#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 3.53 0.18 2.03 -4.23 -1.26 -4.88 115.64 111.01 2kcd s THR 2 Ca 0.00 0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.73 2kcd s THR 2 Cb 0.00 -3.47 0.09 0.00 1.34 0.00 0.00 72.50 70.46 2kcd s THR 2 CO 0.00 -0.58 1.73 -0.07 -0.54 0.00 0.00 174.62 175.16 2kcd h LEU 3 N -0.51 0.90 -0.34 4.79 4.07 -2.04 -0.75 115.31 121.43 2kcd h LEU 3 Ca -0.45 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.29 2kcd h LEU 3 Cb 1.25 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2kcd h LEU 3 CO 0.63 0.84 0.07 -0.33 -1.08 0.00 0.00 178.44 178.57 2kcd h GLU 4 N 0.90 0.55 -0.46 1.13 5.08 -1.98 0.49 114.58 120.29 2kcd h GLU 4 Ca 0.21 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2kcd h GLU 4 Cb 0.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kcd h GLU 4 CO -0.01 0.61 0.17 1.25 -1.00 0.00 0.00 179.01 180.03 2kcd h LEU 5 N 0.39 0.65 -0.40 1.33 5.85 -1.90 0.24 115.31 121.46 2kcd h LEU 5 Ca 0.10 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 2kcd h LEU 5 Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kcd h LEU 5 CO 0.00 0.65 -0.30 1.56 -0.34 0.00 0.00 178.44 180.02 2kcd h GLN 6 N 0.61 0.90 -0.40 1.25 1.08 -0.98 -1.77 115.11 115.79 2kcd h GLN 6 Ca 0.15 -0.44 -0.03 0.00 -1.45 0.00 0.00 58.65 56.89 2kcd h GLN 6 Cb 0.22 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2kcd h GLN 6 CO -0.01 1.09 0.15 1.25 -0.95 0.00 0.00 178.83 180.35 2kcd h LEU 7 N 0.71 0.56 -0.79 1.46 5.85 0.20 -2.08 115.31 121.22 2kcd h LEU 7 Ca 0.08 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2kcd h LEU 7 Cb 0.88 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2kcd h LEU 7 CO 0.08 0.59 0.17 0.11 -0.34 0.00 0.00 178.44 179.05 2kcd h LYS 8 N 0.50 1.07 -0.30 1.25 1.57 -0.90 -1.86 116.57 117.90 2kcd h LYS 8 Ca 0.13 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2kcd h LYS 8 Cb 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2kcd h LYS 8 CO -0.01 0.95 0.18 1.25 -0.57 0.00 0.00 179.45 181.25 2kcd h HIS 9 N 1.02 0.39 -0.10 -1.35 2.76 -1.04 0.45 115.15 117.29 2kcd h HIS 9 Ca 0.21 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2kcd h HIS 9 Cb 0.36 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 2kcd h HIS 9 CO 0.03 0.28 0.04 -0.92 -1.30 0.00 0.00 177.93 176.05 2kcd h TYR 10 N 0.38 0.15 -0.42 5.26 3.20 -1.18 0.12 116.97 124.49 2kcd h TYR 10 Ca 0.11 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 2kcd h TYR 10 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2kcd h TYR 10 CO -0.04 0.26 0.07 0.82 -1.64 0.00 0.00 178.16 177.63 2kcd h ILE 11 N -0.01 1.24 -0.12 1.81 2.04 -1.18 0.33 117.51 121.62 2kcd h ILE 11 Ca 0.03 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2kcd h ILE 11 Cb 0.18 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2kcd h ILE 11 CO -0.00 0.30 0.05 0.71 0.00 0.00 0.00 178.15 179.21 2kcd h THR 12 N 0.55 1.14 -0.40 -0.27 1.35 -0.01 -0.71 112.91 114.57 2kcd h THR 12 Ca 0.13 -0.42 -0.12 0.00 -0.55 0.00 0.00 66.41 65.44 2kcd h THR 12 Cb 0.37 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 2kcd h THR 12 CO 0.01 0.13 -0.25 -1.13 -0.25 0.00 0.00 175.52 174.02 2kcd h ASN 13 N 0.04 0.84 -0.46 5.36 -0.73 -0.90 2.85 115.58 122.58 2kcd h ASN 13 Ca 0.04 -0.32 -0.02 0.00 1.87 0.00 0.00 56.30 57.88 2kcd h ASN 13 Cb 0.16 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.49 2kcd h ASN 13 CO -0.00 1.05 0.23 0.25 -0.37 0.00 0.00 177.43 178.58 2kcd h LEU 14 N 0.70 0.60 -2.00 0.34 5.85 -0.13 -2.92 115.31 117.75 2kcd h LEU 14 Ca 0.09 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2kcd h LEU 14 Cb 0.79 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2kcd h LEU 14 CO 0.06 0.55 0.00 0.49 -0.34 0.00 0.00 178.44 179.20 2kcd n PHE 15 N -4.65 0.20 -3.18 1.25 3.72 -0.29 -4.96 117.46 109.55 2kcd n PHE 15 Ca 0.01 -0.13 -0.23 0.00 -0.05 0.00 0.00 57.45 57.05 2kcd n PHE 15 Cb 0.11 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.68 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 1.08 -5.84 -4.88 4.37 3.02 0.91 -4.97 115.26 108.96 2kcd n ASN 16 Ca 0.13 -0.35 -0.32 0.00 -0.03 0.00 0.00 54.58 54.01 2kcd n ASN 16 Cb 0.48 -4.70 -0.05 0.00 -0.61 0.00 0.00 39.78 34.90 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kcd s LEU 17 N -6.78 4.15 0.08 3.41 1.43 0.12 -4.95 118.68 116.14 2kcd s LEU 17 Ca 0.37 0.91 -0.36 0.00 -1.03 0.00 0.00 54.13 54.03 2kcd s LEU 17 Cb -0.17 -3.69 -0.16 0.00 0.03 0.00 0.00 46.19 42.21 2kcd s LEU 17 CO 0.46 -0.10 1.45 -2.65 0.23 0.00 0.00 176.35 175.74 2kcd n PRO 18 N -0.25 1.48 0.04 1.29 -0.02 -1.26 -4.61 135.00 131.67 2kcd n PRO 18 Ca 0.00 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2kcd n PRO 18 Cb 0.53 -2.22 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2kcd n PRO 18 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2kcd n ARG 19 N 3.07 0.38 -0.00 -0.52 1.85 -1.26 -3.82 116.66 116.35 2kcd n ARG 19 Ca 0.19 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 57.18 2kcd n ARG 19 Cb 0.22 -1.63 0.76 0.00 -1.05 0.00 0.00 32.46 30.76 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2kcd n ASP 20 N -2.11 0.46 -4.60 2.89 5.68 -1.26 -4.73 116.55 112.87 2kcd n ASP 20 Ca 0.01 -1.21 -0.41 0.00 -0.50 0.00 0.00 54.79 52.68 2kcd n ASP 20 Cb 0.47 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.37 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2kcd s GLU 21 N -1.99 3.88 0.23 0.11 2.12 -1.25 -5.04 118.70 116.76 2kcd s GLU 21 Ca 0.42 0.24 -0.28 0.00 0.36 0.00 0.00 54.97 55.71 2kcd s GLU 21 Cb 0.20 -3.73 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 2kcd s GLU 21 CO 0.34 -0.55 0.89 0.15 -0.54 0.00 0.00 175.26 175.54 2kcd s LYS 22 N 2.54 4.72 0.47 4.30 -0.14 -1.26 -5.06 119.74 125.31 2kcd s LYS 22 Ca 0.24 1.35 0.07 0.00 -1.36 0.00 0.00 55.97 56.27 2kcd s LYS 22 Cb -0.15 -3.20 0.07 0.00 -1.68 0.00 0.00 37.83 32.87 2kcd s LYS 22 CO 0.12 0.50 0.57 0.91 -0.76 0.00 0.00 175.35 176.68 2kcd n TRP 23 N 1.37 -1.90 -3.82 3.18 8.01 -1.26 -4.94 117.44 118.08 2kcd n TRP 23 Ca -0.03 -1.81 -0.36 0.00 -1.31 0.00 0.00 57.50 54.00 2kcd n TRP 23 Cb 0.48 -0.43 -0.13 0.00 -2.01 0.00 0.00 31.31 29.22 2kcd n TRP 23 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 2kcd s GLU 24 N -4.08 3.57 0.05 -0.99 0.41 -0.97 -4.91 118.70 111.77 2kcd s GLU 24 Ca 0.43 -0.53 -0.22 0.00 -0.41 0.00 0.00 54.97 54.25 2kcd s GLU 24 Cb -0.03 -3.21 -0.06 0.00 -1.78 0.00 0.00 34.13 29.05 2kcd s GLU 24 CO 0.27 -0.18 0.64 0.00 -0.49 0.00 0.00 175.26 175.51 2kcd s GLU 26 N -0.54 1.24 -0.27 0.00 2.12 -0.84 -5.00 118.70 115.42 2kcd s GLU 26 Ca 0.32 -0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.38 2kcd s GLU 26 Cb -0.20 -1.36 -0.05 0.00 0.26 0.00 0.00 34.13 32.79 2kcd s GLU 26 CO 0.20 -0.25 0.24 0.45 -0.54 0.00 0.00 175.26 175.37 2kcd s SER 27 N 1.66 6.11 -0.03 -1.70 0.15 -1.26 -2.18 113.70 116.45 2kcd s SER 27 Ca 0.03 0.10 -0.06 0.00 0.70 0.00 0.00 55.95 56.72 2kcd s SER 27 Cb -0.13 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2kcd s SER 27 CO -0.06 -0.07 0.15 -0.51 1.20 0.00 0.00 173.24 173.95 2kcd s ILE 28 N 1.74 0.03 -0.12 6.45 -1.16 -1.04 -5.01 121.20 122.08 2kcd s ILE 28 Ca 0.10 -0.29 -0.22 0.00 -0.51 0.00 0.00 60.65 59.73 2kcd s ILE 28 Cb -0.16 -0.31 -0.03 0.00 0.61 0.00 0.00 42.46 42.57 2kcd s ILE 28 CO 0.10 -0.16 0.67 -1.61 -2.81 0.00 0.00 174.94 171.13 2kcd s GLU 29 N -0.52 4.34 0.05 3.50 8.01 -1.26 -1.75 118.70 131.06 2kcd s GLU 29 Ca -0.06 0.76 -0.06 0.00 0.01 0.00 0.00 54.97 55.62 2kcd s GLU 29 Cb -0.04 -3.50 -0.01 0.00 -4.31 0.00 0.00 34.13 26.27 2kcd s GLU 29 CO 0.01 -0.06 0.11 -2.00 0.01 0.00 0.00 175.26 173.32 2kcd s GLU 30 N 1.27 0.64 0.25 1.61 2.12 -1.11 -4.97 118.70 118.52 2kcd s GLU 30 Ca 0.33 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2kcd s GLU 30 Cb -0.17 0.25 -0.10 0.00 0.26 0.00 0.00 34.13 34.38 2kcd s GLU 30 CO 0.14 -0.17 1.38 0.08 -0.54 0.00 0.00 175.26 176.15 2kcd s VAL 31 N -2.97 2.81 0.21 3.70 1.01 -1.26 -2.48 120.40 121.42 2kcd s VAL 31 Ca -0.02 0.70 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 2kcd s VAL 31 Cb 0.01 -3.45 0.16 0.00 0.00 0.00 0.00 36.38 33.10 2kcd s VAL 31 CO -0.06 0.12 1.83 0.00 0.00 0.00 0.00 175.10 176.99 2kcd h ALA 32 N 4.78 0.95 -0.31 5.51 0.00 -1.44 -1.64 119.26 127.11 2kcd h ALA 32 Ca -0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2kcd h ALA 32 Cb 1.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2kcd h ALA 32 CO 0.75 0.14 0.05 0.22 0.00 0.00 0.00 179.25 180.41 2kcd h ASP 33 N 0.79 0.42 0.59 0.00 1.82 -1.77 1.11 116.42 119.38 2kcd h ASP 33 Ca 0.31 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 2kcd h ASP 33 Cb 0.13 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.03 2kcd h ASP 33 CO -0.16 0.45 0.00 0.44 -1.61 0.00 0.00 179.24 178.36 2kcd h ASP 34 N 0.45 0.00 0.00 2.28 5.19 -1.67 -3.18 116.42 119.49 2kcd h ASP 34 Ca 0.10 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 2kcd h ASP 34 Cb 0.22 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 2kcd h ASP 34 CO 0.00 0.00 -1.07 0.00 -3.12 0.00 0.00 179.24 175.05 2kcd n ILE 35 N -2.47 0.05 -3.67 0.35 3.06 -0.56 -4.93 119.36 111.19 2kcd n ILE 35 Ca 0.01 -0.04 -0.39 0.00 -2.50 0.00 0.00 62.75 59.83 2kcd n ILE 35 Cb 0.19 -0.52 -0.10 0.00 0.54 0.00 0.00 39.64 39.75 2kcd n ILE 35 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2kcd s LEU 36 N -3.77 5.13 0.97 9.51 1.43 0.37 -5.09 118.68 127.24 2kcd s LEU 36 Ca -0.01 -1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 51.29 2kcd s LEU 36 Cb 0.00 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 2kcd s LEU 36 CO 0.05 -0.53 0.05 -2.65 0.23 0.00 0.00 176.35 173.49 2kcd n PRO 37 N 4.81 -0.27 0.00 1.29 -0.02 -1.26 -4.41 135.00 135.14 2kcd n PRO 37 Ca -0.08 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2kcd n PRO 37 Cb 0.42 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kcd n ASP 38 N -0.04 0.00 -0.28 2.55 5.68 -1.26 -1.48 116.55 121.72 2kcd n ASP 38 Ca 0.04 0.24 0.01 0.00 -0.50 0.00 0.00 54.79 54.58 2kcd n ASP 38 Cb 0.55 -0.24 0.21 0.00 -1.14 0.00 0.00 41.12 40.50 2kcd n ASP 38 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2kcd h GLN 39 N 0.00 1.07 -2.02 0.11 4.20 -2.01 -3.30 115.11 113.16 2kcd h GLN 39 Ca 0.00 -0.06 -0.55 0.00 0.06 0.00 0.00 58.65 58.10 2kcd h GLN 39 Cb 0.19 -0.24 -0.39 0.00 0.30 0.00 0.00 27.48 27.34 2kcd h GLN 39 CO 0.00 0.71 -1.08 0.66 -0.67 0.00 0.00 178.83 178.45 2kcd n TYR 40 N -4.43 0.10 0.00 2.96 4.01 -0.55 -4.81 117.16 114.44 2kcd n TYR 40 Ca 0.10 -3.66 0.00 0.00 -0.16 0.00 0.00 57.90 54.19 2kcd n TYR 40 Cb 0.07 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.72 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 1.13 0.00 0.00 -0.72 0.31 -1.24 -4.85 118.33 112.95 2kcd n VAL 41 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2kcd n VAL 41 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2kcd n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kcd n ARG 42 N -0.13 0.00 -0.26 5.55 5.12 -1.26 -2.16 116.66 123.53 2kcd n ARG 42 Ca 0.00 0.13 -0.06 0.00 -1.93 0.00 0.00 57.85 55.99 2kcd n ARG 42 Cb 0.00 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 29.85 2kcd n ARG 42 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2kcd h LEU 43 N 0.00 0.93 0.00 0.55 -0.00 -1.93 -3.48 115.31 111.38 2kcd h LEU 43 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2kcd h LEU 43 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.43 2kcd h LEU 43 CO 0.00 0.79 0.00 0.61 -0.00 0.00 0.00 178.44 179.84 2kcd n GLY 44 N -0.99 2.35 0.38 0.83 0.00 -0.92 -4.88 105.19 101.96 2kcd n GLY 44 Ca 0.06 -0.73 0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 0.62 -0.00 1.61 0.11 -1.93 0.76 132.00 133.17 2kcd h PRO 45 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2kcd h PRO 45 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2kcd h PRO 45 CO 0.00 0.41 -0.13 1.28 -0.21 0.00 0.00 178.00 179.35 2kcd n LEU 46 N -4.61 0.37 -4.71 2.35 4.77 -1.26 -4.52 117.00 109.39 2kcd n LEU 46 Ca 0.20 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 2kcd n LEU 46 Cb 0.58 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2kcd n LEU 46 CO 0.27 0.07 0.76 -0.94 -1.33 0.00 0.00 177.39 176.22 2kcd s SER 47 N -2.63 7.27 -1.09 -1.43 1.04 0.26 -3.59 113.70 113.53 2kcd s SER 47 Ca 0.24 1.74 -0.03 0.00 0.48 0.00 0.00 55.95 58.37 2kcd s SER 47 Cb 0.20 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.77 2kcd s SER 47 CO 0.51 -0.35 0.20 -3.20 0.98 0.00 0.00 173.24 171.37 2kcd n ASN 48 N 4.12 -3.74 -4.43 7.02 2.85 -1.26 -4.92 115.26 114.89 2kcd n ASN 48 Ca 0.07 -0.01 -0.35 0.00 -0.11 0.00 0.00 54.58 54.18 2kcd n ASN 48 Cb 0.49 -3.15 -0.13 0.00 1.24 0.00 0.00 39.78 38.24 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 -5.40 3.59 -0.06 1.20 2.20 -1.24 -4.96 119.74 115.08 2kcd s LYS 49 Ca 0.15 -0.53 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 2kcd s LYS 49 Cb -0.08 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 2kcd s LYS 49 CO 0.19 -0.00 0.85 0.42 -0.36 0.00 0.00 175.35 176.45 2kcd s ILE 50 N 1.03 4.93 0.23 5.43 1.09 -1.26 -1.26 121.20 131.38 2kcd s ILE 50 Ca 0.02 1.76 0.01 0.00 -1.10 0.00 0.00 60.65 61.34 2kcd s ILE 50 Cb -0.14 -4.19 -0.05 0.00 -1.06 0.00 0.00 42.46 37.02 2kcd s ILE 50 CO 0.01 0.16 0.06 -1.48 -0.10 0.00 0.00 174.94 173.60 2kcd s LEU 51 N 1.18 1.81 -0.18 2.97 2.34 -1.03 -4.93 118.68 120.84 2kcd s LEU 51 Ca 0.44 -1.31 -0.29 0.00 0.06 0.00 0.00 54.13 53.03 2kcd s LEU 51 Cb -0.19 -0.00 -0.00 0.00 -0.56 0.00 0.00 46.19 45.44 2kcd s LEU 51 CO 0.21 -0.67 1.07 -1.58 -1.06 0.00 0.00 176.35 174.32 2kcd s GLN 52 N -3.99 4.31 -0.26 1.48 2.00 -0.72 -2.75 119.66 119.72 2kcd s GLN 52 Ca 0.33 1.43 -0.04 0.00 -2.00 0.00 0.00 55.36 55.08 2kcd s GLN 52 Cb 0.07 -3.63 0.01 0.00 0.80 0.00 0.00 33.01 30.27 2kcd s GLN 52 CO 0.10 -0.54 -0.00 0.99 -0.50 0.00 0.00 175.29 175.33 2kcd s THR 53 N 2.86 3.41 -0.47 -0.34 2.01 -0.72 -1.46 115.64 120.93 2kcd s THR 53 Ca 0.47 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 2kcd s THR 53 Cb -0.17 -2.71 0.09 0.00 0.01 0.00 0.00 72.50 69.72 2kcd s THR 53 CO 0.11 0.20 0.37 0.21 -0.69 0.00 0.00 174.62 174.83 2kcd s ASN 54 N 1.43 5.98 -0.17 3.53 3.84 -0.82 -2.51 114.94 126.22 2kcd s ASN 54 Ca 0.02 -1.51 -0.13 0.00 0.21 0.00 0.00 52.86 51.45 2kcd s ASN 54 Cb -0.16 -2.12 -0.05 0.00 -0.55 0.00 0.00 41.25 38.37 2kcd s ASN 54 CO -0.01 -0.66 0.25 -0.89 -2.79 0.00 0.00 177.10 172.99 2kcd s THR 55 N 1.55 5.33 -0.09 -5.21 2.01 -0.92 -2.05 115.64 116.26 2kcd s THR 55 Ca 0.04 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.48 2kcd s THR 55 Cb -0.25 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2kcd s THR 55 CO 0.04 0.41 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.03 2kcd s TYR 56 N 0.39 3.02 -0.16 4.92 1.51 -0.98 -1.99 117.35 124.06 2kcd s TYR 56 Ca 0.14 0.03 -0.14 0.00 -1.01 0.00 0.00 57.07 56.09 2kcd s TYR 56 Cb -0.12 -1.77 0.04 0.00 -0.11 0.00 0.00 41.96 40.00 2kcd s TYR 56 CO 0.02 0.32 0.43 1.52 -1.11 0.00 0.00 175.55 176.73 2kcd s TYR 57 N -0.66 -0.49 0.32 2.71 -0.85 -1.02 -4.01 117.35 113.35 2kcd s TYR 57 Ca 0.10 1.17 0.06 0.00 -0.52 0.00 0.00 57.07 57.88 2kcd s TYR 57 Cb -0.12 0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 2kcd s TYR 57 CO 0.02 -0.24 0.23 -1.13 -1.52 0.00 0.00 175.55 172.91 2kcd n SER 58 N 3.03 -0.19 -0.07 -0.18 3.41 -1.26 -2.30 113.62 116.05 2kcd n SER 58 Ca -0.14 -3.01 -0.10 0.00 -0.26 0.00 0.00 58.87 55.36 2kcd n SER 58 Cb 0.57 1.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.88 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 1.78 0.33 -0.20 4.04 3.32 -1.98 0.19 116.42 123.90 2kcd h ASP 59 Ca -0.23 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 2kcd h ASP 59 Cb 1.10 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2kcd h ASP 59 CO 0.35 0.34 0.03 0.74 -1.72 0.00 0.00 179.24 178.98 2kcd h THR 60 N 0.29 1.23 -0.66 0.35 2.02 -1.98 0.65 112.91 114.81 2kcd h THR 60 Ca 0.09 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 2kcd h THR 60 Cb 0.09 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2kcd h THR 60 CO -0.01 0.23 0.30 -0.07 0.37 0.00 0.00 175.52 176.34 2kcd h LEU 61 N 0.12 0.88 -0.41 2.58 4.07 -1.82 0.16 115.31 120.89 2kcd h LEU 61 Ca 0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 2kcd h LEU 61 Cb 0.32 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 2kcd h LEU 61 CO 0.00 0.78 0.13 -0.74 -1.08 0.00 0.00 178.44 177.53 2kcd h HIS 62 N 0.92 0.65 -0.48 1.13 2.76 -0.48 0.34 115.15 119.99 2kcd h HIS 62 Ca 0.23 -0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2kcd h HIS 62 Cb 0.14 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 2kcd h HIS 62 CO 0.01 0.60 0.05 -0.22 -1.30 0.00 0.00 177.93 177.07 2kcd h LYS 63 N 0.52 0.82 0.00 5.26 3.64 -0.51 -1.77 116.57 124.53 2kcd h LYS 63 Ca 0.13 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 2kcd h LYS 63 Cb 0.26 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2kcd h LYS 63 CO -0.00 0.84 0.00 0.43 -2.27 0.00 0.00 179.45 178.45 2kcd n SER 64 N -4.39 0.00 -3.10 4.20 7.64 0.53 -4.84 113.62 113.65 2kcd n SER 64 Ca 0.01 -0.82 -0.22 0.00 1.01 0.00 0.00 58.87 58.85 2kcd n SER 64 Cb 0.28 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.53 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 -0.95 -6.06 -4.38 6.43 5.03 -0.53 -4.58 115.26 110.21 2kcd n ASN 65 Ca 0.16 -0.36 -0.33 0.00 0.87 0.00 0.00 54.58 54.92 2kcd n ASN 65 Cb 0.07 -4.80 -0.14 0.00 -1.02 0.00 0.00 39.78 33.89 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 -3.21 3.12 -0.43 2.41 -1.09 0.11 -3.52 121.20 118.59 2kcd s ILE 66 Ca 0.39 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 2kcd s ILE 66 Cb -0.17 -2.32 0.13 0.00 -1.58 0.00 0.00 42.46 38.53 2kcd s ILE 66 CO 0.48 0.52 0.23 -0.31 -1.23 0.00 0.00 174.94 174.64 2kcd s TYR 67 N 0.34 1.97 0.38 3.97 1.51 -1.09 -4.23 117.35 120.19 2kcd s TYR 67 Ca -0.10 -2.40 -0.24 0.00 -1.01 0.00 0.00 57.07 53.32 2kcd s TYR 67 Cb -0.16 -1.88 -0.10 0.00 -0.11 0.00 0.00 41.96 39.71 2kcd s TYR 67 CO 0.05 -0.79 0.98 -1.25 -1.11 0.00 0.00 175.55 173.44 2kcd s PRO 68 N 0.41 4.33 0.00 -1.71 0.04 -1.26 -2.39 135.00 134.42 2kcd s PRO 68 Ca 0.17 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 2kcd s PRO 68 Cb -0.24 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2kcd s PRO 68 CO -0.00 0.04 0.12 -0.59 0.04 0.00 0.00 177.00 176.61 2kcd s PHE 69 N -1.78 0.05 -0.06 0.56 -0.12 -0.63 -2.31 117.98 113.68 2kcd s PHE 69 Ca 0.56 -0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.35 2kcd s PHE 69 Cb -0.17 -0.05 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2kcd s PHE 69 CO 0.22 -0.26 -0.18 0.42 -0.05 0.00 0.00 175.22 175.37 2kcd s ILE 70 N -1.28 1.53 -0.17 -4.49 1.01 -0.87 -2.92 121.20 114.01 2kcd s ILE 70 Ca -0.14 -0.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 2kcd s ILE 70 Cb -0.07 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 2kcd s ILE 70 CO 0.01 0.44 0.11 -0.76 0.00 0.00 0.00 174.94 174.74 2kcd s LEU 71 N 0.24 4.13 0.03 2.97 1.43 -0.94 -1.94 118.68 124.59 2kcd s LEU 71 Ca -0.10 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2kcd s LEU 71 Cb -0.14 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2kcd s LEU 71 CO 0.04 0.25 -0.18 -0.31 0.23 0.00 0.00 176.35 176.37 2kcd s TYR 72 N -0.05 1.60 -0.18 0.29 2.02 -0.54 -2.67 117.35 117.82 2kcd s TYR 72 Ca 0.09 -0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 2kcd s TYR 72 Cb -0.12 -0.97 0.06 0.00 -0.40 0.00 0.00 41.96 40.53 2kcd s TYR 72 CO 0.00 0.05 0.05 -0.47 -1.57 0.00 0.00 175.55 173.61 2kcd s TYR 73 N -0.73 0.75 0.00 2.71 5.04 -1.03 -1.76 117.35 122.33 2kcd s TYR 73 Ca 0.06 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 2kcd s TYR 73 Cb -0.08 -0.91 0.00 0.00 0.35 0.00 0.00 41.96 41.32 2kcd s TYR 73 CO 0.01 -0.56 0.00 1.04 -1.34 0.00 0.00 175.55 174.70 2kcd n GLN 74 N 5.13 0.00 -2.85 4.97 6.02 -1.26 -2.24 117.38 127.15 2kcd n GLN 74 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.79 2kcd n GLN 74 Cb 0.48 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.77 2kcd n GLN 74 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2kcd n LYS 75 N 0.00 0.84 -3.63 -1.09 4.81 -1.26 -5.12 118.16 112.71 2kcd n LYS 75 Ca 0.00 -2.15 -0.06 0.00 -0.87 0.00 0.00 58.31 55.23 2kcd n LYS 75 Cb 0.00 -1.34 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 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 0.05 0.32 0.10 1.64 0.74 -0.95 -5.14 119.66 116.42 2kcd s GLN 76 Ca 0.31 0.23 -0.30 0.00 0.05 0.00 0.00 55.36 55.65 2kcd s GLN 76 Cb 0.24 0.15 -0.06 0.00 1.10 0.00 0.00 33.01 34.45 2kcd s GLN 76 CO -0.16 -0.07 1.00 -1.17 -0.55 0.00 0.00 175.29 174.33 2kcd s LEU 77 N -0.40 4.47 -0.22 3.68 2.96 -1.26 -2.46 118.68 125.45 2kcd s LEU 77 Ca 0.04 1.83 -0.13 0.00 -0.22 0.00 0.00 54.13 55.65 2kcd s LEU 77 Cb -0.03 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.98 2kcd s LEU 77 CO -0.07 -0.14 -0.31 -0.38 -1.32 0.00 0.00 176.35 174.13 2kcd n ILE 78 N 2.97 1.37 -3.51 6.68 2.08 -1.09 -4.70 119.36 123.16 2kcd n ILE 78 Ca 0.03 -0.19 -0.09 0.00 0.56 0.00 0.00 62.75 63.06 2kcd n ILE 78 Cb 0.49 -1.95 -0.03 0.00 -0.75 0.00 0.00 39.64 37.40 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 -2.54 -1.82 -0.02 -1.39 0.00 -1.26 0.37 121.76 115.09 2kcd s ALA 79 Ca -0.31 1.09 0.02 0.00 0.00 0.00 0.00 51.96 52.76 2kcd s ALA 79 Cb 0.10 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.47 2kcd s ALA 79 CO 0.41 -0.62 -0.07 0.42 0.00 0.00 0.00 175.76 175.91 2kcd s ILE 80 N -2.74 0.60 0.16 0.00 1.01 0.12 -2.23 121.20 118.12 2kcd s ILE 80 Ca 0.03 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.20 2kcd s ILE 80 Cb -0.01 -0.53 0.07 0.00 0.01 0.00 0.00 42.46 42.00 2kcd s ILE 80 CO -0.07 0.19 0.94 0.61 0.00 0.00 0.00 174.94 176.61 2kcd n GLY 81 N 3.19 0.65 3.39 6.18 0.00 -1.15 -1.63 105.19 115.82 2kcd n GLY 81 Ca -0.16 -1.12 -0.10 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 -2.49 0.05 -0.21 1.61 -0.71 -0.99 -1.61 117.98 113.63 2kcd s PHE 82 Ca 0.21 -0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 55.63 2kcd s PHE 82 Cb -0.02 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 2kcd s PHE 82 CO 0.05 -0.77 0.05 0.42 -1.34 0.00 0.00 175.22 173.62 2kcd s ILE 83 N -3.89 4.43 0.79 -4.49 1.01 -1.01 -1.95 121.20 116.10 2kcd s ILE 83 Ca 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 2kcd s ILE 83 Cb 0.02 -3.02 0.15 0.00 0.01 0.00 0.00 42.46 39.61 2kcd s ILE 83 CO -0.05 0.41 1.08 -0.62 0.00 0.00 0.00 174.94 175.77 2kcd s ASP 84 N 0.89 4.03 0.32 3.58 2.15 -1.17 -2.67 116.67 123.80 2kcd s ASP 84 Ca 0.03 -0.18 0.02 0.00 0.43 0.00 0.00 52.55 52.85 2kcd s ASP 84 Cb -0.14 -0.11 0.55 0.00 -0.30 0.00 0.00 42.92 42.92 2kcd s ASP 84 CO 0.02 -2.09 1.91 -0.08 -0.17 0.00 0.00 175.17 174.76 2kcd h GLU 85 N -0.83 0.73 -1.18 4.34 4.81 -1.81 -2.04 114.58 118.60 2kcd h GLU 85 Ca -0.39 -0.11 -0.50 0.00 -0.13 0.00 0.00 59.36 58.24 2kcd h GLU 85 Cb 1.26 -0.13 -0.23 0.00 0.63 0.00 0.00 28.75 30.28 2kcd h GLU 85 CO 0.40 0.61 0.64 0.09 -0.73 0.00 0.00 179.01 180.02 2kcd n ASN 86 N -4.34 6.38 0.00 1.04 3.02 -1.26 -5.01 115.26 115.09 2kcd n ASN 86 Ca 0.04 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 51.17 2kcd n ASN 86 Cb 0.16 -0.96 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 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 -0.45 0.00 -3.05 3.10 8.25 -0.77 -4.93 115.22 117.37 2kcd n HIS 87 Ca 0.48 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.94 2kcd n HIS 87 Cb 0.80 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.90 2kcd n HIS 87 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2kcd n ASP 88 N 5.36 -6.63 -4.73 0.41 8.00 -1.26 -3.06 116.55 114.63 2kcd n ASP 88 Ca 0.00 0.76 -0.42 0.00 0.71 0.00 0.00 54.79 55.84 2kcd n ASP 88 Cb 0.00 -2.41 -0.02 0.00 -0.02 0.00 0.00 41.12 38.67 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 -0.85 4.13 -0.18 -1.24 -1.94 -1.26 -4.36 119.30 113.59 2kcd s MET 89 Ca -0.02 2.58 -0.09 0.00 -1.71 0.00 0.00 55.69 56.46 2kcd s MET 89 Cb 0.00 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 2kcd s MET 89 CO 0.18 -0.69 0.10 -0.51 -0.01 0.00 0.00 175.02 174.09 2kcd s ASP 90 N 0.87 5.96 -0.24 3.03 1.01 -0.82 -4.97 116.67 121.51 2kcd s ASP 90 Ca 0.69 0.18 -0.11 0.00 0.71 0.00 0.00 52.55 54.03 2kcd s ASP 90 Cb -0.49 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 2kcd s ASP 90 CO 0.39 0.20 0.17 -0.36 0.21 0.00 0.00 175.17 175.78 2kcd s PHE 91 N 0.24 3.31 -0.15 4.23 0.08 -1.26 -2.36 117.98 122.08 2kcd s PHE 91 Ca 0.06 0.23 0.12 0.00 0.12 0.00 0.00 56.93 57.47 2kcd s PHE 91 Cb -0.12 -2.28 -0.18 0.00 -0.57 0.00 0.00 43.02 39.87 2kcd s PHE 91 CO -0.01 0.05 0.04 -0.11 -0.10 0.00 0.00 175.22 175.09 2kcd n LEU 92 N 4.34 0.16 -3.52 -0.37 7.94 -0.65 -4.95 117.00 119.94 2kcd n LEU 92 Ca -0.15 -0.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.69 2kcd n LEU 92 Cb 0.52 0.31 -0.07 0.00 0.53 0.00 0.00 43.42 44.71 2kcd n LEU 92 CO 0.35 0.39 0.07 -0.47 -1.11 0.00 0.00 177.39 176.62 2kcd s TYR 93 N -2.36 -1.02 -0.18 1.96 5.04 -1.12 -4.76 117.35 114.91 2kcd s TYR 93 Ca -0.08 1.57 -0.03 0.00 -2.44 0.00 0.00 57.07 56.08 2kcd s TYR 93 Cb 0.04 0.38 -0.02 0.00 0.35 0.00 0.00 41.96 42.72 2kcd s TYR 93 CO 0.59 -0.62 -0.05 -1.17 -1.34 0.00 0.00 175.55 172.95 2kcd s LEU 94 N 2.69 3.00 -0.16 6.97 2.96 -1.25 0.12 118.68 133.01 2kcd s LEU 94 Ca 0.04 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 2kcd s LEU 94 Cb -0.13 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.86 2kcd s LEU 94 CO -0.16 0.09 -0.05 -2.28 -1.32 0.00 0.00 176.35 172.63 2kcd s HIS 95 N 0.85 1.62 -0.14 5.38 5.65 0.16 -4.14 115.29 124.67 2kcd s HIS 95 Ca -0.01 -1.01 -0.20 0.00 0.25 0.00 0.00 55.06 54.09 2kcd s HIS 95 Cb -0.15 -1.28 -0.03 0.00 -1.18 0.00 0.00 32.58 29.94 2kcd s HIS 95 CO 0.01 -0.59 0.58 1.21 -0.65 0.00 0.00 174.74 175.30 2kcd s ASN 96 N 1.66 6.74 0.57 9.88 2.47 -1.26 -4.40 114.94 130.59 2kcd s ASN 96 Ca 0.01 0.89 0.27 0.00 0.42 0.00 0.00 52.86 54.45 2kcd s ASN 96 Cb -0.15 -2.34 0.93 0.00 -1.45 0.00 0.00 41.25 38.25 2kcd s ASN 96 CO -0.08 -0.14 1.24 0.35 -3.72 0.00 0.00 177.10 174.75 2kcd n THR 97 N 4.16 0.00 -0.10 -5.21 -2.24 -1.26 0.09 114.28 109.72 2kcd n THR 97 Ca -0.03 1.20 -0.19 0.00 -2.27 0.00 0.00 64.05 62.76 2kcd n THR 97 Cb 0.51 -2.14 -0.09 0.00 -2.10 0.00 0.00 70.33 66.51 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 -3.19 1.51 -3.48 2.28 0.31 -1.26 -5.01 118.33 109.49 2kcd n VAL 98 Ca 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2kcd n VAL 98 Cb 1.49 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.37 0.30 0.30 5.55 0.23 0.11 -5.15 119.30 118.28 2kcd s MET 99 Ca -0.27 0.67 -0.27 0.00 -1.03 0.00 0.00 55.69 54.79 2kcd s MET 99 Cb 0.06 0.30 -0.14 0.00 -1.53 0.00 0.00 34.83 33.52 2kcd s MET 99 CO 0.50 -0.09 0.93 -2.30 -2.03 0.00 0.00 175.02 172.03 2kcd n PRO 100 N 4.51 1.16 0.00 3.16 -0.02 -1.25 -4.03 135.00 138.52 2kcd n PRO 100 Ca -0.12 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2kcd n PRO 100 Cb 0.54 -1.75 0.21 0.00 -0.02 0.00 0.00 33.50 32.48 2kcd n PRO 100 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcd n LEU 101 N 1.25 0.80 -3.50 2.45 4.77 -1.26 -4.85 117.00 116.66 2kcd n LEU 101 Ca 0.11 -0.19 0.01 0.00 -0.03 0.00 0.00 56.01 55.90 2kcd n LEU 101 Cb 0.32 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 2kcd n LEU 101 CO 0.59 0.18 0.78 -1.48 -1.33 0.00 0.00 177.39 176.12 2kcd s LEU 102 N -2.84 -0.35 -0.31 2.23 0.05 -1.26 -5.13 118.68 111.07 2kcd s LEU 102 Ca 0.14 0.52 -0.01 0.00 0.05 0.00 0.00 54.13 54.83 2kcd s LEU 102 Cb 0.18 1.45 0.13 0.00 -2.05 0.00 0.00 46.19 45.90 2kcd s LEU 102 CO 0.67 -0.08 0.26 -1.81 -0.55 0.00 0.00 176.35 174.85 2kcd s ASP 103 N 1.69 2.15 -0.29 1.48 1.01 -1.26 -3.86 116.67 117.59 2kcd s ASP 103 Ca -0.05 -1.12 -0.09 0.00 0.71 0.00 0.00 52.55 52.00 2kcd s ASP 103 Cb -0.03 0.24 -0.01 0.00 1.01 0.00 0.00 42.92 44.12 2kcd s ASP 103 CO -0.15 -0.38 0.12 -1.10 0.21 0.00 0.00 175.17 173.88 2kcd s GLN 104 N 2.06 3.38 0.26 8.23 -0.21 -1.26 -4.97 119.66 127.16 2kcd s GLN 104 Ca 0.11 -0.68 -0.01 0.00 0.02 0.00 0.00 55.36 54.81 2kcd s GLN 104 Cb -0.15 -3.47 0.33 0.00 1.00 0.00 0.00 33.01 30.72 2kcd s GLN 104 CO -0.27 -0.36 1.72 0.00 -2.12 0.00 0.00 175.29 174.26 2kcd h ARG 105 N 8.30 0.66 -0.57 2.91 2.47 -1.99 -2.75 114.38 123.42 2kcd h ARG 105 Ca -0.34 -0.22 0.03 0.00 -1.26 0.00 0.00 59.98 58.19 2kcd h ARG 105 Cb 1.15 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.38 2kcd h ARG 105 CO 0.60 0.79 0.34 1.88 0.56 0.00 0.00 179.97 184.14 2kcd h TYR 106 N 0.60 0.64 -0.39 3.04 0.05 -1.96 -1.58 116.97 117.36 2kcd h TYR 106 Ca 0.10 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 2kcd h TYR 106 Cb 0.60 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 2kcd h TYR 106 CO 0.03 0.36 -0.10 1.25 -1.05 0.00 0.00 178.16 178.65 2kcd h LEU 107 N 0.67 0.67 -0.24 3.88 5.85 -1.91 2.04 115.31 126.27 2kcd h LEU 107 Ca 0.23 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kcd h LEU 107 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2kcd h LEU 107 CO -0.10 0.80 0.15 0.25 -0.34 0.00 0.00 178.44 179.20 2kcd h LEU 108 N 0.63 0.28 -2.21 2.25 7.12 -1.02 -2.52 115.31 119.84 2kcd h LEU 108 Ca 0.11 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2kcd h LEU 108 Cb 0.54 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 2kcd h LEU 108 CO 0.03 0.24 0.00 1.07 -0.13 0.00 0.00 178.44 179.66 2kcd n THR 109 N -4.90 0.44 -3.50 1.05 5.66 -0.74 -4.56 114.28 107.74 2kcd n THR 109 Ca -0.03 -0.70 -0.38 0.00 -3.05 0.00 0.00 64.05 59.89 2kcd n THR 109 Cb 0.05 0.99 0.04 0.00 -1.55 0.00 0.00 70.33 69.86 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kcd n GLY 110 N 1.48 0.10 3.71 1.09 0.00 0.69 -4.79 105.19 107.46 2kcd n GLY 110 Ca 0.19 1.16 -0.42 0.00 0.00 0.00 0.00 46.02 46.95 2kcd n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcd s GLY 111 N -1.54 1.74 0.00 -0.02 0.00 -0.92 -5.00 107.32 101.59 2kcd s GLY 111 Ca 0.37 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.33 2kcd s GLY 111 CO 0.88 2.53 0.00 0.61 0.00 0.00 0.00 173.10 177.11 2kcd n GLN 112 N 4.13 1.90 -2.69 2.90 10.64 -1.26 -5.04 117.38 127.96 2kcd n GLN 112 Ca 0.13 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.88 2kcd n GLN 112 Cb 0.40 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.75 2kcd n GLN 112 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2kcd s LEU 113 N 0.00 4.42 0.25 2.61 2.96 -1.26 -4.99 118.68 122.67 2kcd s LEU 113 Ca 0.00 1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 55.35 2kcd s LEU 113 Cb 0.00 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 2kcd s LEU 113 CO 0.00 -0.21 1.48 -1.61 -1.32 0.00 0.00 176.35 174.70 2kcd s GLU 114 N 0.61 4.23 -0.05 1.98 2.02 -1.26 -4.87 118.70 121.36 2kcd s GLU 114 Ca 0.51 2.37 0.11 0.00 0.02 0.00 0.00 54.97 57.98 2kcd s GLU 114 Cb -0.23 -3.09 0.42 0.00 0.10 0.00 0.00 34.13 31.33 2kcd s GLU 114 CO 0.29 -0.48 1.28 -2.39 0.02 0.00 0.00 175.26 173.98 2kcd n HIS 115 N 2.38 0.82 0.00 1.61 1.44 -1.26 -4.85 115.22 115.36 2kcd n HIS 115 Ca 0.07 -0.34 0.00 0.00 -2.01 0.00 0.00 57.72 55.45 2kcd n HIS 115 Cb 0.39 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.37 2kcd n HIS 115 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kcd n HIS 116 N 0.59 -0.73 -0.29 -1.40 -0.00 -1.26 -4.82 115.22 107.31 2kcd n HIS 116 Ca 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.82 2kcd n HIS 116 Cb 0.53 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.59 2kcd n HIS 116 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kcd h HIS 117 N -0.73 1.07 0.00 -1.40 3.86 -2.05 -3.44 115.15 112.46 2kcd h HIS 117 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2kcd h HIS 117 Cb 0.00 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.12 2kcd h HIS 117 CO 0.00 0.73 0.00 1.58 0.86 0.00 0.00 177.93 181.10 2kcd n HIS 118 N -4.45 0.00 -2.32 2.45 -0.00 -1.26 -4.70 115.22 104.94 2kcd n HIS 118 Ca 0.08 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.86 2kcd n HIS 118 Cb 0.07 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.91 2kcd n HIS 118 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcd s HIS 119 N 0.00 3.33 0.00 1.57 3.76 -1.26 -5.24 115.29 117.44 2kcd s HIS 119 Ca 0.00 1.58 0.00 0.00 -0.15 0.00 0.00 55.06 56.49 2kcd s HIS 119 Cb 0.00 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.25 2kcd s HIS 119 CO 0.00 -1.11 0.00 -2.39 -0.85 0.00 0.00 174.74 170.39