#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcd s THR 2 N 0.00 5.05 0.20 2.03 -4.23 -1.26 -4.95 115.64 112.48 2kcd s THR 2 Ca 0.00 -0.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.88 2kcd s THR 2 Cb 0.00 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.24 2kcd s THR 2 CO 0.00 -0.16 1.74 0.25 -0.54 0.00 0.00 174.62 175.91 2kcd h LEU 3 N 8.52 1.03 -1.17 4.79 5.85 -2.01 -2.62 115.31 129.69 2kcd h LEU 3 Ca -0.29 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.25 2kcd h LEU 3 Cb 1.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 2kcd h LEU 3 CO 0.68 0.95 0.57 1.05 -0.34 0.00 0.00 178.44 181.34 2kcd h GLU 4 N 1.05 1.11 -0.64 1.25 4.11 -2.00 -1.95 114.58 117.51 2kcd h GLU 4 Ca 0.23 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.56 2kcd h GLU 4 Cb 0.27 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2kcd h GLU 4 CO -0.01 0.74 0.25 1.25 0.07 0.00 0.00 179.01 181.31 2kcd h LEU 5 N 1.15 0.89 -0.64 3.06 5.85 -1.89 -1.74 115.31 121.99 2kcd h LEU 5 Ca 0.32 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2kcd h LEU 5 Cb -0.12 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 2kcd h LEU 5 CO -0.07 0.82 0.39 1.56 -0.34 0.00 0.00 178.44 180.80 2kcd h GLN 6 N 0.90 0.75 -0.72 1.25 7.50 -1.16 -1.42 115.11 122.21 2kcd h GLN 6 Ca 0.21 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.29 2kcd h GLN 6 Cb 0.21 -0.17 -0.03 0.00 0.05 0.00 0.00 27.48 27.54 2kcd h GLN 6 CO -0.02 0.49 0.35 1.25 -1.50 0.00 0.00 178.83 179.41 2kcd h LEU 7 N 0.77 0.93 -0.88 1.46 5.85 -1.03 0.15 115.31 122.55 2kcd h LEU 7 Ca 0.26 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2kcd h LEU 7 Cb 0.03 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2kcd h LEU 7 CO -0.11 0.79 0.53 0.11 -0.34 0.00 0.00 178.44 179.43 2kcd h LYS 8 N 1.00 1.20 -0.17 1.25 1.57 -0.54 -0.21 116.57 120.66 2kcd h LYS 8 Ca 0.25 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.71 2kcd h LYS 8 Cb 0.10 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.17 2kcd h LYS 8 CO -0.03 0.84 -0.73 1.25 -0.57 0.00 0.00 179.45 180.21 2kcd h HIS 9 N 1.21 1.00 -0.07 -1.35 2.76 -0.80 -2.21 115.15 115.70 2kcd h HIS 9 Ca 0.32 -0.42 -0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2kcd h HIS 9 Cb -0.05 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.74 2kcd h HIS 9 CO 0.00 1.25 0.03 -0.92 -1.30 0.00 0.00 177.93 176.98 2kcd h TYR 10 N 0.53 0.10 -0.51 5.26 3.20 -0.25 -1.52 116.97 123.78 2kcd h TYR 10 Ca -0.04 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.70 2kcd h TYR 10 Cb 1.34 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 2kcd h TYR 10 CO 0.08 0.21 -0.18 0.97 -1.64 0.00 0.00 178.16 177.60 2kcd h ILE 11 N -0.04 1.27 -0.67 1.81 2.10 -1.12 -1.59 117.51 119.28 2kcd h ILE 11 Ca 0.02 -1.34 0.00 0.00 1.08 0.00 0.00 64.86 64.62 2kcd h ILE 11 Cb 0.15 1.06 -0.03 0.00 -1.09 0.00 0.00 36.82 36.91 2kcd h ILE 11 CO -0.00 0.47 0.42 0.71 -1.08 0.00 0.00 178.15 178.67 2kcd h THR 12 N 0.88 1.18 -0.56 2.19 1.35 -1.30 -0.27 112.91 116.38 2kcd h THR 12 Ca 0.12 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.51 2kcd h THR 12 Cb 0.76 0.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 2kcd h THR 12 CO 0.06 0.18 -0.07 0.78 -0.25 0.00 0.00 175.52 176.23 2kcd h ASN 13 N 0.90 1.02 -0.52 5.36 2.35 -1.13 3.35 115.58 126.91 2kcd h ASN 13 Ca 0.24 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2kcd h ASN 13 Cb -0.07 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 2kcd h ASN 13 CO -0.05 1.10 0.27 0.25 -1.65 0.00 0.00 177.43 177.35 2kcd h LEU 14 N 0.92 0.66 -1.57 1.61 5.85 -0.63 -2.37 115.31 119.77 2kcd h LEU 14 Ca 0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kcd h LEU 14 Cb 0.62 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2kcd h LEU 14 CO 0.04 0.58 -0.08 0.49 -0.34 0.00 0.00 178.44 179.13 2kcd n PHE 15 N -4.62 0.00 -3.18 1.25 3.72 -0.17 -4.94 117.46 109.52 2kcd n PHE 15 Ca 0.02 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 2kcd n PHE 15 Cb 0.10 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.65 2kcd n PHE 15 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kcd n ASN 16 N 0.87 -4.97 -4.85 4.37 5.03 1.08 -4.94 115.26 111.84 2kcd n ASN 16 Ca 0.14 -0.33 -0.32 0.00 0.87 0.00 0.00 54.58 54.94 2kcd n ASN 16 Cb 0.53 -4.05 -0.04 0.00 -1.02 0.00 0.00 39.78 35.20 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kcd s LEU 17 N -6.59 3.75 0.16 3.41 1.43 0.97 -4.94 118.68 116.87 2kcd s LEU 17 Ca 0.35 1.44 -0.33 0.00 -1.03 0.00 0.00 54.13 54.55 2kcd s LEU 17 Cb -0.17 -4.35 -0.16 0.00 0.03 0.00 0.00 46.19 41.55 2kcd s LEU 17 CO 0.43 -0.48 1.25 -2.65 0.23 0.00 0.00 176.35 175.12 2kcd n PRO 18 N -1.30 1.31 0.05 1.29 -0.02 -1.26 -4.70 135.00 130.35 2kcd n PRO 18 Ca 0.05 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.11 2kcd n PRO 18 Cb 0.54 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2kcd n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kcd n ARG 19 N 2.02 0.49 0.00 -0.52 1.74 -1.26 -3.97 116.66 115.16 2kcd n ARG 19 Ca 0.15 -0.01 0.14 0.00 -0.77 0.00 0.00 57.85 57.37 2kcd n ARG 19 Cb 0.24 -1.66 0.52 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.29 1.31 -4.53 0.55 8.00 -1.26 -4.77 116.55 113.56 2kcd n ASP 20 Ca -0.00 -1.34 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 2kcd n ASP 20 Cb 0.51 0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 2kcd n ASP 20 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kcd s GLU 21 N -2.10 3.36 0.37 -1.24 0.41 -1.25 -5.03 118.70 113.21 2kcd s GLU 21 Ca 0.36 -0.21 -0.24 0.00 -0.41 0.00 0.00 54.97 54.47 2kcd s GLU 21 Cb 0.21 -3.95 -0.10 0.00 -1.78 0.00 0.00 34.13 28.50 2kcd s GLU 21 CO 0.37 -1.11 0.96 0.21 -0.49 0.00 0.00 175.26 175.19 2kcd s LYS 22 N 3.18 4.42 0.47 1.61 2.20 -1.26 -5.05 119.74 125.32 2kcd s LYS 22 Ca 0.28 1.27 0.08 0.00 -0.36 0.00 0.00 55.97 57.24 2kcd s LYS 22 Cb -0.13 -2.56 0.02 0.00 -1.51 0.00 0.00 37.83 33.66 2kcd s LYS 22 CO 0.21 0.13 0.55 -1.58 -0.36 0.00 0.00 175.35 174.31 2kcd s TRP 23 N -1.82 2.28 -0.24 4.03 0.51 -1.26 -4.96 118.94 117.48 2kcd s TRP 23 Ca 0.55 -0.56 -0.06 0.00 -2.12 0.00 0.00 56.10 53.91 2kcd s TRP 23 Cb -0.15 -2.22 -0.02 0.00 -0.81 0.00 0.00 33.47 30.26 2kcd s TRP 23 CO 0.20 -0.53 0.02 -1.21 -0.51 0.00 0.00 176.95 174.92 2kcd s GLU 24 N -4.36 3.49 0.25 4.98 2.02 -1.03 -4.91 118.70 119.14 2kcd s GLU 24 Ca 0.52 -0.57 -0.26 0.00 0.02 0.00 0.00 54.97 54.68 2kcd s GLU 24 Cb -0.06 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.90 2kcd s GLU 24 CO 0.32 -0.21 0.88 0.00 0.02 0.00 0.00 175.26 176.27 2kcd s GLU 26 N -1.60 2.72 -0.39 0.00 2.12 -0.31 -4.94 118.70 116.31 2kcd s GLU 26 Ca 0.44 -1.02 -0.22 0.00 0.36 0.00 0.00 54.97 54.53 2kcd s GLU 26 Cb -0.21 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.49 2kcd s GLU 26 CO 0.26 -0.34 0.73 0.45 -0.54 0.00 0.00 175.26 175.82 2kcd s SER 27 N 1.23 6.46 -0.10 -1.70 0.15 -1.26 -2.40 113.70 116.07 2kcd s SER 27 Ca -0.00 0.11 -0.06 0.00 0.70 0.00 0.00 55.95 56.70 2kcd s SER 27 Cb -0.16 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2kcd s SER 27 CO -0.10 -0.74 0.23 -0.51 1.20 0.00 0.00 173.24 173.32 2kcd s ILE 28 N 3.00 -0.03 0.06 6.45 2.07 -0.93 -5.01 121.20 126.81 2kcd s ILE 28 Ca 0.28 0.11 -0.28 0.00 -1.41 0.00 0.00 60.65 59.35 2kcd s ILE 28 Cb -0.13 -0.35 -0.05 0.00 0.13 0.00 0.00 42.46 42.05 2kcd s ILE 28 CO 0.18 0.05 0.89 -1.61 -1.91 0.00 0.00 174.94 172.53 2kcd s GLU 29 N 0.95 4.60 0.04 3.50 2.02 -1.26 -1.56 118.70 127.00 2kcd s GLU 29 Ca -0.07 1.30 -0.21 0.00 0.02 0.00 0.00 54.97 56.01 2kcd s GLU 29 Cb -0.08 -3.39 0.05 0.00 0.10 0.00 0.00 34.13 30.81 2kcd s GLU 29 CO -0.06 0.19 0.48 -2.00 0.02 0.00 0.00 175.26 173.89 2kcd s GLU 30 N 0.17 0.98 0.26 1.61 2.12 -1.13 -4.93 118.70 117.79 2kcd s GLU 30 Ca 0.45 -0.27 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 2kcd s GLU 30 Cb -0.22 0.45 -0.09 0.00 0.26 0.00 0.00 34.13 34.52 2kcd s GLU 30 CO 0.27 -0.35 1.28 0.08 -0.54 0.00 0.00 175.26 176.00 2kcd s VAL 31 N -2.40 3.06 0.27 3.70 1.01 -1.26 -2.32 120.40 122.46 2kcd s VAL 31 Ca -0.06 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 2kcd s VAL 31 Cb -0.01 -3.61 0.21 0.00 0.00 0.00 0.00 36.38 32.97 2kcd s VAL 31 CO -0.02 0.19 1.88 0.00 0.00 0.00 0.00 175.10 177.15 2kcd h ALA 32 N 4.43 1.25 0.00 5.51 0.00 -1.72 -1.16 119.26 127.57 2kcd h ALA 32 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2kcd h ALA 32 Cb 1.22 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kcd h ALA 32 CO 0.72 0.59 0.00 -3.47 0.00 0.00 0.00 179.25 177.09 2kcd n ASP 33 N -4.34 0.12 -0.33 0.00 2.03 -1.24 0.57 116.55 113.37 2kcd n ASP 33 Ca 0.08 0.54 0.12 0.00 0.52 0.00 0.00 54.79 56.05 2kcd n ASP 33 Cb 0.12 -0.56 0.25 0.00 -0.72 0.00 0.00 41.12 40.21 2kcd n ASP 33 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kcd n ASP 34 N -1.64 1.36 0.00 1.67 8.00 -0.44 -4.40 116.55 121.10 2kcd n ASP 34 Ca 0.02 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2kcd n ASP 34 Cb 0.14 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kcd n ILE 35 N -0.44 0.00 -3.45 0.53 -5.35 -0.68 -5.02 119.36 104.95 2kcd n ILE 35 Ca 0.11 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.38 2kcd n ILE 35 Cb 0.39 -0.39 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 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 -3.00 3.98 0.46 7.28 1.02 0.19 -5.06 118.68 123.56 2kcd s LEU 36 Ca 0.00 0.12 -0.24 0.00 0.02 0.00 0.00 54.13 54.03 2kcd s LEU 36 Cb 0.00 -3.00 -0.08 0.00 0.02 0.00 0.00 46.19 43.13 2kcd s LEU 36 CO 0.00 -0.39 1.23 -2.65 0.02 0.00 0.00 176.35 174.56 2kcd n PRO 37 N -1.73 1.73 0.12 1.29 -0.02 -1.26 -4.59 135.00 130.54 2kcd n PRO 37 Ca -0.03 0.62 0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2kcd n PRO 37 Cb 0.57 -2.36 0.31 0.00 -0.02 0.00 0.00 33.50 32.01 2kcd n PRO 37 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kcd h ASP 38 N 1.76 0.19 -0.51 2.55 2.03 -1.85 -1.42 116.42 119.16 2kcd h ASP 38 Ca -0.48 -0.06 -0.05 0.00 -0.73 0.00 0.00 57.03 55.70 2kcd h ASP 38 Cb 1.31 -0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.73 2kcd h ASP 38 CO 0.58 0.49 0.13 -0.61 -1.03 0.00 0.00 179.24 178.80 2kcd h GLN 39 N 0.17 0.88 -0.05 4.15 4.15 -2.00 -1.97 115.11 120.44 2kcd h GLN 39 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2kcd h GLN 39 Cb 0.62 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2kcd h GLN 39 CO 0.04 0.79 0.00 0.66 -1.93 0.00 0.00 178.83 178.39 2kcd n TYR 40 N -4.26 0.05 -3.39 3.99 4.01 -1.03 -4.64 117.16 111.88 2kcd n TYR 40 Ca 0.04 -0.02 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 2kcd n TYR 40 Cb 0.24 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.18 2kcd n TYR 40 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2kcd s VAL 41 N -1.95 -0.29 0.20 -0.72 1.01 -0.56 -4.90 120.40 113.18 2kcd s VAL 41 Ca 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.41 2kcd s VAL 41 Cb 0.20 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2kcd s VAL 41 CO 0.32 -0.60 0.00 -1.14 0.00 0.00 0.00 175.10 173.67 2kcd n ARG 42 N 4.58 0.00 -0.07 2.72 0.63 -1.20 -4.45 116.66 118.87 2kcd n ARG 42 Ca 0.07 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.95 2kcd n ARG 42 Cb 0.44 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 33.21 2kcd n ARG 42 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2kcd n LEU 43 N -3.01 0.00 -4.19 6.15 7.94 -1.26 -4.49 117.00 118.14 2kcd n LEU 43 Ca 0.00 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.64 2kcd n LEU 43 Cb 0.00 0.34 0.20 0.00 0.53 0.00 0.00 43.42 44.50 2kcd n LEU 43 CO 0.00 0.34 -0.03 0.61 -1.11 0.00 0.00 177.39 177.21 2kcd n GLY 44 N 1.80 -2.77 0.34 -3.96 0.00 -1.26 -4.64 105.19 94.70 2kcd n GLY 44 Ca -0.23 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.73 0.36 0.00 1.61 0.11 -1.97 0.14 132.00 129.53 2kcd h PRO 45 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2kcd h PRO 45 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2kcd h PRO 45 CO 0.28 0.24 0.00 1.28 -0.21 0.00 0.00 178.00 179.59 2kcd n LEU 46 N -4.47 0.00 0.00 2.35 4.77 -1.26 -4.28 117.00 114.11 2kcd n LEU 46 Ca 0.08 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2kcd n LEU 46 Cb 0.32 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2kcd n LEU 46 CO 0.34 -0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.86 2kcd n SER 47 N -1.04 0.00 -1.48 -1.43 3.41 0.50 -3.28 113.62 110.29 2kcd n SER 47 Ca 0.22 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.90 2kcd n SER 47 Cb 0.13 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.42 2kcd n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kcd n ASN 48 N 0.00 4.91 -4.77 4.04 2.85 -1.26 -3.67 115.26 117.37 2kcd n ASN 48 Ca 0.00 -3.00 -0.40 0.00 -0.11 0.00 0.00 54.58 51.08 2kcd n ASN 48 Cb 0.00 -0.63 -0.03 0.00 1.24 0.00 0.00 39.78 40.36 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2kcd s LYS 49 N -2.82 4.41 -0.36 1.20 2.20 -1.21 -4.85 119.74 118.31 2kcd s LYS 49 Ca 0.50 1.88 -0.19 0.00 -0.36 0.00 0.00 55.97 57.80 2kcd s LYS 49 Cb 0.39 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.71 2kcd s LYS 49 CO 0.13 -0.02 0.55 0.42 -0.36 0.00 0.00 175.35 176.06 2kcd s ILE 50 N -1.25 4.98 0.15 5.43 1.01 -1.26 -2.66 121.20 127.58 2kcd s ILE 50 Ca 0.49 0.36 0.06 0.00 0.00 0.00 0.00 60.65 61.56 2kcd s ILE 50 Cb -0.33 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2kcd s ILE 50 CO 0.42 -0.27 0.00 -0.76 0.00 0.00 0.00 174.94 174.33 2kcd s LEU 51 N 2.49 3.37 -0.28 2.97 1.02 -0.98 -4.87 118.68 122.40 2kcd s LEU 51 Ca 0.20 -0.32 -0.29 0.00 0.02 0.00 0.00 54.13 53.75 2kcd s LEU 51 Cb -0.15 -2.05 -0.02 0.00 0.02 0.00 0.00 46.19 43.99 2kcd s LEU 51 CO 0.14 0.12 1.64 -1.58 0.02 0.00 0.00 176.35 176.69 2kcd s GLN 52 N -2.73 3.63 -0.29 1.70 0.74 -0.93 -2.84 119.66 118.95 2kcd s GLN 52 Ca 0.27 1.50 -0.14 0.00 0.05 0.00 0.00 55.36 57.04 2kcd s GLN 52 Cb -0.10 -4.08 -0.03 0.00 1.10 0.00 0.00 33.01 29.89 2kcd s GLN 52 CO 0.18 -1.49 0.31 0.99 -0.55 0.00 0.00 175.29 174.74 2kcd s THR 53 N 5.72 5.22 -0.53 -0.34 2.01 -0.60 -1.49 115.64 125.62 2kcd s THR 53 Ca 0.73 0.31 -0.09 0.00 0.31 0.00 0.00 61.69 62.95 2kcd s THR 53 Cb -0.23 -3.68 0.14 0.00 0.01 0.00 0.00 72.50 68.74 2kcd s THR 53 CO 0.31 0.12 0.41 0.20 -0.69 0.00 0.00 174.62 174.97 2kcd s ASN 54 N 1.70 5.74 -0.21 3.53 0.01 -0.46 -2.20 114.94 123.06 2kcd s ASN 54 Ca 0.12 -2.15 -0.14 0.00 -0.71 0.00 0.00 52.86 49.97 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 0.11 -0.63 0.33 -0.89 -1.51 0.00 0.00 177.10 174.50 2kcd s THR 55 N 1.00 5.25 -0.02 1.60 2.01 -1.01 -1.67 115.64 122.80 2kcd s THR 55 Ca 0.09 0.55 -0.18 0.00 0.31 0.00 0.00 61.69 62.46 2kcd s THR 55 Cb -0.23 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2kcd s THR 55 CO -0.02 0.28 0.49 -0.31 -0.69 0.00 0.00 174.62 174.37 2kcd s TYR 56 N 1.23 3.67 -0.03 4.92 1.51 -0.54 -1.16 117.35 126.95 2kcd s TYR 56 Ca 0.16 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.27 2kcd s TYR 56 Cb -0.14 -2.46 0.03 0.00 -0.11 0.00 0.00 41.96 39.27 2kcd s TYR 56 CO 0.07 0.44 -0.01 1.52 -1.11 0.00 0.00 175.55 176.46 2kcd s TYR 57 N -0.43 0.44 0.12 2.71 1.13 -0.51 -4.16 117.35 116.65 2kcd s TYR 57 Ca 0.26 -0.06 0.01 0.00 -1.41 0.00 0.00 57.07 55.88 2kcd s TYR 57 Cb -0.17 -0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 2kcd s TYR 57 CO 0.14 -0.15 -0.03 0.45 -2.51 0.00 0.00 175.55 173.45 2kcd s SER 58 N 1.01 0.97 0.16 -0.18 0.15 -1.26 -2.48 113.70 112.08 2kcd s SER 58 Ca -0.10 -1.08 -0.15 0.00 0.70 0.00 0.00 55.95 55.32 2kcd s SER 58 Cb -0.14 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 2kcd s SER 58 CO -0.01 -0.54 1.80 -0.78 1.20 0.00 0.00 173.24 174.91 2kcd h ASP 59 N 2.90 0.55 -0.31 5.45 1.82 -1.98 0.33 116.42 125.18 2kcd h ASP 59 Ca -0.35 -0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.22 2kcd h ASP 59 Cb 1.18 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.03 2kcd h ASP 59 CO 0.64 0.43 0.10 0.74 -1.61 0.00 0.00 179.24 179.54 2kcd h THR 60 N 0.63 1.20 -0.79 2.25 2.02 -1.99 -1.91 112.91 114.32 2kcd h THR 60 Ca 0.17 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 2kcd h THR 60 Cb -0.03 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2kcd h THR 60 CO -0.03 0.22 0.33 -0.07 0.37 0.00 0.00 175.52 176.34 2kcd h LEU 61 N 0.35 1.07 -0.56 2.58 3.38 -1.81 -2.26 115.31 118.05 2kcd h LEU 61 Ca 0.10 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2kcd h LEU 61 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2kcd h LEU 61 CO -0.00 0.94 0.34 -0.74 0.09 0.00 0.00 178.44 179.07 2kcd h HIS 62 N 1.14 0.64 -0.75 1.13 2.76 -0.02 -0.24 115.15 119.80 2kcd h HIS 62 Ca 0.27 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.40 2kcd h HIS 62 Cb 0.19 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 2kcd h HIS 62 CO 0.02 0.36 0.25 0.87 -1.30 0.00 0.00 177.93 178.13 2kcd h LYS 63 N 0.67 1.16 0.00 5.26 1.57 -1.01 -1.11 116.57 123.11 2kcd h LYS 63 Ca 0.23 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2kcd h LYS 63 Cb 0.02 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.16 2kcd h LYS 63 CO -0.10 0.97 0.00 0.43 -0.57 0.00 0.00 179.45 180.19 2kcd n SER 64 N -4.27 0.00 -3.59 0.86 7.64 -0.85 -4.88 113.62 108.53 2kcd n SER 64 Ca 0.06 -0.31 -0.23 0.00 1.01 0.00 0.00 58.87 59.40 2kcd n SER 64 Cb 0.22 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.20 -5.64 -4.38 6.43 2.85 -0.18 -4.42 115.26 108.72 2kcd n ASN 65 Ca 0.14 -0.56 -0.33 0.00 -0.11 0.00 0.00 54.58 53.72 2kcd n ASN 65 Cb 0.17 -5.00 -0.14 0.00 1.24 0.00 0.00 39.78 36.05 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kcd s ILE 66 N -3.33 3.14 -0.64 -1.44 1.01 -0.70 -3.73 121.20 115.52 2kcd s ILE 66 Ca 0.50 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.55 2kcd s ILE 66 Cb -0.22 -2.33 0.16 0.00 0.01 0.00 0.00 42.46 40.08 2kcd s ILE 66 CO 0.73 0.52 0.42 -0.31 0.00 0.00 0.00 174.94 176.30 2kcd s TYR 67 N 0.39 3.42 -0.24 3.97 2.02 -0.76 -4.54 117.35 121.62 2kcd s TYR 67 Ca -0.10 -3.15 -0.27 0.00 -0.37 0.00 0.00 57.07 53.18 2kcd s TYR 67 Cb -0.16 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.52 2kcd s TYR 67 CO 0.05 -0.69 0.96 -1.25 -1.57 0.00 0.00 175.55 173.05 2kcd s PRO 68 N -0.77 4.22 0.07 -1.71 0.04 -1.26 -2.60 135.00 133.00 2kcd s PRO 68 Ca 0.21 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.45 2kcd s PRO 68 Cb -0.16 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 2kcd s PRO 68 CO -0.07 -0.60 -0.06 -0.59 0.04 0.00 0.00 177.00 175.72 2kcd s PHE 69 N 3.08 0.77 0.05 0.56 -0.12 -1.11 -1.47 117.98 119.74 2kcd s PHE 69 Ca 0.40 -0.81 0.04 0.00 -0.05 0.00 0.00 56.93 56.51 2kcd s PHE 69 Cb -0.15 -0.46 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 2kcd s PHE 69 CO 0.07 -0.16 -0.11 0.42 -0.05 0.00 0.00 175.22 175.39 2kcd s ILE 70 N -2.98 0.84 -0.10 -4.49 1.01 -0.67 -2.49 121.20 112.32 2kcd s ILE 70 Ca 0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 2kcd s ILE 70 Cb 0.01 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2kcd s ILE 70 CO -0.04 -0.25 0.02 -0.76 0.00 0.00 0.00 174.94 173.90 2kcd s LEU 71 N -1.54 3.64 0.08 2.97 1.43 -0.81 -1.35 118.68 123.11 2kcd s LEU 71 Ca -0.05 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 2kcd s LEU 71 Cb -0.09 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2kcd s LEU 71 CO 0.01 0.35 -0.14 -0.31 0.23 0.00 0.00 176.35 176.49 2kcd s TYR 72 N -0.71 1.24 -0.38 0.29 2.02 -0.56 -2.67 117.35 116.60 2kcd s TYR 72 Ca 0.11 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2kcd s TYR 72 Cb -0.12 -0.69 0.15 0.00 -0.40 0.00 0.00 41.96 40.91 2kcd s TYR 72 CO 0.02 0.07 0.35 -0.47 -1.57 0.00 0.00 175.55 173.96 2kcd s TYR 73 N -1.58 -0.04 -0.64 2.71 5.04 -0.59 -2.18 117.35 120.07 2kcd s TYR 73 Ca 0.01 -1.09 -0.02 0.00 -2.44 0.00 0.00 57.07 53.53 2kcd s TYR 73 Cb -0.08 -0.51 -0.02 0.00 0.35 0.00 0.00 41.96 41.69 2kcd s TYR 73 CO 0.02 -0.94 0.58 0.94 -1.34 0.00 0.00 175.55 174.81 2kcd n GLN 74 N 4.04 -1.25 -3.92 4.97 -0.06 -1.26 -3.44 117.38 116.46 2kcd n GLN 74 Ca 0.13 1.02 -0.30 0.00 -2.00 0.00 0.00 57.00 55.86 2kcd n GLN 74 Cb 0.44 -4.71 0.02 0.00 -4.06 0.00 0.00 30.24 21.93 2kcd n GLN 74 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2kcd n LYS 75 N -2.03 -5.37 -3.64 3.69 5.02 -1.26 -4.96 118.16 109.61 2kcd n LYS 75 Ca -0.02 0.59 -0.13 0.00 -2.02 0.00 0.00 58.31 56.72 2kcd n LYS 75 Cb 0.53 -5.45 -0.13 0.00 -0.02 0.00 0.00 35.03 29.97 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 -6.61 0.16 0.14 1.97 -0.44 -1.22 -5.13 119.66 108.53 2kcd s GLN 76 Ca 0.63 0.72 -0.31 0.00 -2.50 0.00 0.00 55.36 53.90 2kcd s GLN 76 Cb -0.32 -0.11 -0.08 0.00 -1.64 0.00 0.00 33.01 30.86 2kcd s GLN 76 CO 0.84 -0.32 1.36 -1.17 0.50 0.00 0.00 175.29 176.50 2kcd s LEU 77 N 2.43 4.38 -0.15 3.68 2.96 -1.26 -1.54 118.68 129.17 2kcd s LEU 77 Ca 0.02 2.34 -0.13 0.00 -0.22 0.00 0.00 54.13 56.14 2kcd s LEU 77 Cb -0.12 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 2kcd s LEU 77 CO -0.09 -0.62 -0.28 -0.38 -1.32 0.00 0.00 176.35 173.67 2kcd n ILE 78 N 3.59 1.37 -3.57 6.68 2.08 -1.09 -4.91 119.36 123.50 2kcd n ILE 78 Ca 0.10 0.04 -0.11 0.00 0.56 0.00 0.00 62.75 63.35 2kcd n ILE 78 Cb 0.42 -2.06 -0.03 0.00 -0.75 0.00 0.00 39.64 37.22 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 -2.61 -1.30 -0.09 -1.39 0.00 -1.26 -0.35 121.76 114.76 2kcd s ALA 79 Ca -0.25 0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.91 2kcd s ALA 79 Cb 0.06 0.84 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2kcd s ALA 79 CO 0.35 -0.78 -0.20 0.42 0.00 0.00 0.00 175.76 175.56 2kcd s ILE 80 N -3.80 1.74 -0.25 0.00 1.01 0.23 -1.92 121.20 118.21 2kcd s ILE 80 Ca 0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2kcd s ILE 80 Cb -0.01 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 41.01 2kcd s ILE 80 CO -0.09 0.49 0.04 -0.83 0.00 0.00 0.00 174.94 174.55 2kcd s GLY 81 N 0.51 1.00 -0.20 6.18 0.00 -1.04 -3.83 107.32 109.94 2kcd s GLY 81 Ca -0.16 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 43.24 2kcd s GLY 81 CO 0.06 1.36 0.07 -1.36 0.00 0.00 0.00 173.10 173.23 2kcd s PHE 82 N 1.64 3.19 -0.26 1.90 0.40 -0.99 -2.76 117.98 121.10 2kcd s PHE 82 Ca 0.02 -0.08 -0.10 0.00 -0.60 0.00 0.00 56.93 56.18 2kcd s PHE 82 Cb -0.18 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 2kcd s PHE 82 CO -0.14 -0.01 0.14 0.42 0.70 0.00 0.00 175.22 176.34 2kcd s ILE 83 N 0.78 5.03 0.66 0.64 1.01 -1.07 -1.54 121.20 126.71 2kcd s ILE 83 Ca 0.03 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2kcd s ILE 83 Cb -0.13 -3.36 0.10 0.00 0.01 0.00 0.00 42.46 39.07 2kcd s ILE 83 CO 0.02 0.31 0.92 -1.81 0.00 0.00 0.00 174.94 174.38 2kcd s ASP 84 N 1.47 4.65 1.00 3.58 1.01 0.54 -1.82 116.67 127.10 2kcd s ASP 84 Ca 0.07 -0.35 -0.18 0.00 0.71 0.00 0.00 52.55 52.79 2kcd s ASP 84 Cb -0.15 -0.16 -0.12 0.00 1.01 0.00 0.00 42.92 43.50 2kcd s ASP 84 CO 0.07 -1.63 -0.72 1.21 0.21 0.00 0.00 175.17 174.31 2kcd n GLU 85 N -2.64 -0.10 -1.29 8.23 2.13 -1.24 -1.57 120.64 124.15 2kcd n GLU 85 Ca 0.14 -0.02 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 2kcd n GLU 85 Cb 0.60 -1.15 -0.04 0.00 0.27 0.00 0.00 31.44 31.12 2kcd n GLU 85 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kcd n ASN 86 N 2.60 -5.55 -0.62 4.31 5.03 -1.26 -1.40 115.26 118.37 2kcd n ASN 86 Ca -0.01 0.25 -0.08 0.00 0.87 0.00 0.00 54.58 55.61 2kcd n ASN 86 Cb 0.59 -3.92 -0.03 0.00 -1.02 0.00 0.00 39.78 35.39 2kcd n ASN 86 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 2kcd n HIS 87 N -2.26 0.00 -1.63 3.10 -0.00 -0.61 -4.89 115.22 108.93 2kcd n HIS 87 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.20 2kcd n HIS 87 Cb 0.55 -2.13 -0.03 0.00 -0.00 0.00 0.00 29.99 28.39 2kcd n HIS 87 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2kcd s ASP 88 N -2.44 5.97 0.19 0.26 -1.08 -0.50 -4.73 116.67 114.36 2kcd s ASP 88 Ca 0.00 2.32 -0.30 0.00 -0.52 0.00 0.00 52.55 54.05 2kcd s ASP 88 Cb 0.00 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 2kcd s ASP 88 CO 0.00 -1.48 0.95 -0.04 0.52 0.00 0.00 175.17 175.12 2kcd s MET 89 N 5.36 4.79 -0.21 4.34 -1.94 -1.26 -0.34 119.30 130.05 2kcd s MET 89 Ca 0.95 1.48 -0.04 0.00 -1.71 0.00 0.00 55.69 56.36 2kcd s MET 89 Cb -0.38 -3.32 0.07 0.00 2.01 0.00 0.00 34.83 33.21 2kcd s MET 89 CO 0.39 0.40 0.09 0.34 -0.01 0.00 0.00 175.02 176.23 2kcd s ASP 90 N -0.71 2.76 -0.34 3.03 2.15 -0.59 -4.93 116.67 118.04 2kcd s ASP 90 Ca 0.43 -0.84 -0.13 0.00 0.43 0.00 0.00 52.55 52.44 2kcd s ASP 90 Cb -0.25 -0.34 -0.01 0.00 -0.30 0.00 0.00 42.92 42.02 2kcd s ASP 90 CO 0.31 -0.37 0.27 -0.36 -0.17 0.00 0.00 175.17 174.85 2kcd s PHE 91 N 2.07 3.23 -0.74 -5.34 0.08 -1.26 -2.36 117.98 113.67 2kcd s PHE 91 Ca 0.04 -0.19 0.22 0.00 0.12 0.00 0.00 56.93 57.11 2kcd s PHE 91 Cb -0.16 -2.52 -0.18 0.00 -0.57 0.00 0.00 43.02 39.58 2kcd s PHE 91 CO -0.16 -0.39 0.85 1.28 -0.10 0.00 0.00 175.22 176.70 2kcd n LEU 92 N 5.17 0.71 -3.69 -0.37 4.32 -1.25 -4.89 117.00 116.99 2kcd n LEU 92 Ca -0.12 -0.30 -0.12 0.00 -0.02 0.00 0.00 56.01 55.45 2kcd n LEU 92 Cb 0.49 -0.02 -0.12 0.00 -1.62 0.00 0.00 43.42 42.15 2kcd n LEU 92 CO 0.38 0.16 -0.08 -0.47 -1.22 0.00 0.00 177.39 176.16 2kcd s TYR 93 N -3.14 -0.47 -0.26 -1.77 5.04 -1.26 -3.85 117.35 111.64 2kcd s TYR 93 Ca 0.04 1.04 -0.03 0.00 -2.44 0.00 0.00 57.07 55.68 2kcd s TYR 93 Cb 0.15 0.09 0.09 0.00 0.35 0.00 0.00 41.96 42.64 2kcd s TYR 93 CO 0.86 -0.33 0.10 -1.17 -1.34 0.00 0.00 175.55 173.67 2kcd s LEU 94 N 1.88 1.14 -0.22 6.97 2.96 -1.17 -0.60 118.68 129.64 2kcd s LEU 94 Ca -0.05 -1.23 0.02 0.00 -0.22 0.00 0.00 54.13 52.66 2kcd s LEU 94 Cb -0.11 -0.54 0.04 0.00 0.50 0.00 0.00 46.19 46.09 2kcd s LEU 94 CO -0.10 -0.40 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.11 2kcd s HIS 95 N 1.92 2.99 0.90 5.38 5.65 0.52 -3.56 115.29 129.10 2kcd s HIS 95 Ca 0.07 -1.98 -0.14 0.00 0.25 0.00 0.00 55.06 53.26 2kcd s HIS 95 Cb -0.17 -1.90 0.15 0.00 -1.18 0.00 0.00 32.58 29.47 2kcd s HIS 95 CO -0.25 -0.84 1.23 -0.80 -0.65 0.00 0.00 174.74 173.43 2kcd s ASN 96 N 1.20 3.65 0.18 9.88 0.01 -1.25 -4.31 114.94 124.30 2kcd s ASN 96 Ca -0.02 0.58 -0.12 0.00 -0.71 0.00 0.00 52.86 52.58 2kcd s ASN 96 Cb -0.17 -0.88 0.09 0.00 0.41 0.00 0.00 41.25 40.69 2kcd s ASN 96 CO -0.09 -2.42 1.79 0.74 -1.51 0.00 0.00 177.10 175.61 2kcd h THR 97 N -1.42 1.19 0.00 1.60 2.02 -1.97 -3.38 112.91 110.95 2kcd h THR 97 Ca -0.46 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2kcd h THR 97 Cb 1.29 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2kcd h THR 97 CO 0.53 0.21 0.00 1.33 0.37 0.00 0.00 175.52 177.96 2kcd n VAL 98 N -4.57 0.00 -4.35 3.16 0.24 -1.26 -5.00 118.33 106.55 2kcd n VAL 98 Ca 0.04 0.07 -0.26 0.00 -2.04 0.00 0.00 64.34 62.16 2kcd n VAL 98 Cb 0.09 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.09 2kcd n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kcd s MET 99 N 0.00 1.30 0.61 7.34 0.00 -1.26 -5.13 119.30 122.16 2kcd s MET 99 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 55.69 54.19 2kcd s MET 99 Cb 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 34.83 33.20 2kcd s MET 99 CO 0.00 0.36 1.12 -1.25 0.00 0.00 0.00 175.02 175.26 2kcd s PRO 100 N -2.25 3.02 -0.08 3.16 0.04 -1.26 -3.90 135.00 133.72 2kcd s PRO 100 Ca 0.13 1.50 0.15 0.00 0.04 0.00 0.00 61.00 62.82 2kcd s PRO 100 Cb -0.09 -1.97 -0.22 0.00 0.04 0.00 0.00 34.50 32.27 2kcd s PRO 100 CO 0.06 -1.10 0.21 1.28 0.04 0.00 0.00 177.00 177.49 2kcd n LEU 101 N -1.94 0.00 -3.64 -3.56 4.77 -1.23 -4.92 117.00 106.48 2kcd n LEU 101 Ca 0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 2kcd n LEU 101 Cb 0.51 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 2kcd n LEU 101 CO 0.45 0.17 0.90 -1.48 -1.33 0.00 0.00 177.39 176.11 2kcd s LEU 102 N -4.58 -0.29 -0.30 2.23 0.05 -1.25 -5.12 118.68 109.42 2kcd s LEU 102 Ca -0.07 0.55 -0.14 0.00 0.05 0.00 0.00 54.13 54.52 2kcd s LEU 102 Cb 0.07 1.58 0.16 0.00 -2.05 0.00 0.00 46.19 45.95 2kcd s LEU 102 CO 0.63 -0.11 0.94 1.51 -0.55 0.00 0.00 176.35 178.77 2kcd s ASP 103 N 0.06 -0.65 -0.34 1.48 -4.77 -1.26 -3.02 116.67 108.17 2kcd s ASP 103 Ca 0.05 0.92 -0.10 0.00 -3.30 0.00 0.00 52.55 50.11 2kcd s ASP 103 Cb -0.05 1.68 0.01 0.00 -1.09 0.00 0.00 42.92 43.47 2kcd s ASP 103 CO -0.09 -0.13 0.18 -1.10 0.70 0.00 0.00 175.17 174.73 2kcd s GLN 104 N 2.34 3.14 0.12 2.11 -1.52 -1.25 -4.95 119.66 119.64 2kcd s GLN 104 Ca -0.04 -0.86 -0.10 0.00 -1.95 0.00 0.00 55.36 52.41 2kcd s GLN 104 Cb -0.06 -3.65 -0.12 0.00 -0.22 0.00 0.00 33.01 28.96 2kcd s GLN 104 CO -0.17 -0.53 1.32 0.00 -0.25 0.00 0.00 175.29 175.65 2kcd h ARG 105 N 8.40 0.68 -0.52 2.91 2.47 -1.98 -2.92 114.38 123.42 2kcd h ARG 105 Ca -0.29 -0.59 0.01 0.00 -1.26 0.00 0.00 59.98 57.85 2kcd h ARG 105 Cb 1.13 0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.55 2kcd h ARG 105 CO 0.64 1.20 0.33 0.10 0.56 0.00 0.00 179.97 182.80 2kcd h TYR 106 N 0.45 0.62 -0.64 3.04 -0.00 -1.92 0.40 116.97 118.92 2kcd h TYR 106 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.66 2kcd h TYR 106 Cb 1.44 -0.21 -0.03 0.00 0.00 0.00 0.00 36.73 37.93 2kcd h TYR 106 CO 0.08 0.38 0.30 1.25 -0.00 0.00 0.00 178.16 180.17 2kcd h LEU 107 N 0.67 0.84 -0.01 0.10 5.85 -1.96 2.09 115.31 122.89 2kcd h LEU 107 Ca 0.20 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2kcd h LEU 107 Cb -0.03 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.78 2kcd h LEU 107 CO -0.07 0.74 -0.03 0.18 -0.34 0.00 0.00 178.44 178.92 2kcd n LEU 108 N -4.49 0.05 0.00 2.25 4.77 -0.90 -3.04 117.00 115.64 2kcd n LEU 108 Ca 0.04 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2kcd n LEU 108 Cb 0.13 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2kcd n LEU 108 CO 0.38 0.01 0.47 0.35 -1.33 0.00 0.00 177.39 177.27 2kcd n THR 109 N -1.40 0.89 -0.91 -5.08 -2.24 0.14 -4.60 114.28 101.07 2kcd n THR 109 Ca 0.10 -0.92 -0.29 0.00 -2.27 0.00 0.00 64.05 60.67 2kcd n THR 109 Cb 0.30 0.56 0.22 0.00 -2.10 0.00 0.00 70.33 69.31 2kcd n THR 109 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kcd s GLY 110 N -0.89 1.55 0.00 3.38 0.00 0.70 -3.99 107.32 108.07 2kcd s GLY 110 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.35 2kcd s GLY 110 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 173.10 174.04 2kcd n GLY 111 N -0.32 0.75 0.13 0.20 0.00 -1.26 -4.82 105.19 99.86 2kcd n GLY 111 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2kcd n GLY 111 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kcd n GLN 112 N -2.14 0.00 -2.73 1.61 7.27 -1.26 -5.04 117.38 115.10 2kcd n GLN 112 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 2kcd n GLN 112 Cb 0.00 -0.80 -0.05 0.00 2.41 0.00 0.00 30.24 31.80 2kcd n GLN 112 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2kcd s LEU 113 N -4.54 4.57 0.00 1.69 2.01 -1.26 -4.82 118.68 116.33 2kcd s LEU 113 Ca 0.00 1.88 0.00 0.00 0.01 0.00 0.00 54.13 56.02 2kcd s LEU 113 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.60 2kcd s LEU 113 CO 0.00 0.04 0.00 1.21 1.01 0.00 0.00 176.35 178.61 2kcd n GLU 114 N 2.13 0.00 -4.39 1.70 2.13 -1.26 -5.08 120.64 115.87 2kcd n GLU 114 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.50 2kcd n GLU 114 Cb 0.48 -0.12 -0.16 0.00 0.27 0.00 0.00 31.44 31.91 2kcd n GLU 114 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kcd s HIS 115 N -1.00 2.69 -0.36 4.31 2.46 -1.26 -4.98 115.29 117.15 2kcd s HIS 115 Ca 0.00 -1.48 0.05 0.00 0.47 0.00 0.00 55.06 54.10 2kcd s HIS 115 Cb 0.00 -1.85 0.28 0.00 -0.13 0.00 0.00 32.58 30.88 2kcd s HIS 115 CO 0.00 -0.71 1.27 1.58 -2.47 0.00 0.00 174.74 174.41 2kcd n HIS 116 N 4.35 -1.25 -2.81 3.88 -0.00 -1.26 -5.13 115.22 113.01 2kcd n HIS 116 Ca -0.20 -1.21 -0.41 0.00 -0.00 0.00 0.00 57.72 55.90 2kcd n HIS 116 Cb 0.51 1.34 -0.03 0.00 -0.00 0.00 0.00 29.99 31.80 2kcd n HIS 116 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcd s HIS 117 N 0.11 3.61 -0.29 1.57 2.46 -1.26 -5.02 115.29 116.47 2kcd s HIS 117 Ca 0.18 1.54 -0.17 0.00 0.47 0.00 0.00 55.06 57.08 2kcd s HIS 117 Cb 0.26 -3.03 -0.02 0.00 -0.13 0.00 0.00 32.58 29.66 2kcd s HIS 117 CO -0.12 -0.02 0.46 -3.38 -2.47 0.00 0.00 174.74 169.21 2kcd s HIS 118 N 1.13 3.23 0.21 3.88 -3.43 -1.26 -4.94 115.29 114.10 2kcd s HIS 118 Ca 0.47 0.41 -0.06 0.00 -0.80 0.00 0.00 55.06 55.08 2kcd s HIS 118 Cb -0.20 -2.73 0.16 0.00 -1.43 0.00 0.00 32.58 28.39 2kcd s HIS 118 CO 0.23 -0.34 1.66 0.45 -2.00 0.00 0.00 174.74 174.74 2kcd h HIS 119 N 8.21 1.02 0.00 0.38 3.86 -2.08 -3.58 115.15 122.95 2kcd h HIS 119 Ca -0.30 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2kcd h HIS 119 Cb 1.14 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.35 2kcd h HIS 119 CO 0.74 0.95 0.00 1.58 0.86 0.00 0.00 177.93 182.07