO 0.42 0.55 0.21 -0.31 0.00 0.00 0.00 174.94 175.81 2kcd s TYR 67 N 0.30 2.10 0.26 3.97 2.02 -1.07 -4.10 117.35 120.83 2kcd s TYR 67 Ca -0.17 -2.40 -0.26 0.00 -0.37 0.00 0.00 57.07 53.87 2kcd s TYR 67 Cb -0.17 -1.97 -0.09 0.00 -0.40 0.00 0.00 41.96 39.32 2kcd s TYR 67 CO 0.08 -0.80 0.88 -1.25 -1.57 0.00 0.00 175.55 172.89 2kcd s PRO 68 N 0.54 4.59 0.17 -1.71 0.04 -1.25 -2.59 135.00 134.78 2kcd s PRO 68 Ca 0.16 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 2kcd s PRO 68 Cb -0.23 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.32 2kcd s PRO 68 CO -0.04 0.41 0.43 -0.59 0.04 0.00 0.00 177.00 177.25 2kcd s PHE 69 N -1.42 -0.01 0.05 0.56 -0.12 -0.85 -1.80 117.98 114.40 2kcd s PHE 69 Ca 0.44 -0.33 0.05 0.00 -0.05 0.00 0.00 56.93 57.03 2kcd s PHE 69 Cb -0.21 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2kcd s PHE 69 CO 0.26 -0.81 -0.13 0.42 -0.05 0.00 0.00 175.22 174.91 2kcd s ILE 70 N -3.88 1.01 -0.12 -4.49 1.01 -0.82 -2.90 121.20 111.01 2kcd s ILE 70 Ca 0.09 -1.12 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 2kcd s ILE 70 Cb 0.01 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2kcd s ILE 70 CO -0.05 -0.15 0.10 -0.76 0.00 0.00 0.00 174.94 174.08 2kcd s LEU 71 N -1.43 4.11 -0.02 2.97 1.43 -0.79 -2.21 118.68 122.74 2kcd s LEU 71 Ca -0.02 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2kcd s LEU 71 Cb -0.09 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 2kcd s LEU 71 CO 0.02 0.37 -0.12 -0.31 0.23 0.00 0.00 176.35 176.53 2kcd s TYR 72 N -0.78 1.15 -0.09 0.29 2.02 -0.85 -2.24 117.35 116.85 2kcd s TYR 72 Ca 0.13 -0.24 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2kcd s TYR 72 Cb -0.12 -0.76 0.04 0.00 -0.40 0.00 0.00 41.96 40.73 2kcd s TYR 72 CO 0.03 -0.05 0.09 -0.47 -1.57 0.00 0.00 175.55 173.58 2kcd s TYR 73 N -0.17 0.06 -1.11 2.71 5.04 0.77 -2.18 117.35 122.47 2kcd s TYR 73 Ca 0.03 0.12 -0.18 0.00 -2.44 0.00 0.00 57.07 54.60 2kcd s TYR 73 Cb -0.06 -0.52 -0.02 0.00 0.35 0.00 0.00 41.96 41.71 2kcd s TYR 73 CO -0.00 -0.31 0.82 0.94 -1.34 0.00 0.00 175.55 175.65 2kcd n GLN 74 N 5.30 -1.41 -4.07 4.97 7.27 -1.26 -1.56 117.38 126.63 2kcd n GLN 74 Ca -0.04 0.55 -0.33 0.00 0.07 0.00 0.00 57.00 57.25 2kcd n GLN 74 Cb 0.50 -4.45 0.00 0.00 2.41 0.00 0.00 30.24 28.70 2kcd n GLN 74 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2kcd n LYS 75 N -3.95 -4.38 -3.67 3.69 4.81 -1.26 -4.94 118.16 108.46 2kcd n LYS 75 Ca -0.09 0.49 -0.09 0.00 -0.87 0.00 0.00 58.31 57.75 2kcd n LYS 75 Cb 0.60 -5.30 -0.10 0.00 0.02 0.00 0.00 35.03 30.24 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 -6.77 0.33 0.29 1.64 2.00 -0.60 -5.14 119.66 111.41 2kcd s GLN 76 Ca 0.70 0.93 -0.29 0.00 -2.00 0.00 0.00 55.36 54.70 2kcd s GLN 76 Cb -0.37 0.19 -0.10 0.00 0.80 0.00 0.00 33.01 33.53 2kcd s GLN 76 CO 0.88 -0.22 1.27 -0.48 -0.50 0.00 0.00 175.29 176.24 2kcd s LEU 77 N 2.19 4.45 -0.17 3.68 0.05 -1.26 -0.17 118.68 127.45 2kcd s LEU 77 Ca -0.04 2.55 -0.01 0.00 0.05 0.00 0.00 54.13 56.68 2kcd s LEU 77 Cb -0.11 -3.64 -0.10 0.00 -2.05 0.00 0.00 46.19 40.30 2kcd s LEU 77 CO -0.12 -0.46 -0.16 -0.38 -0.55 0.00 0.00 176.35 174.68 2kcd n ILE 78 N 1.30 0.94 -3.61 1.48 2.08 -0.95 -4.88 119.36 115.72 2kcd n ILE 78 Ca 0.01 -0.34 -0.10 0.00 0.56 0.00 0.00 62.75 62.89 2kcd n ILE 78 Cb 0.42 -1.20 -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 -2.32 -1.34 0.04 -1.39 0.00 -1.26 -1.73 121.76 113.75 2kcd s ALA 79 Ca -0.22 0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.89 2kcd s ALA 79 Cb 0.06 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2kcd s ALA 79 CO 0.36 -0.85 -0.12 0.42 0.00 0.00 0.00 175.76 175.58 2kcd s ILE 80 N -3.82 0.89 -0.04 0.00 1.01 0.08 -1.89 121.20 117.44 2kcd s ILE 80 Ca 0.05 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 2kcd s ILE 80 Cb -0.02 -0.84 0.12 0.00 0.01 0.00 0.00 42.46 41.72 2kcd s ILE 80 CO -0.06 -0.11 1.24 -0.83 0.00 0.00 0.00 174.94 175.18 2kcd s GLY 81 N -1.23 -0.38 0.07 6.18 0.00 -1.14 -3.18 107.32 107.64 2kcd s GLY 81 Ca -0.02 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 45.41 2kcd s GLY 81 CO 0.01 0.19 0.28 -0.11 0.00 0.00 0.00 173.10 173.48 2kcd s PHE 82 N -2.51 -0.05 -0.23 1.90 -0.71 -0.49 -2.00 117.98 113.90 2kcd s PHE 82 Ca 0.13 -0.20 -0.08 0.00 -1.04 0.00 0.00 56.93 55.74 2kcd s PHE 82 Cb 0.03 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.88 2kcd s PHE 82 CO -0.04 -0.54 0.09 0.42 -1.34 0.00 0.00 175.22 173.82 2kcd s ILE 83 N -3.09 4.74 0.40 -4.49 1.01 -1.07 -0.66 121.20 118.05 2kcd s ILE 83 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.63 2kcd s ILE 83 Cb 0.01 -3.19 0.07 0.00 0.01 0.00 0.00 42.46 39.36 2kcd s ILE 83 CO -0.07 0.37 0.55 -0.90 0.00 0.00 0.00 174.94 174.89 2kcd n ASP 84 N 4.38 1.04 0.22 3.58 5.68 -1.25 -2.58 116.55 127.62 2kcd n ASP 84 Ca -0.16 -1.81 0.14 0.00 -0.50 0.00 0.00 54.79 52.46 2kcd n ASP 84 Cb 0.52 -0.33 0.73 0.00 -1.14 0.00 0.00 41.12 40.90 2kcd n ASP 84 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2kcd h GLU 85 N 0.00 0.00 -0.38 0.11 5.08 -1.83 0.22 114.58 117.79 2kcd h GLU 85 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2kcd h GLU 85 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kcd h GLU 85 CO 0.23 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 2kcd n ASN 86 N -2.49 2.06 0.00 1.42 3.02 -1.26 -4.86 115.26 113.14 2kcd n ASN 86 Ca -0.02 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 2kcd n ASN 86 Cb 0.13 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 2kcd n ASN 86 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2kcd n HIS 87 N 0.62 0.00 -2.76 3.10 8.25 0.79 -4.88 115.22 120.34 2kcd n HIS 87 Ca 0.13 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 2kcd n HIS 87 Cb 0.33 -1.51 -0.03 0.00 1.12 0.00 0.00 29.99 29.89 2kcd n HIS 87 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kcd s ASP 88 N -1.51 6.98 -0.72 0.41 -1.08 -1.26 -4.84 116.67 114.65 2kcd s ASP 88 Ca 0.00 1.23 -0.26 0.00 -0.52 0.00 0.00 52.55 53.00 2kcd s ASP 88 Cb 0.00 -2.49 -0.11 0.00 -1.46 0.00 0.00 42.92 38.86 2kcd s ASP 88 CO 0.00 -0.60 2.34 -0.04 0.52 0.00 0.00 175.17 177.39 2kcd s MET 89 N 3.03 1.85 0.27 4.34 -1.94 -1.26 -3.81 119.30 121.79 2kcd s MET 89 Ca 0.40 0.63 -0.29 0.00 -1.71 0.00 0.00 55.69 54.72 2kcd s MET 89 Cb -0.15 -4.75 -0.09 0.00 2.01 0.00 0.00 34.83 31.84 2kcd s MET 89 CO 0.07 -4.00 1.15 -0.51 -0.01 0.00 0.00 175.02 171.72 2kcd s ASP 90 N 10.80 7.15 -0.15 3.03 1.01 0.17 -4.87 116.67 133.82 2kcd s ASP 90 Ca 0.90 2.34 0.00 0.00 0.71 0.00 0.00 52.55 56.51 2kcd s ASP 90 Cb -0.13 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 2kcd s ASP 90 CO 0.12 -0.25 -0.14 -0.36 0.21 0.00 0.00 175.17 174.75 2kcd s PHE 91 N -0.99 2.79 -0.14 4.23 0.08 -1.26 -1.40 117.98 121.29 2kcd s PHE 91 Ca 0.46 -0.89 0.12 0.00 0.12 0.00 0.00 56.93 56.74 2kcd s PHE 91 Cb -0.33 -1.87 -0.17 0.00 -0.57 0.00 0.00 43.02 40.08 2kcd s PHE 91 CO 0.43 -0.38 0.04 -0.11 -0.10 0.00 0.00 175.22 175.09 2kcd n LEU 92 N 3.87 0.17 -3.31 -0.37 7.94 -1.19 -4.93 117.00 119.16 2kcd n LEU 92 Ca -0.19 -0.01 -0.07 0.00 -1.11 0.00 0.00 56.01 54.63 2kcd n LEU 92 Cb 0.52 0.28 -0.07 0.00 0.53 0.00 0.00 43.42 44.69 2kcd n LEU 92 CO 0.29 0.36 -0.03 -0.47 -1.11 0.00 0.00 177.39 176.43 2kcd s TYR 93 N -2.33 -0.97 -0.19 1.96 5.04 -1.23 -4.57 117.35 115.05 2kcd s TYR 93 Ca -0.08 0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 55.33 2kcd s TYR 93 Cb 0.04 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.38 2kcd s TYR 93 CO 0.55 -0.81 -0.02 -1.17 -1.34 0.00 0.00 175.55 172.77 2kcd s LEU 94 N 2.59 3.20 -0.17 6.97 2.96 -1.26 -0.74 118.68 132.22 2kcd s LEU 94 Ca 0.13 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2kcd s LEU 94 Cb -0.15 -1.80 0.05 0.00 0.50 0.00 0.00 46.19 44.80 2kcd s LEU 94 CO -0.20 0.09 0.03 -2.28 -1.32 0.00 0.00 176.35 172.67 2kcd s HIS 95 N 0.86 0.92 0.76 5.38 5.65 -0.71 -3.98 115.29 124.16 2kcd s HIS 95 Ca 0.00 -0.71 -0.11 0.00 0.25 0.00 0.00 55.06 54.49 2kcd s HIS 95 Cb -0.14 -0.97 0.05 0.00 -1.18 0.00 0.00 32.58 30.34 2kcd s HIS 95 CO 0.02 -0.56 1.13 1.21 -0.65 0.00 0.00 174.74 175.89 2kcd s ASN 96 N 1.89 4.91 0.45 9.88 2.47 -1.25 -4.40 114.94 128.90 2kcd s ASN 96 Ca 0.00 0.88 0.13 0.00 0.42 0.00 0.00 52.86 54.30 2kcd s ASN 96 Cb -0.16 -1.52 1.02 0.00 -1.45 0.00 0.00 41.25 39.14 2kcd s ASN 96 CO -0.08 -1.65 2.03 0.71 -3.72 0.00 0.00 177.10 174.40 2kcd h THR 97 N -0.85 1.10 0.00 -5.21 1.35 -1.99 -3.32 112.91 103.99 2kcd h THR 97 Ca -0.45 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 2kcd h THR 97 Cb 1.30 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2kcd h THR 97 CO 0.65 0.13 0.00 0.52 -0.25 0.00 0.00 175.52 176.57 2kcd n VAL 98 N -4.40 0.00 -3.77 6.82 0.31 -1.26 -5.04 118.33 111.00 2kcd n VAL 98 Ca -0.02 0.42 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 2kcd n VAL 98 Cb 0.18 -1.32 -0.09 0.00 -0.91 0.00 0.00 33.84 31.70 2kcd n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kcd s MET 99 N -0.85 0.59 0.50 5.55 0.23 -1.25 -5.15 119.30 118.92 2kcd s MET 99 Ca 0.00 -0.05 -0.21 0.00 -1.03 0.00 0.00 55.69 54.39 2kcd s MET 99 Cb 0.00 0.27 -0.07 0.00 -1.53 0.00 0.00 34.83 33.50 2kcd s MET 99 CO 0.00 -0.15 1.16 -1.25 -2.03 0.00 0.00 175.02 172.75 2kcd s PRO 100 N -0.98 3.57 -0.02 3.16 0.04 -1.26 -3.83 135.00 135.68 2kcd s PRO 100 Ca -0.10 1.73 0.21 0.00 0.04 0.00 0.00 61.00 62.87 2kcd s PRO 100 Cb -0.05 -2.24 -0.28 0.00 0.04 0.00 0.00 34.50 31.97 2kcd s PRO 100 CO 0.03 -0.70 0.63 1.28 0.04 0.00 0.00 177.00 178.28 2kcd n LEU 101 N -0.84 0.39 0.00 -3.56 4.77 -1.26 -4.90 117.00 111.60 2kcd n LEU 101 Ca 0.09 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2kcd n LEU 101 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2kcd n LEU 101 CO 0.46 0.10 0.00 0.18 -1.33 0.00 0.00 177.39 176.79 2kcd n LEU 102 N -1.93 0.00 -3.53 2.23 4.77 -1.26 -5.01 117.00 112.27 2kcd n LEU 102 Ca -0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 2kcd n LEU 102 Cb 0.46 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2kcd n LEU 102 CO 0.43 0.00 0.11 0.47 -1.33 0.00 0.00 177.39 177.07 2kcd n ASP 103 N -0.41 -5.55 -4.64 -1.43 9.92 -1.26 -4.87 116.55 108.31 2kcd n ASP 103 Ca 0.00 -0.53 -0.43 0.00 -0.53 0.00 0.00 54.79 53.30 2kcd n ASP 103 Cb 0.00 -4.44 -0.02 0.00 -0.64 0.00 0.00 41.12 36.02 2kcd n ASP 103 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kcd s GLN 104 N -6.23 3.93 0.17 -1.24 -1.52 -1.26 -4.87 119.66 108.65 2kcd s GLN 104 Ca 0.52 1.71 -0.07 0.00 -1.95 0.00 0.00 55.36 55.56 2kcd s GLN 104 Cb -0.25 -3.97 0.05 0.00 -0.22 0.00 0.00 33.01 28.62 2kcd s GLN 104 CO 0.64 -1.12 1.51 -0.09 -0.25 0.00 0.00 175.29 175.98 2kcd h ARG 105 N 10.03 0.79 -0.23 2.91 9.65 -1.93 -2.03 114.38 133.57 2kcd h ARG 105 Ca -0.33 -0.43 0.05 0.00 -1.10 0.00 0.00 59.98 58.18 2kcd h ARG 105 Cb 1.14 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.69 2kcd h ARG 105 CO 0.99 1.06 -0.09 1.88 2.80 0.00 0.00 179.97 186.61 2kcd h TYR 106 N 0.65 -0.20 -0.03 2.20 0.05 -1.94 -0.78 116.97 116.93 2kcd h TYR 106 Ca 0.05 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 2kcd h TYR 106 Cb 0.98 0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.83 2kcd h TYR 106 CO 0.05 -0.14 -0.46 -0.07 -1.05 0.00 0.00 178.16 176.49 2kcd h LEU 107 N -0.04 0.06 -0.40 3.88 3.38 -1.93 1.80 115.31 122.05 2kcd h LEU 107 Ca 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kcd h LEU 107 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2kcd h LEU 107 CO -0.26 0.52 0.20 0.25 0.09 0.00 0.00 178.44 179.23 2kcd h LEU 108 N 0.05 0.52 0.00 1.67 6.46 -0.42 -3.40 115.31 120.18 2kcd h LEU 108 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.64 2kcd h LEU 108 Cb 0.84 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2kcd h LEU 108 CO 0.06 0.49 -0.32 0.35 -0.62 0.00 0.00 178.44 178.41 2kcd n THR 109 N -4.70 0.00 -0.29 1.05 -2.24 -0.54 -4.80 114.28 102.76 2kcd n THR 109 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kcd n THR 109 Cb 0.10 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcd n GLY 110 N 2.03 3.42 2.03 3.38 0.00 0.61 -4.88 105.19 111.78 2kcd n GLY 110 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.35 3.14 -0.02 0.00 -1.26 -4.98 105.19 102.41 2kcd n GLY 111 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 2kcd n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcd n GLN 112 N -1.47 -0.05 -2.39 1.61 3.00 -1.26 -4.83 117.38 111.98 2kcd n GLN 112 Ca -0.02 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2kcd n GLN 112 Cb 0.42 -1.25 -0.03 0.00 0.00 0.00 0.00 30.24 29.39 2kcd n GLN 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2kcd s LEU 113 N 5.20 4.39 -0.18 1.08 2.96 -1.26 -5.02 118.68 125.85 2kcd s LEU 113 Ca 0.46 2.10 -0.04 0.00 -0.22 0.00 0.00 54.13 56.43 2kcd s LEU 113 Cb -0.22 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.86 2kcd s LEU 113 CO 0.77 -0.46 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.61 2kcd s GLU 114 N 0.74 3.59 -0.34 1.98 2.12 -1.26 -5.07 118.70 120.45 2kcd s GLU 114 Ca 0.58 -0.54 -0.26 0.00 0.36 0.00 0.00 54.97 55.11 2kcd s GLU 114 Cb -0.31 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.10 2kcd s GLU 114 CO 0.31 0.07 0.92 -1.01 -0.54 0.00 0.00 175.26 175.01 2kcd s HIS 115 N 0.83 3.12 0.16 5.30 3.76 -1.26 -4.92 115.29 122.28 2kcd s HIS 115 Ca -0.00 0.86 -0.11 0.00 -0.15 0.00 0.00 55.06 55.66 2kcd s HIS 115 Cb -0.14 -3.54 0.01 0.00 1.11 0.00 0.00 32.58 30.02 2kcd s HIS 115 CO 0.02 -0.75 1.57 0.45 -0.85 0.00 0.00 174.74 175.18 2kcd h HIS 116 N 8.31 1.07 -3.42 1.40 -0.00 -2.05 -3.46 115.15 116.99 2kcd h HIS 116 Ca -0.23 -0.23 -0.04 0.00 -0.00 0.00 0.00 60.37 59.88 2kcd h HIS 116 Cb 1.08 -0.26 -0.10 0.00 -0.00 0.00 0.00 27.41 28.12 2kcd h HIS 116 CO 0.82 1.02 -0.04 -3.38 -0.00 0.00 0.00 177.93 176.35 2kcd s HIS 117 N -4.83 -0.00 -0.20 2.45 -3.43 -1.26 -5.15 115.29 102.87 2kcd s HIS 117 Ca -0.12 -0.35 -0.07 0.00 -0.80 0.00 0.00 55.06 53.72 2kcd s HIS 117 Cb 0.12 0.30 -0.04 0.00 -1.43 0.00 0.00 32.58 31.54 2kcd s HIS 117 CO 0.85 -0.89 0.06 -1.01 -2.00 0.00 0.00 174.74 171.75 2kcd s HIS 118 N -3.90 3.19 0.24 0.38 3.76 -1.26 -5.09 115.29 112.62 2kcd s HIS 118 Ca 0.11 -0.07 -0.28 0.00 -0.15 0.00 0.00 55.06 54.68 2kcd s HIS 118 Cb -0.00 -2.11 -0.09 0.00 1.11 0.00 0.00 32.58 31.49 2kcd s HIS 118 CO -0.02 0.01 0.90 -3.38 -0.85 0.00 0.00 174.74 171.41 2kcd s HIS 119 N 0.69 3.90 -2.00 1.40 -3.43 -1.26 -5.30 115.29 109.29 2kcd s HIS 119 Ca 0.03 1.82 0.06 0.00 -0.80 0.00 0.00 55.06 56.17 2kcd s HIS 119 Cb -0.13 -2.91 0.35 0.00 -1.43 0.00 0.00 32.58 28.46 2kcd s HIS 119 CO 0.02 0.42 0.82 0.72 -2.00 0.00 0.00 174.74 174.72