#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 -0.12 -0.29 2.03 -2.24 -1.26 -4.76 114.28 107.65 2kcd n THR 2 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 2kcd n THR 2 Cb 0.00 -0.41 0.06 0.00 -2.10 0.00 0.00 70.33 67.89 2kcd n THR 2 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kcd h LEU 3 N -0.38 1.08 0.43 3.22 3.38 -2.01 0.59 115.31 121.62 2kcd h LEU 3 Ca -0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2kcd h LEU 3 Cb 1.17 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2kcd h LEU 3 CO 0.36 0.95 -0.22 -0.08 0.09 0.00 0.00 178.44 179.55 2kcd h GLU 4 N 1.14 -0.57 -0.61 1.13 4.81 -1.99 0.63 114.58 119.12 2kcd h GLU 4 Ca 0.26 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 2kcd h GLU 4 Cb 0.20 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2kcd h GLU 4 CO -0.02 -0.38 0.17 -0.07 -0.73 0.00 0.00 179.01 177.97 2kcd h LEU 5 N -0.59 0.90 -1.14 1.64 3.38 -1.92 -2.47 115.31 115.10 2kcd h LEU 5 Ca -0.06 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 2kcd h LEU 5 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2kcd h LEU 5 CO 0.09 0.89 -0.10 -0.61 0.09 0.00 0.00 178.44 178.79 2kcd h GLN 6 N 0.88 0.48 -0.43 1.13 5.75 -0.65 -2.63 115.11 119.64 2kcd h GLN 6 Ca 0.19 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2kcd h GLN 6 Cb 0.32 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 2kcd h GLN 6 CO -0.00 0.59 0.22 1.25 -2.65 0.00 0.00 178.83 178.23 2kcd h LEU 7 N 0.45 0.55 -0.85 -2.39 5.85 0.73 0.51 115.31 120.15 2kcd h LEU 7 Ca 0.09 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2kcd h LEU 7 Cb 0.45 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2kcd h LEU 7 CO 0.02 0.51 0.45 0.11 -0.34 0.00 0.00 178.44 179.19 2kcd h LYS 8 N 0.56 1.20 -0.34 1.25 1.57 -1.23 -2.15 116.57 117.44 2kcd h LYS 8 Ca 0.15 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2kcd h LYS 8 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2kcd h LYS 8 CO -0.02 0.89 -0.20 0.45 -0.57 0.00 0.00 179.45 180.00 2kcd h HIS 9 N 1.19 0.70 -0.25 -1.35 3.86 -1.09 -2.68 115.15 115.54 2kcd h HIS 9 Ca 0.30 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2kcd h HIS 9 Cb 0.06 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 2kcd h HIS 9 CO 0.01 0.78 0.16 -0.92 0.86 0.00 0.00 177.93 178.82 2kcd h TYR 10 N 0.56 0.31 -0.38 2.45 3.20 -0.25 -0.40 116.97 122.46 2kcd h TYR 10 Ca 0.09 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2kcd h TYR 10 Cb 0.65 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2kcd h TYR 10 CO 0.03 0.19 0.14 0.82 -1.64 0.00 0.00 178.16 177.70 2kcd h ILE 11 N 0.34 1.20 -0.29 1.81 5.03 -1.40 0.58 117.51 124.78 2kcd h ILE 11 Ca 0.09 -0.63 0.02 0.00 -0.12 0.00 0.00 64.86 64.22 2kcd h ILE 11 Cb -0.03 0.90 -0.02 0.00 -3.03 0.00 0.00 36.82 34.63 2kcd h ILE 11 CO -0.02 0.23 0.15 0.71 -0.68 0.00 0.00 178.15 178.53 2kcd h THR 12 N 0.48 0.99 -0.53 -0.27 1.35 -1.19 -1.50 112.91 112.24 2kcd h THR 12 Ca 0.13 -0.11 -0.08 0.00 -0.55 0.00 0.00 66.41 65.80 2kcd h THR 12 Cb 0.21 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 2kcd h THR 12 CO -0.01 0.06 -0.00 0.78 -0.25 0.00 0.00 175.52 176.10 2kcd h ASN 13 N 0.31 0.86 -0.22 5.36 -0.26 -0.89 2.38 115.58 123.12 2kcd h ASN 13 Ca 0.12 -0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.63 2kcd h ASN 13 Cb 0.03 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 2kcd h ASN 13 CO -0.08 0.93 0.13 0.25 -1.06 0.00 0.00 177.43 177.60 2kcd h LEU 14 N 0.83 0.26 -2.45 1.61 7.12 -0.28 -2.76 115.31 119.64 2kcd h LEU 14 Ca 0.16 -0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2kcd h LEU 14 Cb 0.49 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.56 2kcd h LEU 14 CO 0.02 0.24 0.00 0.49 -0.13 0.00 0.00 178.44 179.06 2kcd n PHE 15 N -4.90 0.59 -3.23 1.25 3.72 -0.62 -4.94 117.46 109.32 2kcd n PHE 15 Ca -0.03 -0.33 -0.23 0.00 -0.05 0.00 0.00 57.45 56.81 2kcd n PHE 15 Cb 0.05 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.37 -4.92 -4.85 4.37 3.02 0.76 -4.95 115.26 110.06 2kcd n ASN 16 Ca 0.19 -0.36 -0.33 0.00 -0.03 0.00 0.00 54.58 54.05 2kcd n ASN 16 Cb 0.57 -4.01 -0.06 0.00 -0.61 0.00 0.00 39.78 35.67 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 -6.63 4.16 0.36 3.41 1.43 0.11 -4.95 118.68 116.58 2kcd s LEU 17 Ca 0.37 1.17 -0.28 0.00 -1.03 0.00 0.00 54.13 54.36 2kcd s LEU 17 Cb -0.18 -3.80 -0.10 0.00 0.03 0.00 0.00 46.19 42.14 2kcd s LEU 17 CO 0.46 -0.10 1.33 -2.16 0.23 0.00 0.00 176.35 176.10 2kcd s PRO 18 N -2.68 4.21 0.00 1.29 0.04 -1.26 -4.62 135.00 131.98 2kcd s PRO 18 Ca 0.49 2.24 0.24 0.00 0.04 0.00 0.00 61.00 64.01 2kcd s PRO 18 Cb -0.12 -2.97 0.61 0.00 0.04 0.00 0.00 34.50 32.06 2kcd s PRO 18 CO 0.19 -0.32 1.49 2.89 0.04 0.00 0.00 177.00 181.29 2kcd n ARG 19 N 0.56 2.04 -0.01 4.56 1.85 -1.26 -3.93 116.66 120.48 2kcd n ARG 19 Ca 0.01 -1.54 0.14 0.00 -1.00 0.00 0.00 57.85 55.46 2kcd n ARG 19 Cb 0.42 -1.46 0.74 0.00 -1.05 0.00 0.00 32.46 31.11 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 0.81 0.41 -4.81 2.89 5.68 -1.26 -4.81 116.55 115.46 2kcd n ASP 20 Ca 0.17 -1.24 -0.38 0.00 -0.50 0.00 0.00 54.79 52.84 2kcd n ASP 20 Cb 0.47 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.38 2kcd n ASP 20 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2kcd s GLU 21 N -1.98 4.28 0.22 0.11 2.02 -1.25 -5.04 118.70 117.04 2kcd s GLU 21 Ca 0.41 0.84 -0.29 0.00 0.02 0.00 0.00 54.97 55.94 2kcd s GLU 21 Cb 0.20 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.18 2kcd s GLU 21 CO 0.32 0.57 0.92 0.15 0.02 0.00 0.00 175.26 177.24 2kcd s LYS 22 N -1.34 4.81 0.15 1.61 1.02 -1.26 -5.05 119.74 119.67 2kcd s LYS 22 Ca 0.34 1.45 0.04 0.00 0.02 0.00 0.00 55.97 57.82 2kcd s LYS 22 Cb -0.20 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2kcd s LYS 22 CO 0.21 0.49 0.16 -1.58 -0.92 0.00 0.00 175.35 173.71 2kcd s TRP 23 N -1.03 3.22 -0.26 3.18 0.51 -1.26 -4.78 118.94 118.52 2kcd s TRP 23 Ca 0.41 0.02 -0.06 0.00 -2.12 0.00 0.00 56.10 54.35 2kcd s TRP 23 Cb -0.25 -1.55 -0.01 0.00 -0.81 0.00 0.00 33.47 30.85 2kcd s TRP 23 CO 0.31 0.52 0.03 -1.21 -0.51 0.00 0.00 176.95 176.09 2kcd s GLU 24 N -3.08 3.32 0.28 4.98 0.41 -0.99 -4.93 118.70 118.68 2kcd s GLU 24 Ca 0.32 -0.69 -0.23 0.00 -0.41 0.00 0.00 54.97 53.95 2kcd s GLU 24 Cb -0.10 -3.23 -0.09 0.00 -1.78 0.00 0.00 34.13 28.92 2kcd s GLU 24 CO 0.24 -0.30 0.85 0.00 -0.49 0.00 0.00 175.26 175.56 2kcd s GLU 26 N -1.99 0.68 -0.48 0.00 2.12 -0.49 -4.97 118.70 113.56 2kcd s GLU 26 Ca 0.47 -0.74 -0.21 0.00 0.36 0.00 0.00 54.97 54.85 2kcd s GLU 26 Cb -0.18 -1.98 0.04 0.00 0.26 0.00 0.00 34.13 32.27 2kcd s GLU 26 CO 0.23 -0.83 0.69 0.45 -0.54 0.00 0.00 175.26 175.26 2kcd s SER 27 N 1.76 6.29 0.09 -1.70 0.15 -1.26 -2.11 113.70 116.92 2kcd s SER 27 Ca 0.04 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.19 2kcd s SER 27 Cb -0.17 -2.33 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 2kcd s SER 27 CO -0.18 -0.90 -0.10 0.27 1.20 0.00 0.00 173.24 173.53 2kcd s ILE 28 N 2.95 0.86 -0.16 6.45 -4.36 -0.72 -5.00 121.20 121.22 2kcd s ILE 28 Ca 0.21 -1.57 -0.16 0.00 -0.26 0.00 0.00 60.65 58.88 2kcd s ILE 28 Cb -0.16 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.25 2kcd s ILE 28 CO 0.17 -0.54 0.38 -1.61 0.24 0.00 0.00 174.94 173.57 2kcd s GLU 29 N -2.65 4.25 -0.02 0.37 2.02 -1.26 -0.62 118.70 120.79 2kcd s GLU 29 Ca 0.03 0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.21 2kcd s GLU 29 Cb -0.04 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.73 2kcd s GLU 29 CO -0.00 0.12 0.10 -2.00 0.02 0.00 0.00 175.26 173.50 2kcd s GLU 30 N 0.80 0.26 0.21 1.61 2.56 -1.11 -4.92 118.70 118.11 2kcd s GLU 30 Ca 0.20 -0.11 -0.30 0.00 0.00 0.00 0.00 54.97 54.76 2kcd s GLU 30 Cb -0.14 0.11 -0.08 0.00 2.00 0.00 0.00 34.13 36.02 2kcd s GLU 30 CO 0.07 -0.05 1.03 0.08 -0.56 0.00 0.00 175.26 175.83 2kcd s VAL 31 N -0.58 3.94 0.62 3.70 1.01 -1.26 -2.29 120.40 125.54 2kcd s VAL 31 Ca -0.07 1.79 0.26 0.00 0.00 0.00 0.00 61.98 63.97 2kcd s VAL 31 Cb -0.04 -4.14 0.32 0.00 0.00 0.00 0.00 36.38 32.52 2kcd s VAL 31 CO 0.00 0.36 1.74 0.00 0.00 0.00 0.00 175.10 177.21 2kcd h ALA 32 N 4.64 2.01 0.05 5.51 0.00 -1.58 -0.28 119.26 129.61 2kcd h ALA 32 Ca -0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kcd h ALA 32 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kcd h ALA 32 CO 0.70 -0.76 -0.03 0.22 0.00 0.00 0.00 179.25 179.38 2kcd h ASP 33 N 0.00 -0.06 0.17 0.00 1.82 -1.80 0.07 116.42 116.61 2kcd h ASP 33 Ca 0.17 -0.02 -0.15 0.00 -0.39 0.00 0.00 57.03 56.63 2kcd h ASP 33 Cb 1.33 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.35 2kcd h ASP 33 CO -0.00 -0.02 -0.57 -0.78 -1.61 0.00 0.00 179.24 176.26 2kcd h ASP 34 N -0.10 0.47 0.00 2.28 1.82 -1.43 -3.38 116.42 116.07 2kcd h ASP 34 Ca -0.01 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 2kcd h ASP 34 Cb 0.08 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 39.96 2kcd h ASP 34 CO 0.01 0.93 0.00 -0.38 -1.61 0.00 0.00 179.24 178.20 2kcd n ILE 35 N -3.93 0.00 -2.41 2.25 5.41 -1.05 -4.82 119.36 114.81 2kcd n ILE 35 Ca -0.03 0.53 -0.35 0.00 1.00 0.00 0.00 62.75 63.90 2kcd n ILE 35 Cb 0.61 -1.09 -0.02 0.00 -0.71 0.00 0.00 39.64 38.42 2kcd n ILE 35 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2kcd s LEU 36 N -1.92 3.89 0.61 1.39 1.43 -0.01 -5.00 118.68 119.06 2kcd s LEU 36 Ca 0.00 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 2kcd s LEU 36 Cb 0.00 -4.46 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2kcd s LEU 36 CO 0.00 -0.90 1.20 -2.16 0.23 0.00 0.00 176.35 174.72 2kcd s PRO 37 N -3.05 2.90 0.10 1.29 0.04 -1.26 -4.57 135.00 130.45 2kcd s PRO 37 Ca 0.67 1.78 0.04 0.00 0.04 0.00 0.00 61.00 63.53 2kcd s PRO 37 Cb -0.22 -1.92 0.21 0.00 0.04 0.00 0.00 34.50 32.61 2kcd s PRO 37 CO 0.26 -1.25 0.93 -0.25 0.04 0.00 0.00 177.00 176.73 2kcd n ASP 38 N -1.73 0.10 0.07 6.66 8.00 -1.26 0.52 116.55 128.91 2kcd n ASP 38 Ca 0.13 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.87 2kcd n ASP 38 Cb 0.50 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 41.13 2kcd n ASP 38 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2kcd h GLN 39 N 0.00 0.15 -0.56 -1.24 4.20 -1.98 -3.30 115.11 112.38 2kcd h GLN 39 Ca 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2kcd h GLN 39 Cb 0.51 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2kcd h GLN 39 CO 0.00 1.07 0.00 0.66 -0.67 0.00 0.00 178.83 179.89 2kcd n TYR 40 N -3.42 0.74 -0.08 2.96 4.02 0.19 -4.07 117.16 117.50 2kcd n TYR 40 Ca -0.08 -0.49 -0.07 0.00 -0.01 0.00 0.00 57.90 57.25 2kcd n TYR 40 Cb 1.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 40.29 2kcd n TYR 40 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2kcd n VAL 41 N 1.17 1.41 -0.20 -0.72 0.31 -0.76 -3.40 118.33 116.13 2kcd n VAL 41 Ca 0.19 0.18 -0.09 0.00 -0.01 0.00 0.00 64.34 64.61 2kcd n VAL 41 Cb 0.54 -2.33 0.02 0.00 -0.91 0.00 0.00 33.84 31.16 2kcd n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2kcd h ARG 42 N -0.96 0.92 -0.45 5.55 3.08 -1.81 -2.73 114.38 117.99 2kcd h ARG 42 Ca 0.00 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 2kcd h ARG 42 Cb 0.80 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 2kcd h ARG 42 CO 0.00 0.88 0.15 1.25 -1.07 0.00 0.00 179.97 181.18 2kcd h LEU 43 N 0.82 0.65-10.12 3.04 6.46 -1.80 -3.43 115.31 110.93 2kcd h LEU 43 Ca 0.17 -0.20 -0.46 0.00 -0.12 0.00 0.00 57.88 57.27 2kcd h LEU 43 Cb 0.39 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2kcd h LEU 43 CO 0.01 0.67 0.37 -0.83 -0.62 0.00 0.00 178.44 178.04 2kcd s GLY 44 N -3.06 2.30 0.19 3.75 0.00 -1.10 -4.92 107.32 104.48 2kcd s GLY 44 Ca -0.13 0.40 0.19 0.00 0.00 0.00 0.00 44.72 45.18 2kcd s GLY 44 CO 0.77 0.69 1.59 -1.55 0.00 0.00 0.00 173.10 174.60 2kcd n PRO 45 N -1.18 0.13 -0.27 2.90 -0.04 -1.26 -2.65 135.00 132.62 2kcd n PRO 45 Ca 0.08 0.44 -0.06 0.00 -0.04 0.00 0.00 63.50 63.91 2kcd n PRO 45 Cb 0.53 -1.78 0.06 0.00 -0.04 0.00 0.00 33.50 32.27 2kcd n PRO 45 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kcd h LEU 46 N 0.00 1.00 0.00 1.53 3.38 -1.90 -3.46 115.31 115.86 2kcd h LEU 46 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2kcd h LEU 46 Cb 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kcd h LEU 46 CO 0.00 0.88 0.00 -1.20 0.09 0.00 0.00 178.44 178.21 2kcd n SER 47 N -4.37 0.00 -2.12 -0.43 7.64 -1.05 0.12 113.62 113.41 2kcd n SER 47 Ca 0.06 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.70 2kcd n SER 47 Cb 0.16 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.48 2kcd n SER 47 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kcd n ASN 48 N 3.12 5.15 -4.76 6.43 5.03 -1.26 -3.71 115.26 125.25 2kcd n ASN 48 Ca 0.00 -3.47 -0.40 0.00 0.87 0.00 0.00 54.58 51.58 2kcd n ASN 48 Cb 0.00 -0.88 -0.04 0.00 -1.02 0.00 0.00 39.78 37.84 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2kcd s LYS 49 N -3.03 4.54 -0.23 3.52 2.47 0.32 -4.76 119.74 122.56 2kcd s LYS 49 Ca 0.52 1.79 -0.25 0.00 -1.56 0.00 0.00 55.97 56.47 2kcd s LYS 49 Cb 0.42 -3.08 -0.00 0.00 -1.46 0.00 0.00 37.83 33.71 2kcd s LYS 49 CO 0.05 0.12 0.85 0.42 0.16 0.00 0.00 175.35 176.95 2kcd s ILE 50 N -1.23 4.83 -0.02 5.43 1.09 -1.26 -1.89 121.20 128.14 2kcd s ILE 50 Ca 0.47 1.61 0.08 0.00 -1.10 0.00 0.00 60.65 61.71 2kcd s ILE 50 Cb -0.31 -4.13 -0.02 0.00 -1.06 0.00 0.00 42.46 36.94 2kcd s ILE 50 CO 0.40 -0.07 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.16 2kcd s LEU 51 N 2.80 2.05 -0.21 2.97 1.43 -0.97 -4.97 118.68 121.78 2kcd s LEU 51 Ca 0.36 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2kcd s LEU 51 Cb -0.15 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2kcd s LEU 51 CO 0.08 0.30 1.54 -1.58 0.23 0.00 0.00 176.35 176.92 2kcd s GLN 52 N -0.55 3.89 -0.32 1.70 2.00 -1.02 -2.73 119.66 122.62 2kcd s GLN 52 Ca 0.08 1.66 -0.14 0.00 -2.00 0.00 0.00 55.36 54.97 2kcd s GLN 52 Cb -0.10 -3.98 -0.02 0.00 0.80 0.00 0.00 33.01 29.70 2kcd s GLN 52 CO -0.01 -1.17 0.29 0.99 -0.50 0.00 0.00 175.29 174.89 2kcd s THR 53 N 4.81 5.24 -0.44 -0.34 2.01 0.21 -1.55 115.64 125.59 2kcd s THR 53 Ca 0.68 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.63 2kcd s THR 53 Cb -0.24 -3.72 0.11 0.00 0.01 0.00 0.00 72.50 68.65 2kcd s THR 53 CO 0.27 0.02 0.27 0.20 -0.69 0.00 0.00 174.62 174.70 2kcd s ASN 54 N 1.73 5.52 -0.18 3.53 -0.87 -0.76 -1.75 114.94 122.16 2kcd s ASN 54 Ca 0.09 -1.85 -0.13 0.00 -1.57 0.00 0.00 52.86 49.40 2kcd s ASN 54 Cb -0.17 -1.94 -0.05 0.00 -0.02 0.00 0.00 41.25 39.08 2kcd s ASN 54 CO 0.11 -0.60 0.26 -0.89 -2.57 0.00 0.00 177.10 173.40 2kcd s THR 55 N 1.30 5.32 -0.24 1.60 2.01 -0.89 -2.11 115.64 122.63 2kcd s THR 55 Ca 0.06 0.46 -0.04 0.00 0.31 0.00 0.00 61.69 62.47 2kcd s THR 55 Cb -0.24 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 2kcd s THR 55 CO -0.01 0.39 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.98 2kcd s TYR 56 N 0.55 3.01 0.03 4.92 1.51 -0.75 -1.40 117.35 125.22 2kcd s TYR 56 Ca 0.14 -0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 55.23 2kcd s TYR 56 Cb -0.13 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.56 2kcd s TYR 56 CO 0.03 -0.55 -0.00 1.52 -1.11 0.00 0.00 175.55 175.43 2kcd s TYR 57 N 1.48 0.31 0.25 2.71 1.13 -1.05 -4.02 117.35 118.16 2kcd s TYR 57 Ca 0.05 -0.65 0.05 0.00 -1.41 0.00 0.00 57.07 55.11 2kcd s TYR 57 Cb -0.15 -0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 2kcd s TYR 57 CO -0.02 -0.27 0.18 0.45 -2.51 0.00 0.00 175.55 173.38 2kcd n SER 58 N 1.06 -0.10 -0.14 -0.18 2.88 -1.26 -2.36 113.62 113.53 2kcd n SER 58 Ca -0.20 -2.57 -0.09 0.00 -1.33 0.00 0.00 58.87 54.68 2kcd n SER 58 Cb 0.57 1.09 -0.01 0.00 -0.75 0.00 0.00 64.21 65.11 2kcd n SER 58 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2kcd h ASP 59 N 1.39 0.56 -0.26 -3.46 3.58 -1.99 -0.39 116.42 115.85 2kcd h ASP 59 Ca -0.18 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.08 2kcd h ASP 59 Cb 0.86 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2kcd h ASP 59 CO 0.27 0.57 0.08 0.74 -2.88 0.00 0.00 179.24 178.03 2kcd h THR 60 N 0.52 1.20 -0.69 2.25 2.02 -1.96 -1.54 112.91 114.71 2kcd h THR 60 Ca 0.14 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 2kcd h THR 60 Cb 0.19 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2kcd h THR 60 CO -0.01 0.21 0.36 -0.07 0.37 0.00 0.00 175.52 176.37 2kcd h LEU 61 N 0.26 0.88 -0.84 2.58 4.07 -1.83 -1.33 115.31 119.11 2kcd h LEU 61 Ca 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2kcd h LEU 61 Cb 0.25 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 2kcd h LEU 61 CO -0.00 0.74 0.54 -0.74 -1.08 0.00 0.00 178.44 177.90 2kcd h HIS 62 N 0.95 1.07 -0.54 1.13 2.76 -0.87 0.59 115.15 120.24 2kcd h HIS 62 Ca 0.24 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 2kcd h HIS 62 Cb 0.08 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.65 2kcd h HIS 62 CO 0.00 0.69 0.28 -0.22 -1.30 0.00 0.00 177.93 177.37 2kcd h LYS 63 N 1.14 0.77 0.00 5.26 3.64 -0.67 0.27 116.57 126.97 2kcd h LYS 63 Ca 0.30 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2kcd h LYS 63 Cb -0.10 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2kcd h LYS 63 CO -0.06 0.61 0.00 0.43 -2.27 0.00 0.00 179.45 178.16 2kcd n SER 64 N -4.60 0.00 -3.24 4.20 7.64 -0.56 -4.85 113.62 112.22 2kcd n SER 64 Ca 0.03 -0.87 -0.23 0.00 1.01 0.00 0.00 58.87 58.81 2kcd n SER 64 Cb 0.10 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.96 -5.92 -4.38 6.43 3.02 0.08 -4.45 115.26 109.08 2kcd n ASN 65 Ca 0.18 -0.38 -0.33 0.00 -0.03 0.00 0.00 54.58 54.01 2kcd n ASN 65 Cb 0.08 -4.75 -0.14 0.00 -0.61 0.00 0.00 39.78 34.36 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kcd s ILE 66 N -3.20 3.21 -0.47 2.41 -1.09 0.01 -2.00 121.20 120.07 2kcd s ILE 66 Ca 0.40 -0.60 0.03 0.00 -2.23 0.00 0.00 60.65 58.25 2kcd s ILE 66 Cb -0.18 -2.37 0.14 0.00 -1.58 0.00 0.00 42.46 38.47 2kcd s ILE 66 CO 0.49 0.51 0.27 -0.31 -1.23 0.00 0.00 174.94 174.67 2kcd s TYR 67 N 0.50 2.16 0.35 3.97 1.51 -0.96 -4.28 117.35 120.60 2kcd s TYR 67 Ca -0.08 -2.56 -0.25 0.00 -1.01 0.00 0.00 57.07 53.17 2kcd s TYR 67 Cb -0.15 -1.97 -0.10 0.00 -0.11 0.00 0.00 41.96 39.63 2kcd s TYR 67 CO 0.04 -0.76 0.98 -1.25 -1.11 0.00 0.00 175.55 173.45 2kcd s PRO 68 N 0.11 4.45 0.17 -1.71 0.04 -1.26 -2.59 135.00 134.21 2kcd s PRO 68 Ca 0.19 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 2kcd s PRO 68 Cb -0.20 -2.70 0.03 0.00 0.04 0.00 0.00 34.50 31.66 2kcd s PRO 68 CO -0.03 0.14 0.46 -0.59 0.04 0.00 0.00 177.00 177.02 2kcd s PHE 69 N -1.65 -0.10 0.05 0.56 -0.71 -0.71 -1.81 117.98 113.61 2kcd s PHE 69 Ca 0.53 -0.23 0.03 0.00 -1.04 0.00 0.00 56.93 56.22 2kcd s PHE 69 Cb -0.19 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 2kcd s PHE 69 CO 0.25 -0.82 -0.10 0.42 -1.34 0.00 0.00 175.22 173.63 2kcd s ILE 70 N -3.86 0.71 -0.17 -4.49 1.01 -0.90 -2.68 121.20 110.83 2kcd s ILE 70 Ca 0.08 -1.16 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 2kcd s ILE 70 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2kcd s ILE 70 CO -0.06 -0.34 0.05 -0.76 0.00 0.00 0.00 174.94 173.82 2kcd s LEU 71 N -1.65 3.74 -0.08 2.97 1.43 -0.88 -1.82 118.68 122.38 2kcd s LEU 71 Ca -0.07 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2kcd s LEU 71 Cb -0.10 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2kcd s LEU 71 CO 0.01 0.20 -0.17 -0.31 0.23 0.00 0.00 176.35 176.31 2kcd s TYR 72 N 0.22 1.92 -0.30 0.29 2.02 -0.60 -2.64 117.35 118.26 2kcd s TYR 72 Ca 0.03 -0.78 -0.11 0.00 -0.37 0.00 0.00 57.07 55.84 2kcd s TYR 72 Cb -0.12 -1.35 0.17 0.00 -0.40 0.00 0.00 41.96 40.26 2kcd s TYR 72 CO 0.01 -0.36 0.89 -0.47 -1.57 0.00 0.00 175.55 174.04 2kcd s TYR 73 N 0.62 -0.91 0.00 2.71 5.04 -1.10 -2.43 117.35 121.28 2kcd s TYR 73 Ca -0.14 1.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 2kcd s TYR 73 Cb -0.16 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.57 2kcd s TYR 73 CO 0.04 -0.47 0.00 1.04 -1.34 0.00 0.00 175.55 174.82 2kcd n GLN 74 N 5.26 0.00 0.00 4.97 6.02 -1.26 -2.55 117.38 129.83 2kcd n GLN 74 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2kcd n GLN 74 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 2kcd n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kcd n LYS 75 N 0.00 0.34 0.00 -1.09 4.76 -1.26 -4.89 118.16 116.02 2kcd n LYS 75 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2kcd n LYS 75 Cb 0.00 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 2kcd n LYS 75 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2kcd n GLN 76 N -0.29 0.00 -1.54 1.97 6.02 -1.06 -4.53 117.38 117.95 2kcd n GLN 76 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.52 2kcd n GLN 76 Cb 0.02 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.23 2kcd n GLN 76 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2kcd n LEU 77 N 0.00 2.81 -0.05 1.08 7.94 -1.26 -2.73 117.00 124.80 2kcd n LEU 77 Ca 0.00 0.41 -0.09 0.00 -1.11 0.00 0.00 56.01 55.22 2kcd n LEU 77 Cb 0.00 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 42.51 2kcd n LEU 77 CO 0.00 -0.61 -0.83 -0.38 -1.11 0.00 0.00 177.39 174.46 2kcd n ILE 78 N 7.13 0.54 -3.62 1.96 5.41 -1.08 -4.98 119.36 124.72 2kcd n ILE 78 Ca 0.34 -0.17 -0.14 0.00 1.00 0.00 0.00 62.75 63.78 2kcd n ILE 78 Cb 0.33 -1.27 -0.06 0.00 -0.71 0.00 0.00 39.64 37.93 2kcd n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kcd s ALA 79 N -2.19 -1.21 0.08 -1.39 0.00 -1.26 -1.28 121.76 114.52 2kcd s ALA 79 Ca -0.13 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.44 2kcd s ALA 79 Cb 0.04 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2kcd s ALA 79 CO 0.19 -0.43 -0.09 0.96 0.00 0.00 0.00 175.76 176.39 2kcd s ILE 80 N -2.06 0.83 -0.04 0.00 -4.36 -1.00 -2.08 121.20 112.48 2kcd s ILE 80 Ca -0.08 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.50 2kcd s ILE 80 Cb -0.01 -1.20 0.11 0.00 1.25 0.00 0.00 42.46 42.60 2kcd s ILE 80 CO 0.01 -0.53 1.32 -0.83 0.24 0.00 0.00 174.94 175.15 2kcd s GLY 81 N -2.26 -0.26 0.03 6.27 0.00 -1.09 -3.60 107.32 106.41 2kcd s GLY 81 Ca 0.02 0.34 -0.14 0.00 0.00 0.00 0.00 44.72 44.93 2kcd s GLY 81 CO -0.00 3.69 0.31 -0.11 0.00 0.00 0.00 173.10 176.98 2kcd s PHE 82 N -2.12 -0.13 -0.24 1.90 -0.71 -0.61 -1.74 117.98 114.33 2kcd s PHE 82 Ca 0.24 0.04 -0.08 0.00 -1.04 0.00 0.00 56.93 56.10 2kcd s PHE 82 Cb 0.02 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.90 2kcd s PHE 82 CO -0.03 -0.49 0.09 0.42 -1.34 0.00 0.00 175.22 173.88 2kcd s ILE 83 N -2.30 4.52 0.29 -4.49 1.01 -1.07 -1.40 121.20 117.77 2kcd s ILE 83 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2kcd s ILE 83 Cb -0.02 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 2kcd s ILE 83 CO -0.02 0.34 0.49 -0.62 0.00 0.00 0.00 174.94 175.13 2kcd s ASP 84 N 1.47 6.33 -0.70 3.58 2.15 0.86 -2.27 116.67 128.09 2kcd s ASP 84 Ca 0.06 0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.45 2kcd s ASP 84 Cb -0.15 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 2kcd s ASP 84 CO 0.05 -0.19 0.00 -0.62 -0.17 0.00 0.00 175.17 174.23 2kcd n GLU 85 N -1.38 -1.46 -3.35 4.34 -0.58 -0.85 -0.61 120.64 116.76 2kcd n GLU 85 Ca -0.05 0.46 -0.24 0.00 -0.42 0.00 0.00 57.16 56.91 2kcd n GLU 85 Cb 0.55 -4.40 0.04 0.00 -0.57 0.00 0.00 31.44 27.06 2kcd n GLU 85 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2kcd n ASN 86 N 0.30 -5.79 0.24 1.62 2.85 -1.02 -4.67 115.26 108.79 2kcd n ASN 86 Ca -0.07 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 53.97 2kcd n ASN 86 Cb 0.29 -4.64 0.00 0.00 1.24 0.00 0.00 39.78 36.67 2kcd n ASN 86 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2kcd n HIS 87 N -4.63 -4.75 -1.98 1.20 -0.00 0.22 -5.10 115.22 100.18 2kcd n HIS 87 Ca -0.05 1.63 -0.42 0.00 0.46 0.00 0.00 57.72 59.34 2kcd n HIS 87 Cb 0.58 4.04 -0.03 0.00 -0.12 0.00 0.00 29.99 34.47 2kcd n HIS 87 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 2kcd s ASP 88 N -2.00 6.64 -0.41 0.26 2.15 -0.86 -4.82 116.67 117.64 2kcd s ASP 88 Ca 0.00 2.49 -0.13 0.00 0.43 0.00 0.00 52.55 55.34 2kcd s ASP 88 Cb 0.00 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2kcd s ASP 88 CO 0.00 -0.82 0.27 -0.32 -0.17 0.00 0.00 175.17 174.14 2kcd s MET 89 N 1.77 2.88 -0.10 4.34 -2.45 -1.26 -0.10 119.30 124.37 2kcd s MET 89 Ca 0.70 -1.13 -0.03 0.00 -1.25 0.00 0.00 55.69 53.98 2kcd s MET 89 Cb -0.40 -3.89 -0.03 0.00 1.25 0.00 0.00 34.83 31.76 2kcd s MET 89 CO 0.31 -0.79 0.03 -0.51 1.05 0.00 0.00 175.02 175.11 2kcd s ASP 90 N 1.79 5.45 -0.08 1.11 1.01 -0.49 -5.00 116.67 120.46 2kcd s ASP 90 Ca 0.03 0.19 0.02 0.00 0.71 0.00 0.00 52.55 53.50 2kcd s ASP 90 Cb -0.20 -1.61 -0.02 0.00 1.01 0.00 0.00 42.92 42.10 2kcd s ASP 90 CO 0.08 0.37 -0.13 -0.36 0.21 0.00 0.00 175.17 175.34 2kcd s PHE 91 N -0.82 2.77 -0.06 4.23 0.08 -1.26 -1.57 117.98 121.35 2kcd s PHE 91 Ca 0.13 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 2kcd s PHE 91 Cb -0.12 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2kcd s PHE 91 CO 0.02 0.06 -0.11 -0.11 -0.10 0.00 0.00 175.22 174.99 2kcd n LEU 92 N 2.75 0.66 -4.20 -0.37 0.00 -1.24 -4.97 117.00 109.63 2kcd n LEU 92 Ca -0.18 0.18 -0.33 0.00 0.00 0.00 0.00 56.01 55.68 2kcd n LEU 92 Cb 0.52 -0.59 -0.16 0.00 0.00 0.00 0.00 43.42 43.19 2kcd n LEU 92 CO 0.28 -0.44 -0.53 -0.47 0.00 0.00 0.00 177.39 176.23 2kcd s TYR 93 N -1.61 2.69 -0.16 1.96 5.04 -1.26 -4.31 117.35 119.71 2kcd s TYR 93 Ca -0.09 -1.22 0.01 0.00 -2.44 0.00 0.00 57.07 53.33 2kcd s TYR 93 Cb 0.01 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.50 2kcd s TYR 93 CO 0.13 -0.55 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.43 2kcd s LEU 94 N 0.77 2.22 -0.27 6.97 2.96 -0.99 -2.38 118.68 127.95 2kcd s LEU 94 Ca -0.08 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 2kcd s LEU 94 Cb -0.16 -1.49 0.08 0.00 0.50 0.00 0.00 46.19 45.12 2kcd s LEU 94 CO -0.00 0.05 0.02 -2.28 -1.32 0.00 0.00 176.35 172.82 2kcd s HIS 95 N 0.97 2.30 0.89 5.38 5.65 -0.41 -3.48 115.29 126.59 2kcd s HIS 95 Ca -0.03 -1.88 -0.14 0.00 0.25 0.00 0.00 55.06 53.26 2kcd s HIS 95 Cb -0.15 -1.80 0.14 0.00 -1.18 0.00 0.00 32.58 29.59 2kcd s HIS 95 CO -0.05 -0.82 1.23 -0.80 -0.65 0.00 0.00 174.74 173.65 2kcd s ASN 96 N 1.42 3.76 0.33 9.88 0.02 -1.24 -4.36 114.94 124.76 2kcd s ASN 96 Ca 0.02 0.59 0.06 0.00 -1.02 0.00 0.00 52.86 52.51 2kcd s ASN 96 Cb -0.18 -0.90 0.59 0.00 0.02 0.00 0.00 41.25 40.77 2kcd s ASN 96 CO -0.12 -2.36 1.82 0.71 0.02 0.00 0.00 177.10 177.17 2kcd h THR 97 N -1.37 1.23 0.00 1.60 1.35 -1.99 -3.33 112.91 110.39 2kcd h THR 97 Ca -0.46 -1.02 -0.16 0.00 -0.55 0.00 0.00 66.41 64.22 2kcd h THR 97 Cb 1.29 1.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 2kcd h THR 97 CO 0.54 0.32 -1.15 0.52 -0.25 0.00 0.00 175.52 175.50 2kcd n VAL 98 N -4.20 1.49 -3.57 6.82 0.31 -1.26 -5.04 118.33 112.88 2kcd n VAL 98 Ca -0.00 0.03 -0.17 0.00 -0.01 0.00 0.00 64.34 64.19 2kcd n VAL 98 Cb 0.33 -2.17 -0.07 0.00 -0.91 0.00 0.00 33.84 31.02 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 -2.39 0.95 0.51 5.55 0.00 -1.25 -5.16 119.30 117.51 2kcd s MET 99 Ca -0.25 0.40 -0.21 0.00 0.00 0.00 0.00 55.69 55.62 2kcd s MET 99 Cb 0.06 0.45 -0.06 0.00 0.00 0.00 0.00 34.83 35.28 2kcd s MET 99 CO 0.43 -0.26 1.18 -1.25 0.00 0.00 0.00 175.02 175.13 2kcd s PRO 100 N -0.80 3.48 -0.17 3.16 0.04 -1.26 -3.64 135.00 135.81 2kcd s PRO 100 Ca -0.08 1.80 -0.05 0.00 0.04 0.00 0.00 61.00 62.71 2kcd s PRO 100 Cb -0.02 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2kcd s PRO 100 CO 0.07 -0.79 -0.19 1.28 0.04 0.00 0.00 177.00 177.41 2kcd n LEU 101 N -0.90 1.96 -4.25 -3.56 4.77 -1.23 -4.92 117.00 108.88 2kcd n LEU 101 Ca 0.10 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.89 2kcd n LEU 101 Cb 0.49 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 2kcd n LEU 101 CO 0.46 0.54 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.76 2kcd s LEU 102 N -6.53 2.08 -0.30 2.23 1.43 -1.26 -5.07 118.68 111.27 2kcd s LEU 102 Ca -0.23 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.33 2kcd s LEU 102 Cb 0.08 -1.11 0.18 0.00 0.03 0.00 0.00 46.19 45.37 2kcd s LEU 102 CO 0.33 0.24 0.89 1.51 0.23 0.00 0.00 176.35 179.56 2kcd s ASP 103 N -0.72 -0.79 -0.29 2.29 -4.77 -1.26 -2.36 116.67 108.77 2kcd s ASP 103 Ca 0.08 0.62 -0.07 0.00 -3.30 0.00 0.00 52.55 49.88 2kcd s ASP 103 Cb -0.09 1.71 0.00 0.00 -1.09 0.00 0.00 42.92 43.46 2kcd s ASP 103 CO -0.00 -0.15 0.09 -1.10 0.70 0.00 0.00 175.17 174.71 2kcd s GLN 104 N 2.82 3.19 0.27 2.11 -0.21 -1.26 -4.97 119.66 121.62 2kcd s GLN 104 Ca 0.05 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.63 2kcd s GLN 104 Cb -0.11 -3.40 0.38 0.00 1.00 0.00 0.00 33.01 30.88 2kcd s GLN 104 CO -0.16 -0.42 1.75 0.00 -2.12 0.00 0.00 175.29 174.35 2kcd h ARG 105 N 8.26 0.64 -0.30 2.91 3.08 -1.98 -2.80 114.38 124.19 2kcd h ARG 105 Ca -0.32 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 59.57 2kcd h ARG 105 Cb 1.13 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 2kcd h ARG 105 CO 0.60 0.74 0.05 1.88 -1.07 0.00 0.00 179.97 182.18 2kcd h TYR 106 N 0.59 0.08 -0.71 3.04 0.05 -1.96 0.38 116.97 118.45 2kcd h TYR 106 Ca 0.10 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.84 2kcd h TYR 106 Cb 0.54 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 2kcd h TYR 106 CO 0.02 0.01 0.18 -0.07 -1.05 0.00 0.00 178.16 177.25 2kcd h LEU 107 N 0.16 1.07 -0.22 3.88 4.07 -1.89 -2.09 115.31 120.28 2kcd h LEU 107 Ca 0.14 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.87 2kcd h LEU 107 Cb 0.16 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.62 2kcd h LEU 107 CO -0.20 1.02 -0.02 0.18 -1.08 0.00 0.00 178.44 178.34 2kcd n LEU 108 N -4.25 0.36 0.02 1.67 4.77 -0.84 -3.07 117.00 115.66 2kcd n LEU 108 Ca 0.05 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2kcd n LEU 108 Cb 0.25 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 2kcd n LEU 108 CO 0.42 0.06 -0.19 0.41 -1.33 0.00 0.00 177.39 176.76 2kcd n THR 109 N -0.81 0.16 -0.81 -5.08 -1.04 0.13 -5.06 114.28 101.76 2kcd n THR 109 Ca 0.20 -0.31 0.11 0.00 -2.04 0.00 0.00 64.05 62.01 2kcd n THR 109 Cb 0.20 0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 68.87 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kcd n GLY 110 N 1.34 -1.85 0.24 3.41 0.00 -1.08 -5.05 105.19 102.21 2kcd n GLY 110 Ca 0.00 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.04 -2.38 3.95 -0.02 0.00 -1.26 -4.94 105.19 97.50 2kcd n GLY 111 Ca -0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 2kcd n GLY 111 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kcd s GLN 112 N -2.67 2.96 -0.32 1.61 -2.07 -1.26 -5.01 119.66 112.89 2kcd s GLN 112 Ca 0.00 -0.40 -0.29 0.00 -1.82 0.00 0.00 55.36 52.85 2kcd s GLN 112 Cb 0.00 -2.48 0.02 0.00 -1.09 0.00 0.00 33.01 29.46 2kcd s GLN 112 CO 0.00 -0.44 1.06 -0.51 -1.32 0.00 0.00 175.29 174.08 2kcd s LEU 113 N -4.69 3.94 0.12 2.60 1.02 -1.26 -5.02 118.68 115.39 2kcd s LEU 113 Ca 0.51 1.02 -0.09 0.00 0.02 0.00 0.00 54.13 55.59 2kcd s LEU 113 Cb -0.10 -3.52 -0.06 0.00 0.02 0.00 0.00 46.19 42.53 2kcd s LEU 113 CO 0.40 -0.87 0.42 -0.70 0.02 0.00 0.00 176.35 175.62 2kcd s GLU 114 N 3.62 3.74 -0.08 1.70 2.12 -1.26 -5.09 118.70 123.46 2kcd s GLU 114 Ca 0.45 0.14 -0.01 0.00 0.36 0.00 0.00 54.97 55.91 2kcd s GLU 114 Cb -0.12 -2.91 0.03 0.00 0.26 0.00 0.00 34.13 31.39 2kcd s GLU 114 CO 0.15 0.50 -0.02 -3.38 -0.54 0.00 0.00 175.26 171.97 2kcd s HIS 115 N -1.53 0.87 0.52 5.30 -3.43 -1.26 -5.08 115.29 110.69 2kcd s HIS 115 Ca 0.37 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.33 2kcd s HIS 115 Cb -0.13 -0.89 0.00 0.00 -1.43 0.00 0.00 32.58 30.13 2kcd s HIS 115 CO 0.20 -0.36 0.00 1.58 -2.00 0.00 0.00 174.74 174.17 2kcd n HIS 116 N 4.97 -3.29 -3.14 0.38 -0.00 -1.26 -4.60 115.22 108.27 2kcd n HIS 116 Ca -0.10 1.82 -0.45 0.00 -0.00 0.00 0.00 57.72 58.98 2kcd n HIS 116 Cb 0.50 -2.97 -0.04 0.00 -0.00 0.00 0.00 29.99 27.48 2kcd n HIS 116 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcd s HIS 117 N -4.57 3.19 0.18 1.57 0.09 -1.26 -4.88 115.29 109.60 2kcd s HIS 117 Ca 0.00 -1.26 -0.10 0.00 -0.00 0.00 0.00 55.06 53.71 2kcd s HIS 117 Cb 0.00 -4.00 0.06 0.00 -0.00 0.00 0.00 32.58 28.64 2kcd s HIS 117 CO 0.00 -1.24 1.63 1.25 -0.00 0.00 0.00 174.74 176.38 2kcd h HIS 118 N 8.84 1.15 -4.03 1.40 6.17 -2.05 -3.42 115.15 123.20 2kcd h HIS 118 Ca -0.15 -0.20 -0.47 0.00 0.71 0.00 0.00 60.37 60.26 2kcd h HIS 118 Cb 1.07 -0.30 0.02 0.00 2.52 0.00 0.00 27.41 30.72 2kcd h HIS 118 CO 0.91 1.02 0.39 -1.01 0.71 0.00 0.00 177.93 179.95 2kcd s HIS 119 N -5.01 3.13 0.00 5.26 3.76 -1.26 -5.29 115.29 115.88 2kcd s HIS 119 Ca -0.12 1.61 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 2kcd s HIS 119 Cb 0.13 -3.05 0.00 0.00 1.11 0.00 0.00 32.58 30.77 2kcd s HIS 119 CO 0.85 -0.65 0.00 -2.39 -0.85 0.00 0.00 174.74 171.70