#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcd n THR 2 N 0.00 0.00 -0.27 2.03 -2.24 -1.26 -4.70 114.28 107.84 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 -0.48 0.05 0.00 -2.10 0.00 0.00 70.33 67.81 2kcd n THR 2 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2kcd h LEU 3 N 0.00 1.04 -1.07 3.22 5.85 -2.05 -2.36 115.31 119.94 2kcd h LEU 3 Ca -0.08 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2kcd h LEU 3 Cb 0.37 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 2kcd h LEU 3 CO 0.11 0.94 0.63 -0.33 -0.34 0.00 0.00 178.44 179.45 2kcd h GLU 4 N 1.07 1.14 -0.63 1.25 5.08 -1.99 0.32 114.58 120.82 2kcd h GLU 4 Ca 0.24 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2kcd h GLU 4 Cb 0.24 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2kcd h GLU 4 CO -0.02 0.76 0.16 -0.07 -1.00 0.00 0.00 179.01 178.84 2kcd h LEU 5 N 1.18 0.95 -0.12 1.33 -0.00 -1.81 0.28 115.31 117.11 2kcd h LEU 5 Ca 0.39 -0.23 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 2kcd h LEU 5 Cb 0.07 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.48 2kcd h LEU 5 CO -0.13 0.93 -0.04 1.56 -0.00 0.00 0.00 178.44 180.76 2kcd h GLN 6 N 0.92 0.24 -0.55 1.13 4.20 -0.91 -1.31 115.11 118.83 2kcd h GLN 6 Ca 0.20 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2kcd h GLN 6 Cb 0.34 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2kcd h GLN 6 CO 0.00 0.55 0.02 1.25 -0.67 0.00 0.00 178.83 179.98 2kcd h LEU 7 N -0.08 0.93 -0.36 1.46 5.85 -0.87 0.33 115.31 122.57 2kcd h LEU 7 Ca 0.03 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2kcd h LEU 7 Cb 0.46 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2kcd h LEU 7 CO 0.01 1.00 0.24 0.50 -0.34 0.00 0.00 178.44 179.85 2kcd h LYS 8 N 0.84 0.48 -0.31 1.25 3.64 -0.39 0.61 116.57 122.68 2kcd h LYS 8 Ca 0.16 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 2kcd h LYS 8 Cb 0.51 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2kcd h LYS 8 CO 0.02 0.32 -0.52 1.25 -2.27 0.00 0.00 179.45 178.26 2kcd h HIS 9 N 0.48 1.10 -0.06 1.91 2.76 -1.06 -2.06 115.15 118.22 2kcd h HIS 9 Ca 0.13 -0.38 -0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2kcd h HIS 9 Cb -0.05 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.70 2kcd h HIS 9 CO -0.05 1.21 0.03 -0.92 -1.30 0.00 0.00 177.93 176.90 2kcd h TYR 10 N 0.69 0.08 -0.41 5.26 3.20 0.00 0.37 116.97 126.15 2kcd h TYR 10 Ca 0.02 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2kcd h TYR 10 Cb 1.12 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 2kcd h TYR 10 CO 0.07 0.17 0.11 0.82 -1.64 0.00 0.00 178.16 177.69 2kcd h ILE 11 N -0.03 1.22 -0.15 1.81 2.04 -0.92 0.38 117.51 121.86 2kcd h ILE 11 Ca 0.02 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 2kcd h ILE 11 Cb 0.12 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2kcd h ILE 11 CO -0.00 0.27 -0.07 0.71 0.00 0.00 0.00 178.15 179.06 2kcd h THR 12 N 0.53 1.31 -0.47 -0.27 1.35 -1.26 -1.91 112.91 112.19 2kcd h THR 12 Ca 0.13 -1.09 -0.13 0.00 -0.55 0.00 0.00 66.41 64.77 2kcd h THR 12 Cb 0.29 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 2kcd h THR 12 CO -0.00 0.32 -0.21 -1.13 -0.25 0.00 0.00 175.52 174.25 2kcd h ASN 13 N -0.01 0.97 -0.47 5.36 -0.73 -0.23 2.53 115.58 123.01 2kcd h ASN 13 Ca 0.04 -0.36 -0.01 0.00 1.87 0.00 0.00 56.30 57.83 2kcd h ASN 13 Cb 0.53 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 2kcd h ASN 13 CO 0.02 1.14 0.24 0.25 -0.37 0.00 0.00 177.43 178.71 2kcd h LEU 14 N 0.83 0.60 -1.51 0.34 5.85 -0.20 -2.88 115.31 118.34 2kcd h LEU 14 Ca 0.11 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kcd h LEU 14 Cb 0.77 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2kcd h LEU 14 CO 0.06 0.54 -0.18 0.49 -0.34 0.00 0.00 178.44 179.02 2kcd n PHE 15 N -4.65 0.00 -3.68 1.25 3.72 -0.72 -4.96 117.46 108.42 2kcd n PHE 15 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 2kcd n PHE 15 Cb 0.10 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.73 -5.66 -4.88 4.37 5.03 0.83 -4.98 115.26 110.70 2kcd n ASN 16 Ca 0.11 -0.61 -0.32 0.00 0.87 0.00 0.00 54.58 54.63 2kcd n ASN 16 Cb 0.51 -4.71 -0.05 0.00 -1.02 0.00 0.00 39.78 34.51 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 -7.25 4.24 -0.11 3.41 1.43 0.24 -4.97 118.68 115.66 2kcd s LEU 17 Ca 0.57 0.75 -0.38 0.00 -1.03 0.00 0.00 54.13 54.04 2kcd s LEU 17 Cb -0.26 -3.42 -0.15 0.00 0.03 0.00 0.00 46.19 42.39 2kcd s LEU 17 CO 0.76 0.02 1.63 -2.65 0.23 0.00 0.00 176.35 176.34 2kcd n PRO 18 N 0.11 1.38 -0.03 1.29 -0.02 -1.26 -4.73 135.00 131.73 2kcd n PRO 18 Ca -0.02 0.50 -0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2kcd n PRO 18 Cb 0.52 -2.20 -0.14 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.56 0.66 0.00 -0.52 1.85 -1.26 -4.07 116.66 117.88 2kcd n ARG 19 Ca 0.23 0.01 0.16 0.00 -1.00 0.00 0.00 57.85 57.24 2kcd n ARG 19 Cb 0.18 -1.62 0.88 0.00 -1.05 0.00 0.00 32.46 30.86 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kcd n ASP 20 N -2.64 0.22 -4.79 2.89 8.00 -1.26 -4.86 116.55 114.11 2kcd n ASP 20 Ca -0.16 -1.06 -0.33 0.00 0.71 0.00 0.00 54.79 53.95 2kcd n ASP 20 Cb 0.87 -0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.99 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2kcd s GLU 21 N -2.01 3.15 0.10 -1.24 2.56 -1.26 -4.97 118.70 115.03 2kcd s GLU 21 Ca 0.46 1.25 -0.31 0.00 0.00 0.00 0.00 54.97 56.38 2kcd s GLU 21 Cb 0.22 -2.01 -0.07 0.00 2.00 0.00 0.00 34.13 34.27 2kcd s GLU 21 CO 0.37 -0.96 1.30 0.15 -0.56 0.00 0.00 175.26 175.56 2kcd s LYS 22 N -4.11 4.38 -0.08 4.30 1.02 -1.26 -5.01 119.74 118.96 2kcd s LYS 22 Ca 0.64 1.95 -0.01 0.00 0.02 0.00 0.00 55.97 58.57 2kcd s LYS 22 Cb -0.17 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 2kcd s LYS 22 CO 0.39 -0.34 -0.03 -0.46 -0.92 0.00 0.00 175.35 173.99 2kcd s TRP 23 N 0.96 3.05 -0.22 3.18 -0.11 -1.26 -4.65 118.94 119.90 2kcd s TRP 23 Ca 0.61 0.09 -0.04 0.00 1.22 0.00 0.00 56.10 57.98 2kcd s TRP 23 Cb -0.34 -1.77 -0.01 0.00 -1.50 0.00 0.00 33.47 29.85 2kcd s TRP 23 CO 0.31 0.37 -0.04 -2.00 -4.62 0.00 0.00 176.95 170.97 2kcd s GLU 24 N -0.76 3.40 -0.02 5.86 2.56 -1.01 -5.00 118.70 123.73 2kcd s GLU 24 Ca 0.12 -0.62 -0.15 0.00 0.00 0.00 0.00 54.97 54.32 2kcd s GLU 24 Cb -0.11 -3.00 -0.05 0.00 2.00 0.00 0.00 34.13 32.96 2kcd s GLU 24 CO 0.02 -0.17 0.42 0.00 -0.56 0.00 0.00 175.26 174.97 2kcd s GLU 26 N -0.81 0.53 -0.21 0.00 2.12 -0.90 -5.00 118.70 114.43 2kcd s GLU 26 Ca 0.24 -0.23 -0.09 0.00 0.36 0.00 0.00 54.97 55.25 2kcd s GLU 26 Cb -0.16 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 2kcd s GLU 26 CO 0.13 -0.56 0.11 -1.12 -0.54 0.00 0.00 175.26 173.28 2kcd s SER 27 N 1.94 5.85 0.11 -1.70 0.01 -1.26 -1.87 113.70 116.78 2kcd s SER 27 Ca 0.01 0.10 -0.09 0.00 1.31 0.00 0.00 55.95 57.28 2kcd s SER 27 Cb -0.16 -2.03 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 2kcd s SER 27 CO -0.07 0.12 0.21 0.27 0.41 0.00 0.00 173.24 174.18 2kcd s ILE 28 N 0.69 0.12 -0.20 1.44 -0.00 -0.61 -5.01 121.20 117.63 2kcd s ILE 28 Ca 0.06 -1.25 -0.08 0.00 -0.00 0.00 0.00 60.65 59.37 2kcd s ILE 28 Cb -0.13 -1.49 -0.04 0.00 -0.00 0.00 0.00 42.46 40.80 2kcd s ILE 28 CO 0.01 -0.55 0.09 -1.61 -0.00 0.00 0.00 174.94 172.88 2kcd s GLU 29 N -3.89 3.98 0.03 0.37 2.02 -1.26 -0.69 118.70 119.26 2kcd s GLU 29 Ca 0.09 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 2kcd s GLU 29 Cb 0.05 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2kcd s GLU 29 CO -0.08 0.18 0.05 -1.21 0.02 0.00 0.00 175.26 174.23 2kcd s GLU 30 N 0.64 0.52 0.14 1.61 2.02 -1.12 -4.95 118.70 117.56 2kcd s GLU 30 Ca 0.05 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 2kcd s GLU 30 Cb -0.13 0.20 -0.07 0.00 0.10 0.00 0.00 34.13 34.23 2kcd s GLU 30 CO 0.01 -0.12 1.15 0.08 0.02 0.00 0.00 175.26 176.40 2kcd s VAL 31 N -2.48 3.87 0.16 2.63 1.01 -1.26 -2.40 120.40 121.92 2kcd s VAL 31 Ca -0.06 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 2kcd s VAL 31 Cb -0.02 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.43 2kcd s VAL 31 CO -0.04 0.21 1.77 0.00 0.00 0.00 0.00 175.10 177.04 2kcd h ALA 32 N 5.68 0.62 0.00 5.51 0.00 -1.70 -1.55 119.26 127.81 2kcd h ALA 32 Ca -0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kcd h ALA 32 Cb 1.21 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kcd h ALA 32 CO 0.75 0.13 0.24 -3.47 0.00 0.00 0.00 179.25 176.90 2kcd n ASP 33 N -4.68 0.12 -0.08 0.00 2.03 -1.01 0.20 116.55 113.14 2kcd n ASP 33 Ca 0.02 0.39 -0.16 0.00 0.52 0.00 0.00 54.79 55.56 2kcd n ASP 33 Cb 0.08 -0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 39.97 2kcd n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kcd n ASP 34 N -1.56 1.40 -0.55 1.67 -0.08 -0.59 -4.39 116.55 112.45 2kcd n ASP 34 Ca -0.00 0.03 0.08 0.00 -1.51 0.00 0.00 54.79 53.39 2kcd n ASP 34 Cb 0.24 -0.12 0.04 0.00 2.34 0.00 0.00 41.12 43.62 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2kcd n ILE 35 N -3.16 0.00 -3.71 5.18 -5.35 0.43 -4.77 119.36 107.98 2kcd n ILE 35 Ca -0.37 -0.42 -0.30 0.00 -0.27 0.00 0.00 62.75 61.39 2kcd n ILE 35 Cb 1.05 1.28 -0.13 0.00 -1.74 0.00 0.00 39.64 40.10 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 -1.71 2.57 0.82 7.28 1.43 0.54 -5.07 118.68 124.54 2kcd s LEU 36 Ca 0.17 -2.41 -0.14 0.00 -1.03 0.00 0.00 54.13 50.72 2kcd s LEU 36 Cb 0.14 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.38 2kcd s LEU 36 CO 0.30 -0.30 0.59 -2.65 0.23 0.00 0.00 176.35 174.52 2kcd n PRO 37 N 3.83 0.07 0.00 1.29 -0.02 -1.26 -4.36 135.00 134.54 2kcd n PRO 37 Ca 0.07 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2kcd n PRO 37 Cb 0.36 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kcd n ASP 38 N -1.12 0.00 0.16 2.55 8.00 -1.26 -1.00 116.55 123.88 2kcd n ASP 38 Ca 0.09 0.26 0.08 0.00 0.71 0.00 0.00 54.79 55.93 2kcd n ASP 38 Cb 0.51 -0.26 0.58 0.00 -0.02 0.00 0.00 41.12 41.94 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 0.16 -0.61 -1.24 1.08 -2.00 -3.15 115.11 109.35 2kcd h GLN 39 Ca 0.00 -0.01 -0.28 0.00 -1.45 0.00 0.00 58.65 56.91 2kcd h GLN 39 Cb 0.41 -0.04 -0.40 0.00 -0.05 0.00 0.00 27.48 27.41 2kcd h GLN 39 CO 0.00 0.11 -1.14 0.66 -0.95 0.00 0.00 178.83 177.51 2kcd n TYR 40 N -4.51 1.27 0.08 2.96 4.01 -0.17 -4.90 117.16 115.89 2kcd n TYR 40 Ca 0.00 -2.34 0.00 0.00 -0.16 0.00 0.00 57.90 55.41 2kcd n TYR 40 Cb 0.13 -0.27 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 2kcd n TYR 40 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2kcd n VAL 41 N -0.45 0.00 0.00 -0.72 0.31 -1.19 -4.95 118.33 111.33 2kcd n VAL 41 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2kcd n VAL 41 Cb 0.81 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 -2.93 0.00 -0.05 5.55 1.74 -1.22 -0.36 116.66 119.39 2kcd n ARG 42 Ca 0.00 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2kcd n ARG 42 Cb 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.57 2kcd n ARG 42 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2kcd n LEU 43 N 0.00 3.03 -4.10 0.55 -0.00 -1.26 -4.78 117.00 110.44 2kcd n LEU 43 Ca 0.00 -1.15 -0.30 0.00 -0.00 0.00 0.00 56.01 54.56 2kcd n LEU 43 Cb 0.00 -0.07 0.11 0.00 -0.00 0.00 0.00 43.42 43.46 2kcd n LEU 43 CO 0.00 0.56 -0.94 0.61 -0.00 0.00 0.00 177.39 177.62 2kcd n GLY 44 N 1.31 -2.57 0.13 1.47 0.00 0.52 -4.75 105.19 101.30 2kcd n GLY 44 Ca 0.15 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2kcd n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kcd n PRO 45 N -0.27 0.19 -0.11 1.61 -0.04 -1.26 -2.29 135.00 132.82 2kcd n PRO 45 Ca 0.01 0.42 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 2kcd n PRO 45 Cb 0.58 -1.86 0.11 0.00 -0.04 0.00 0.00 33.50 32.28 2kcd n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcd n LEU 46 N -2.21 1.18 0.00 1.53 4.77 -1.26 -4.31 117.00 116.70 2kcd n LEU 46 Ca 0.02 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2kcd n LEU 46 Cb 0.22 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kcd n LEU 46 CO 0.19 0.29 0.00 -1.54 -1.33 0.00 0.00 177.39 175.00 2kcd n SER 47 N 0.14 0.00 -1.49 -1.43 3.41 -0.97 -3.80 113.62 109.48 2kcd n SER 47 Ca 0.08 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.73 2kcd n SER 47 Cb 0.19 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.41 2kcd n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kcd n ASN 48 N 0.00 4.28 -4.76 4.04 5.03 -1.26 -2.40 115.26 120.19 2kcd n ASN 48 Ca 0.00 -2.66 -0.41 0.00 0.87 0.00 0.00 54.58 52.38 2kcd n ASN 48 Cb 0.00 -0.63 -0.03 0.00 -1.02 0.00 0.00 39.78 38.09 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 -2.23 4.50 -0.24 3.52 2.20 -1.25 -4.81 119.74 121.43 2kcd s LYS 49 Ca 0.38 2.00 -0.23 0.00 -0.36 0.00 0.00 55.97 57.76 2kcd s LYS 49 Cb 0.29 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2kcd s LYS 49 CO 0.11 0.01 0.75 0.42 -0.36 0.00 0.00 175.35 176.27 2kcd s ILE 50 N -1.04 4.90 0.00 5.43 1.09 -1.26 -2.67 121.20 127.65 2kcd s ILE 50 Ca 0.47 1.39 0.04 0.00 -1.10 0.00 0.00 60.65 61.46 2kcd s ILE 50 Cb -0.36 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 36.97 2kcd s ILE 50 CO 0.46 -0.03 -0.10 -0.76 -0.10 0.00 0.00 174.94 174.41 2kcd s LEU 51 N 2.68 3.02 -0.72 2.97 1.43 -1.01 -4.96 118.68 122.09 2kcd s LEU 51 Ca 0.31 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.95 2kcd s LEU 51 Cb -0.15 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.35 2kcd s LEU 51 CO 0.08 0.29 1.49 -1.10 0.23 0.00 0.00 176.35 177.34 2kcd s GLN 52 N -1.33 3.02 0.49 1.70 -0.21 -0.88 -2.78 119.66 119.67 2kcd s GLN 52 Ca 0.16 -0.03 -0.13 0.00 0.02 0.00 0.00 55.36 55.38 2kcd s GLN 52 Cb -0.11 -4.35 -0.07 0.00 1.00 0.00 0.00 33.01 29.49 2kcd s GLN 52 CO 0.06 -2.38 0.91 0.99 -2.12 0.00 0.00 175.29 172.75 2kcd s THR 53 N 6.88 4.66 -0.34 -0.19 2.01 0.14 -1.63 115.64 127.17 2kcd s THR 53 Ca 0.47 0.93 0.00 0.00 0.31 0.00 0.00 61.69 63.40 2kcd s THR 53 Cb -0.09 -3.75 0.14 0.00 0.01 0.00 0.00 72.50 68.81 2kcd s THR 53 CO 0.15 -0.69 0.24 0.21 -0.69 0.00 0.00 174.62 173.84 2kcd s ASN 54 N -3.27 2.52 0.05 3.53 2.47 -0.59 -1.57 114.94 118.08 2kcd s ASN 54 Ca 0.55 -1.78 -0.19 0.00 0.42 0.00 0.00 52.86 51.86 2kcd s ASN 54 Cb -0.10 -0.08 -0.06 0.00 -1.45 0.00 0.00 41.25 39.55 2kcd s ASN 54 CO 0.34 -0.32 0.55 -0.89 -3.72 0.00 0.00 177.10 173.06 2kcd s THR 55 N 1.43 4.81 -0.13 -5.21 2.01 -0.78 -2.23 115.64 115.53 2kcd s THR 55 Ca 0.16 1.17 -0.04 0.00 0.31 0.00 0.00 61.69 63.28 2kcd s THR 55 Cb -0.19 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2kcd s THR 55 CO -0.09 0.53 0.03 -0.31 -0.69 0.00 0.00 174.62 174.09 2kcd s TYR 56 N -0.93 3.20 -0.11 4.92 1.51 -0.70 -2.11 117.35 123.12 2kcd s TYR 56 Ca 0.29 0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.47 2kcd s TYR 56 Cb -0.19 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.74 2kcd s TYR 56 CO 0.18 0.30 -0.23 0.71 -1.11 0.00 0.00 175.55 175.40 2kcd s TYR 57 N -0.26 2.53 0.12 2.71 2.02 -0.69 -4.40 117.35 119.39 2kcd s TYR 57 Ca 0.07 -1.12 0.01 0.00 -0.37 0.00 0.00 57.07 55.65 2kcd s TYR 57 Cb -0.12 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 2kcd s TYR 57 CO 0.02 -0.48 -0.02 -1.12 -1.57 0.00 0.00 175.55 172.38 2kcd s SER 58 N 0.53 0.93 0.16 2.29 0.01 -1.26 -2.39 113.70 113.96 2kcd s SER 58 Ca -0.15 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 55.89 2kcd s SER 58 Cb -0.17 0.15 0.06 0.00 0.21 0.00 0.00 66.02 66.27 2kcd s SER 58 CO 0.05 -0.56 1.75 0.44 0.41 0.00 0.00 173.24 175.33 2kcd h ASP 59 N 2.89 0.69 -0.07 2.44 3.32 -2.00 -2.20 116.42 121.50 2kcd h ASP 59 Ca -0.35 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 56.46 2kcd h ASP 59 Cb 1.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 2kcd h ASP 59 CO 0.63 0.62 -0.32 0.00 -1.72 0.00 0.00 179.24 178.46 2kcd h THR 60 N 0.72 1.28 -0.70 0.35 1.03 -1.95 -2.80 112.91 110.83 2kcd h THR 60 Ca 0.18 -1.42 -0.03 0.00 -0.01 0.00 0.00 66.41 65.14 2kcd h THR 60 Cb 0.10 1.43 -0.03 0.00 -1.07 0.00 0.00 68.15 68.58 2kcd h THR 60 CO -0.02 0.45 0.32 -0.07 -0.01 0.00 0.00 175.52 176.18 2kcd h LEU 61 N 0.47 0.94 -0.64 0.00 3.38 -1.77 -1.03 115.31 116.66 2kcd h LEU 61 Ca 0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2kcd h LEU 61 Cb 0.78 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2kcd h LEU 61 CO 0.06 0.83 0.17 0.45 0.09 0.00 0.00 178.44 180.04 2kcd h HIS 62 N 0.99 1.07 -0.45 1.13 3.86 -1.27 0.31 115.15 120.79 2kcd h HIS 62 Ca 0.24 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 2kcd h HIS 62 Cb 0.16 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 2kcd h HIS 62 CO 0.01 0.89 0.19 -0.22 0.86 0.00 0.00 177.93 179.66 2kcd h LYS 63 N 0.95 0.67 -0.00 2.45 3.64 -1.21 -1.76 116.57 121.32 2kcd h LYS 63 Ca 0.20 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2kcd h LYS 63 Cb 0.34 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2kcd h LYS 63 CO -0.00 0.60 -0.00 0.43 -2.27 0.00 0.00 179.45 178.21 2kcd n SER 64 N -4.61 0.00 -3.22 4.20 7.64 -0.43 -4.89 113.62 112.31 2kcd n SER 64 Ca 0.01 -0.11 -0.23 0.00 1.01 0.00 0.00 58.87 59.55 2kcd n SER 64 Cb 0.14 -0.30 0.05 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.30 -6.19 -4.46 6.43 5.03 0.91 -4.27 115.26 111.41 2kcd n ASN 65 Ca 0.14 -0.39 -0.33 0.00 0.87 0.00 0.00 54.58 54.86 2kcd n ASN 65 Cb 0.25 -4.92 -0.13 0.00 -1.02 0.00 0.00 39.78 33.96 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 -3.24 3.64 -0.48 2.41 1.01 -0.12 -3.93 121.20 120.49 2kcd s ILE 66 Ca 0.42 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.66 2kcd s ILE 66 Cb -0.19 -2.57 0.13 0.00 0.01 0.00 0.00 42.46 39.84 2kcd s ILE 66 CO 0.52 0.51 0.23 -0.31 0.00 0.00 0.00 174.94 175.89 2kcd s TYR 67 N 0.31 2.90 0.25 3.97 2.02 -0.98 -4.56 117.35 121.26 2kcd s TYR 67 Ca -0.06 -2.94 -0.24 0.00 -0.37 0.00 0.00 57.07 53.47 2kcd s TYR 67 Cb -0.15 -2.57 -0.09 0.00 -0.40 0.00 0.00 41.96 38.75 2kcd s TYR 67 CO 0.04 -0.77 0.84 -1.25 -1.57 0.00 0.00 175.55 172.83 2kcd s PRO 68 N 0.03 4.49 0.07 -1.71 0.04 -1.26 -2.35 135.00 134.31 2kcd s PRO 68 Ca 0.16 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.18 2kcd s PRO 68 Cb -0.25 -2.95 0.04 0.00 0.04 0.00 0.00 34.50 31.38 2kcd s PRO 68 CO -0.01 0.39 0.41 -0.59 0.04 0.00 0.00 177.00 177.23 2kcd s PHE 69 N -1.46 -0.24 0.03 0.56 -0.12 -0.93 -1.73 117.98 114.09 2kcd s PHE 69 Ca 0.44 0.10 0.06 0.00 -0.05 0.00 0.00 56.93 57.49 2kcd s PHE 69 Cb -0.19 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2kcd s PHE 69 CO 0.24 -0.62 -0.18 0.42 -0.05 0.00 0.00 175.22 175.03 2kcd s ILE 70 N -2.94 1.46 -0.19 -4.49 1.01 -0.94 -2.74 121.20 112.37 2kcd s ILE 70 Ca -0.02 -1.07 -0.08 0.00 0.00 0.00 0.00 60.65 59.48 2kcd s ILE 70 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2kcd s ILE 70 CO -0.06 0.18 0.07 -0.76 0.00 0.00 0.00 174.94 174.36 2kcd s LEU 71 N -1.05 3.82 0.10 2.97 1.43 -0.76 -1.54 118.68 123.64 2kcd s LEU 71 Ca 0.06 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 2kcd s LEU 71 Cb -0.08 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2kcd s LEU 71 CO 0.01 0.17 -0.20 -0.31 0.23 0.00 0.00 176.35 176.25 2kcd s TYR 72 N 0.42 1.72 -0.14 0.29 2.02 -0.64 -2.18 117.35 118.84 2kcd s TYR 72 Ca 0.03 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2kcd s TYR 72 Cb -0.12 -0.95 0.05 0.00 -0.40 0.00 0.00 41.96 40.54 2kcd s TYR 72 CO 0.00 0.18 0.04 -0.47 -1.57 0.00 0.00 175.55 173.74 2kcd s TYR 73 N -1.16 0.61 0.00 2.71 5.04 -1.03 -2.06 117.35 121.45 2kcd s TYR 73 Ca 0.05 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.28 2kcd s TYR 73 Cb -0.10 -0.82 0.00 0.00 0.35 0.00 0.00 41.96 41.39 2kcd s TYR 73 CO 0.04 -0.46 0.00 1.04 -1.34 0.00 0.00 175.55 174.83 2kcd n GLN 74 N 5.16 0.00 -2.72 4.97 6.02 -1.26 -2.20 117.38 127.36 2kcd n GLN 74 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.84 2kcd n GLN 74 Cb 0.49 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.83 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 0.82 -3.64 -1.09 4.81 -1.26 -5.13 118.16 112.67 2kcd n LYS 75 Ca 0.00 -1.68 -0.03 0.00 -0.87 0.00 0.00 58.31 55.73 2kcd n LYS 75 Cb 0.00 -0.97 -0.07 0.00 0.02 0.00 0.00 35.03 34.02 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 0.32 0.32 0.21 1.64 -0.44 -0.93 -5.14 119.66 115.64 2kcd s GLN 76 Ca 0.24 0.49 -0.30 0.00 -2.50 0.00 0.00 55.36 53.28 2kcd s GLN 76 Cb 0.28 0.09 -0.10 0.00 -1.64 0.00 0.00 33.01 31.64 2kcd s GLN 76 CO -0.11 -0.06 1.45 -1.17 0.50 0.00 0.00 175.29 175.90 2kcd s LEU 77 N 0.93 4.38 -0.21 3.68 2.96 -1.26 -2.48 118.68 126.68 2kcd s LEU 77 Ca -0.05 2.60 -0.13 0.00 -0.22 0.00 0.00 54.13 56.34 2kcd s LEU 77 Cb -0.04 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 2kcd s LEU 77 CO -0.12 -0.71 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.52 2kcd n ILE 78 N 2.84 1.33 -3.60 6.68 2.08 -0.92 -4.87 119.36 122.89 2kcd n ILE 78 Ca 0.09 -0.22 -0.06 0.00 0.56 0.00 0.00 62.75 63.12 2kcd n ILE 78 Cb 0.40 -1.91 -0.02 0.00 -0.75 0.00 0.00 39.64 37.37 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 -2.50 -1.83 -0.08 -1.39 0.00 -1.25 -0.66 121.76 114.06 2kcd s ALA 79 Ca -0.31 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.42 2kcd s ALA 79 Cb 0.11 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.67 2kcd s ALA 79 CO 0.40 -0.83 -0.14 0.42 0.00 0.00 0.00 175.76 175.61 2kcd s ILE 80 N -3.05 1.34 -0.02 0.00 1.01 -0.16 -1.83 121.20 118.48 2kcd s ILE 80 Ca 0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 2kcd s ILE 80 Cb -0.01 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.26 2kcd s ILE 80 CO -0.05 0.40 0.08 -0.83 0.00 0.00 0.00 174.94 174.55 2kcd s GLY 81 N 0.73 -0.02 0.02 6.18 0.00 -1.11 -3.50 107.32 109.63 2kcd s GLY 81 Ca -0.13 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.72 2kcd s GLY 81 CO 0.03 0.07 -0.04 -0.11 0.00 0.00 0.00 173.10 173.05 2kcd s PHE 82 N -0.28 0.37 -0.22 1.90 -0.12 -1.06 -2.20 117.98 116.38 2kcd s PHE 82 Ca -0.03 -0.47 -0.10 0.00 -0.05 0.00 0.00 56.93 56.28 2kcd s PHE 82 Cb -0.02 -0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.07 2kcd s PHE 82 CO 0.00 -0.14 0.13 0.42 -0.05 0.00 0.00 175.22 175.58 2kcd s ILE 83 N -1.30 5.24 0.72 -4.49 1.01 -0.99 -1.88 121.20 119.51 2kcd s ILE 83 Ca -0.13 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.60 2kcd s ILE 83 Cb -0.09 -3.41 0.15 0.00 0.01 0.00 0.00 42.46 39.12 2kcd s ILE 83 CO -0.00 0.40 0.98 -0.90 0.00 0.00 0.00 174.94 175.42 2kcd n ASP 84 N 3.89 0.77 -0.09 3.58 5.68 -1.25 -2.31 116.55 126.83 2kcd n ASP 84 Ca -0.16 -1.78 -0.02 0.00 -0.50 0.00 0.00 54.79 52.34 2kcd n ASP 84 Cb 0.52 -0.69 0.23 0.00 -1.14 0.00 0.00 41.12 40.04 2kcd n ASP 84 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2kcd h GLU 85 N 0.00 0.74 -0.99 0.11 4.81 -1.74 -1.80 114.58 115.71 2kcd h GLU 85 Ca -0.32 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2kcd h GLU 85 Cb 1.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2kcd h GLU 85 CO 0.29 0.68 0.00 0.27 -0.73 0.00 0.00 179.01 179.52 2kcd n ASN 86 N -4.29 1.67 -3.36 1.04 0.23 -1.26 -4.88 115.26 104.41 2kcd n ASN 86 Ca 0.03 -1.91 -0.27 0.00 -0.53 0.00 0.00 54.58 51.90 2kcd n ASN 86 Cb 0.22 -0.48 0.03 0.00 -2.08 0.00 0.00 39.78 37.47 2kcd n ASN 86 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kcd n HIS 87 N 0.21 -2.20 -3.32 -2.53 1.44 -0.68 -4.99 115.22 103.16 2kcd n HIS 87 Ca 0.00 0.92 -0.08 0.00 -2.01 0.00 0.00 57.72 56.55 2kcd n HIS 87 Cb 0.33 -1.86 -0.07 0.00 0.12 0.00 0.00 29.99 28.51 2kcd n HIS 87 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2kcd s ASP 88 N -1.46 0.18 -0.57 4.39 -1.08 -1.26 -4.93 116.67 111.95 2kcd s ASP 88 Ca 0.28 0.08 -0.26 0.00 -0.52 0.00 0.00 52.55 52.13 2kcd s ASP 88 Cb -0.03 1.18 -0.08 0.00 -1.46 0.00 0.00 42.92 42.53 2kcd s ASP 88 CO 0.67 -0.31 2.37 -0.04 0.52 0.00 0.00 175.17 178.38 2kcd s MET 89 N 2.57 2.02 -0.30 4.34 -1.94 -1.26 -3.75 119.30 120.98 2kcd s MET 89 Ca 0.12 1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 55.11 2kcd s MET 89 Cb -0.14 -4.62 -0.03 0.00 2.01 0.00 0.00 34.83 32.04 2kcd s MET 89 CO -0.21 -3.50 0.34 -0.51 -0.01 0.00 0.00 175.02 171.13 2kcd s ASP 90 N 11.67 6.18 -0.33 3.03 1.01 -0.79 -4.91 116.67 132.54 2kcd s ASP 90 Ca 0.94 0.03 -0.10 0.00 0.71 0.00 0.00 52.55 54.13 2kcd s ASP 90 Cb -0.16 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.58 2kcd s ASP 90 CO 0.22 -0.22 0.17 -0.36 0.21 0.00 0.00 175.17 175.18 2kcd s PHE 91 N 1.99 3.19 -1.26 4.23 0.08 -1.26 -2.56 117.98 122.39 2kcd s PHE 91 Ca 0.12 -0.64 0.23 0.00 0.12 0.00 0.00 56.93 56.76 2kcd s PHE 91 Cb -0.16 -2.38 0.21 0.00 -0.57 0.00 0.00 43.02 40.12 2kcd s PHE 91 CO 0.11 -0.49 1.21 1.47 -0.10 0.00 0.00 175.22 177.42 2kcd n LEU 92 N 4.99 0.97 -3.61 -0.37 -0.00 -1.23 -4.82 117.00 112.93 2kcd n LEU 92 Ca -0.13 -0.32 -0.11 0.00 -0.00 0.00 0.00 56.01 55.45 2kcd n LEU 92 Cb 0.48 -0.11 -0.11 0.00 -0.00 0.00 0.00 43.42 43.69 2kcd n LEU 92 CO 0.34 0.21 -0.05 -0.47 -0.00 0.00 0.00 177.39 177.43 2kcd s TYR 93 N -2.85 -0.65 -0.12 1.47 5.04 -1.26 -3.58 117.35 115.40 2kcd s TYR 93 Ca 0.13 1.20 -0.00 0.00 -2.44 0.00 0.00 57.07 55.96 2kcd s TYR 93 Cb 0.17 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.63 2kcd s TYR 93 CO 0.71 -0.47 -0.09 -1.17 -1.34 0.00 0.00 175.55 173.19 2kcd s LEU 94 N 2.53 1.32 -0.14 6.97 2.96 -1.26 -0.99 118.68 130.06 2kcd s LEU 94 Ca 0.01 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2kcd s LEU 94 Cb -0.13 -0.92 0.03 0.00 0.50 0.00 0.00 46.19 45.67 2kcd s LEU 94 CO -0.12 -0.10 -0.09 -2.28 -1.32 0.00 0.00 176.35 172.45 2kcd s HIS 95 N 1.60 1.80 -0.11 5.38 5.65 0.17 -2.95 115.29 126.84 2kcd s HIS 95 Ca 0.04 -1.03 -0.10 0.00 0.25 0.00 0.00 55.06 54.21 2kcd s HIS 95 Cb -0.13 -1.38 -0.05 0.00 -1.18 0.00 0.00 32.58 29.84 2kcd s HIS 95 CO -0.08 -0.60 0.23 -0.80 -0.65 0.00 0.00 174.74 172.84 2kcd s ASN 96 N 1.60 6.48 0.41 9.88 0.01 -1.26 -4.46 114.94 127.61 2kcd s ASN 96 Ca 0.03 0.57 0.09 0.00 -0.71 0.00 0.00 52.86 52.84 2kcd s ASN 96 Cb -0.14 -2.14 0.48 0.00 0.41 0.00 0.00 41.25 39.86 2kcd s ASN 96 CO -0.09 0.31 1.14 0.71 -1.51 0.00 0.00 177.10 177.66 2kcd h THR 97 N 4.12 0.00 0.00 1.60 1.35 -1.95 -3.00 112.91 115.03 2kcd h THR 97 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2kcd h THR 97 Cb 1.21 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2kcd h THR 97 CO 0.64 0.00 0.00 0.52 -0.25 0.00 0.00 175.52 176.43 2kcd n VAL 98 N -2.10 0.00 -3.71 6.82 0.31 -1.26 -5.02 118.33 113.36 2kcd n VAL 98 Ca -0.01 0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.16 2kcd n VAL 98 Cb 0.57 -1.04 -0.17 0.00 -0.91 0.00 0.00 33.84 32.29 2kcd n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kcd s MET 99 N -0.14 0.36 0.29 5.55 0.00 -1.13 -5.13 119.30 119.10 2kcd s MET 99 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 55.69 55.43 2kcd s MET 99 Cb 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 34.83 33.43 2kcd s MET 99 CO 0.00 -0.45 1.14 -2.30 0.00 0.00 0.00 175.02 173.41 2kcd n PRO 100 N 5.19 1.63 -0.06 3.16 -0.02 -1.26 -4.34 135.00 139.30 2kcd n PRO 100 Ca -0.07 0.57 -0.05 0.00 -2.02 0.00 0.00 63.50 61.93 2kcd n PRO 100 Cb 0.49 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 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 1.23 1.39 0.00 2.45 4.77 -1.22 -4.88 117.00 120.74 2kcd n LEU 101 Ca 0.09 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2kcd n LEU 101 Cb 0.33 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2kcd n LEU 101 CO 0.61 -0.39 0.00 -0.11 -1.33 0.00 0.00 177.39 176.17 2kcd n LEU 102 N -3.96 1.02 -3.29 2.23 0.00 -1.25 -4.97 117.00 106.77 2kcd n LEU 102 Ca -0.08 0.17 -0.26 0.00 0.00 0.00 0.00 56.01 55.83 2kcd n LEU 102 Cb 0.32 -0.25 0.02 0.00 0.00 0.00 0.00 43.42 43.50 2kcd n LEU 102 CO 0.13 -0.25 -0.22 -0.90 0.00 0.00 0.00 177.39 176.15 2kcd n ASP 103 N -1.49 -4.10 -4.35 1.96 5.75 -1.15 -4.82 116.55 108.35 2kcd n ASP 103 Ca 0.00 -0.47 -0.38 0.00 -0.01 0.00 0.00 54.79 53.93 2kcd n ASP 103 Cb 0.00 -1.27 -0.12 0.00 -1.03 0.00 0.00 41.12 38.69 2kcd n ASP 103 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kcd s GLN 104 N -3.21 3.08 0.16 0.11 -0.21 -1.23 -4.92 119.66 113.44 2kcd s GLN 104 Ca 0.15 -0.87 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 2kcd s GLN 104 Cb -0.02 -3.42 0.03 0.00 1.00 0.00 0.00 33.01 30.61 2kcd s GLN 104 CO 0.71 -0.47 1.48 -0.09 -2.12 0.00 0.00 175.29 174.81 2kcd h ARG 105 N 8.26 0.76 -0.56 2.91 2.43 -1.90 -2.81 114.38 123.46 2kcd h ARG 105 Ca -0.31 -0.44 0.06 0.00 -0.81 0.00 0.00 59.98 58.48 2kcd h ARG 105 Cb 1.13 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 2kcd h ARG 105 CO 0.61 1.07 0.28 1.88 -1.51 0.00 0.00 179.97 182.29 2kcd h TYR 106 N 0.60 0.51 -0.63 2.20 0.05 -1.93 0.42 116.97 118.19 2kcd h TYR 106 Ca 0.03 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2kcd h TYR 106 Cb 1.05 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 2kcd h TYR 106 CO 0.06 0.23 0.27 1.25 -1.05 0.00 0.00 178.16 178.91 2kcd h LEU 107 N 0.53 0.86 -0.56 3.88 7.12 -1.74 1.69 115.31 127.08 2kcd h LEU 107 Ca 0.26 -0.16 -0.04 0.00 0.13 0.00 0.00 57.88 58.07 2kcd h LEU 107 Cb 0.19 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2kcd h LEU 107 CO -0.19 0.78 0.21 0.25 -0.13 0.00 0.00 178.44 179.35 2kcd h LEU 108 N 0.88 0.79 -1.84 2.25 7.12 -1.01 -2.41 115.31 121.08 2kcd h LEU 108 Ca 0.21 -0.18 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2kcd h LEU 108 Cb 0.18 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 2kcd h LEU 108 CO -0.02 0.76 0.00 0.35 -0.13 0.00 0.00 178.44 179.40 2kcd n THR 109 N -4.48 0.33 0.00 1.05 -2.24 0.04 -4.73 114.28 104.25 2kcd n THR 109 Ca 0.03 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2kcd n THR 109 Cb 0.18 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcd n GLY 110 N 1.36 0.15 3.59 3.38 0.00 0.57 -4.86 105.19 109.39 2kcd n GLY 110 Ca 0.18 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.57 1.14 0.00 -0.02 0.00 -1.18 -4.35 107.32 101.34 2kcd s GLY 111 Ca 0.00 -0.64 0.21 0.00 0.00 0.00 0.00 44.72 44.28 2kcd s GLY 111 CO 0.00 2.55 1.45 0.61 0.00 0.00 0.00 173.10 177.70 2kcd n GLN 112 N 8.27 2.36 -3.43 2.90 10.64 -1.26 -4.94 117.38 131.91 2kcd n GLN 112 Ca 0.11 -2.08 -0.17 0.00 -1.83 0.00 0.00 57.00 53.02 2kcd n GLN 112 Cb 0.49 -1.48 0.09 0.00 -0.86 0.00 0.00 30.24 28.48 2kcd n GLN 112 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2kcd n LEU 113 N 1.23 -4.05 -4.75 2.61 4.77 -1.26 -4.94 117.00 110.61 2kcd n LEU 113 Ca 0.20 -0.63 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 2kcd n LEU 113 Cb 0.52 -3.12 -0.04 0.00 -2.33 0.00 0.00 43.42 38.45 2kcd n LEU 113 CO 0.14 0.38 0.84 -0.70 -1.33 0.00 0.00 177.39 176.72 2kcd s GLU 114 N -5.36 4.57 -0.43 3.23 2.56 -1.26 -5.00 118.70 117.01 2kcd s GLU 114 Ca 0.01 1.86 -0.09 0.00 0.00 0.00 0.00 54.97 56.75 2kcd s GLU 114 Cb -0.00 -3.20 0.08 0.00 2.00 0.00 0.00 34.13 33.01 2kcd s GLU 114 CO 0.73 0.08 0.27 -1.58 -0.56 0.00 0.00 175.26 174.20 2kcd s HIS 115 N -0.79 3.34 -0.13 5.30 5.65 -1.26 -5.04 115.29 122.36 2kcd s HIS 115 Ca 0.48 -1.54 -0.01 0.00 0.25 0.00 0.00 55.06 54.24 2kcd s HIS 115 Cb -0.33 -3.01 0.04 0.00 -1.18 0.00 0.00 32.58 28.10 2kcd s HIS 115 CO 0.41 -0.86 -0.02 -1.58 -0.65 0.00 0.00 174.74 172.04 2kcd s HIS 116 N 1.43 1.17 -0.21 3.88 2.46 -1.26 -5.08 115.29 117.67 2kcd s HIS 116 Ca 0.03 -0.67 -0.20 0.00 0.47 0.00 0.00 55.06 54.70 2kcd s HIS 116 Cb -0.23 -1.07 0.06 0.00 -0.13 0.00 0.00 32.58 31.21 2kcd s HIS 116 CO 0.02 -0.50 0.57 -1.58 -2.47 0.00 0.00 174.74 170.78 2kcd s HIS 117 N 1.81 -0.64 -0.40 3.88 2.46 -1.26 -4.86 115.29 116.28 2kcd s HIS 117 Ca 0.02 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2kcd s HIS 117 Cb -0.14 0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.53 2kcd s HIS 117 CO -0.07 -0.31 0.00 -2.39 -2.47 0.00 0.00 174.74 169.50 2kcd n HIS 118 N 2.83 -0.59 -3.22 3.88 1.44 -1.26 -4.84 115.22 113.46 2kcd n HIS 118 Ca -0.14 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.18 2kcd n HIS 118 Cb 0.56 -1.41 -0.06 0.00 0.12 0.00 0.00 29.99 29.20 2kcd n HIS 118 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcd s HIS 119 N -1.14 3.42 0.00 -1.40 5.04 -1.26 -5.36 115.29 114.59 2kcd s HIS 119 Ca 0.00 0.86 0.00 0.00 -1.54 0.00 0.00 55.06 54.38 2kcd s HIS 119 Cb 0.00 -2.68 0.00 0.00 0.04 0.00 0.00 32.58 29.94 2kcd s HIS 119 CO 0.00 -0.04 0.00 1.58 -2.34 0.00 0.00 174.74 173.94