#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 -0.26 2.03 -2.24 -1.26 -1.03 114.28 111.52 2kcd n THR 2 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2kcd n THR 2 Cb 0.00 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.28 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 0.00 1.03 -0.91 3.22 3.38 -2.05 -2.13 115.31 117.85 2kcd h LEU 3 Ca 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kcd h LEU 3 Cb 0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 2kcd h LEU 3 CO 0.00 0.96 0.60 -0.08 0.09 0.00 0.00 178.44 180.00 2kcd h GLU 4 N 1.05 1.16 -0.52 1.13 4.81 -1.51 0.34 114.58 121.05 2kcd h GLU 4 Ca 0.23 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2kcd h GLU 4 Cb 0.28 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2kcd h GLU 4 CO -0.01 0.77 0.14 -0.07 -0.73 0.00 0.00 179.01 179.11 2kcd h LEU 5 N 1.20 0.77 -0.77 1.64 3.38 -1.64 -1.63 115.31 118.26 2kcd h LEU 5 Ca 0.34 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2kcd h LEU 5 Cb -0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2kcd h LEU 5 CO -0.09 0.79 -0.26 1.56 0.09 0.00 0.00 178.44 180.54 2kcd h GLN 6 N 0.71 0.65 -0.64 1.13 4.20 -0.72 -2.63 115.11 117.81 2kcd h GLN 6 Ca 0.16 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 2kcd h GLN 6 Cb 0.31 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2kcd h GLN 6 CO -0.00 0.84 0.24 1.25 -0.67 0.00 0.00 178.83 180.49 2kcd h LEU 7 N 0.56 0.91 -0.46 1.46 5.85 0.03 0.15 115.31 123.80 2kcd h LEU 7 Ca 0.08 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2kcd h LEU 7 Cb 0.73 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2kcd h LEU 7 CO 0.06 0.84 0.20 0.50 -0.34 0.00 0.00 178.44 179.70 2kcd h LYS 8 N 0.91 0.68 -0.51 1.25 3.64 -1.12 0.48 116.57 121.91 2kcd h LYS 8 Ca 0.21 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2kcd h LYS 8 Cb 0.24 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2kcd h LYS 8 CO -0.01 0.61 -0.04 0.45 -2.27 0.00 0.00 179.45 178.18 2kcd h HIS 9 N 0.61 1.02 -0.03 1.91 3.86 -1.17 -0.19 115.15 121.15 2kcd h HIS 9 Ca 0.16 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2kcd h HIS 9 Cb 0.16 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2kcd h HIS 9 CO -0.00 0.96 0.01 -0.92 0.86 0.00 0.00 177.93 178.84 2kcd h TYR 10 N 0.79 0.05 -0.35 2.45 3.20 -0.42 0.43 116.97 123.12 2kcd h TYR 10 Ca 0.14 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 2kcd h TYR 10 Cb 0.58 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2kcd h TYR 10 CO 0.04 0.21 0.05 0.82 -1.64 0.00 0.00 178.16 177.65 2kcd h ILE 11 N -0.12 1.24 -0.52 1.81 2.04 -0.87 -1.68 117.51 119.41 2kcd h ILE 11 Ca 0.01 -0.84 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 2kcd h ILE 11 Cb 0.18 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2kcd h ILE 11 CO -0.00 0.28 -0.14 0.71 0.00 0.00 0.00 178.15 179.00 2kcd h THR 12 N 0.42 1.27 -0.59 -0.27 1.35 -0.97 -2.32 112.91 111.80 2kcd h THR 12 Ca 0.11 -1.30 -0.06 0.00 -0.55 0.00 0.00 66.41 64.60 2kcd h THR 12 Cb 0.36 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2kcd h THR 12 CO 0.01 0.46 0.15 0.78 -0.25 0.00 0.00 175.52 176.66 2kcd h ASN 13 N 0.89 0.89 -0.51 5.36 2.35 -0.01 2.04 115.58 126.60 2kcd h ASN 13 Ca 0.13 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 2kcd h ASN 13 Cb 0.72 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2kcd h ASN 13 CO 0.05 0.89 0.04 0.25 -1.65 0.00 0.00 177.43 177.01 2kcd h LEU 14 N 0.84 0.84 -2.86 1.61 5.85 -1.21 -2.88 115.31 117.51 2kcd h LEU 14 Ca 0.18 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2kcd h LEU 14 Cb 0.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2kcd h LEU 14 CO 0.00 0.92 0.00 0.49 -0.34 0.00 0.00 178.44 179.51 2kcd n PHE 15 N -4.35 1.04 -4.17 1.25 3.72 -0.88 -4.95 117.46 109.11 2kcd n PHE 15 Ca 0.01 -0.53 -0.29 0.00 -0.05 0.00 0.00 57.45 56.59 2kcd n PHE 15 Cb 0.29 -0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 2kcd n PHE 15 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2kcd n ASN 16 N 1.38 0.35 -4.89 4.37 0.23 0.65 -4.92 115.26 112.43 2kcd n ASN 16 Ca 0.23 -1.16 -0.32 0.00 -0.53 0.00 0.00 54.58 52.80 2kcd n ASN 16 Cb 0.67 -2.21 -0.05 0.00 -2.08 0.00 0.00 39.78 36.11 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kcd s LEU 17 N -7.21 4.28 0.22 -4.53 1.43 0.10 -4.98 118.68 107.99 2kcd s LEU 17 Ca 0.02 0.65 -0.32 0.00 -1.03 0.00 0.00 54.13 53.45 2kcd s LEU 17 Cb -0.01 -3.24 -0.12 0.00 0.03 0.00 0.00 46.19 42.85 2kcd s LEU 17 CO 0.95 0.08 1.70 -0.81 0.23 0.00 0.00 176.35 178.51 2kcd n PRO 18 N 0.28 2.76 0.02 1.29 -0.04 -1.26 -4.72 135.00 133.33 2kcd n PRO 18 Ca -0.04 0.99 0.11 0.00 -0.04 0.00 0.00 63.50 64.53 2kcd n PRO 18 Cb 0.52 -2.83 0.10 0.00 -0.04 0.00 0.00 33.50 31.24 2kcd n PRO 18 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kcd n ARG 19 N 3.69 0.14 -0.03 0.54 1.74 -1.26 -3.82 116.66 117.65 2kcd n ARG 19 Ca 0.15 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.33 2kcd n ARG 19 Cb 0.35 -1.55 0.48 0.00 -1.02 0.00 0.00 32.46 30.71 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2kcd n ASP 20 N -1.74 0.67 -4.50 0.55 5.75 -1.26 -4.72 116.55 111.30 2kcd n ASP 20 Ca 0.04 -1.54 -0.38 0.00 -0.01 0.00 0.00 54.79 52.89 2kcd n ASP 20 Cb 0.38 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2kcd s GLU 21 N -1.92 3.57 0.09 0.11 2.12 -1.25 -5.07 118.70 116.36 2kcd s GLU 21 Ca 0.30 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.77 2kcd s GLU 21 Cb 0.15 -3.59 -0.06 0.00 0.26 0.00 0.00 34.13 30.89 2kcd s GLU 21 CO 0.23 -0.32 0.91 0.21 -0.54 0.00 0.00 175.26 175.75 2kcd s LYS 22 N 1.67 4.64 0.62 4.30 2.20 -1.26 -5.05 119.74 126.86 2kcd s LYS 22 Ca 0.06 1.35 0.07 0.00 -0.36 0.00 0.00 55.97 57.09 2kcd s LYS 22 Cb -0.17 -3.37 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 2kcd s LYS 22 CO 0.08 0.23 0.86 -1.58 -0.36 0.00 0.00 175.35 174.58 2kcd s TRP 23 N 0.00 1.29 -0.25 4.03 0.51 -1.26 -5.01 118.94 118.26 2kcd s TRP 23 Ca 0.45 -0.66 -0.05 0.00 -2.12 0.00 0.00 56.10 53.72 2kcd s TRP 23 Cb -0.23 -2.38 -0.00 0.00 -0.81 0.00 0.00 33.47 30.05 2kcd s TRP 23 CO 0.28 -1.36 0.01 -1.21 -0.51 0.00 0.00 176.95 174.15 2kcd s GLU 24 N -4.81 3.26 0.40 4.98 0.41 -1.04 -4.95 118.70 116.96 2kcd s GLU 24 Ca 0.64 -0.72 -0.21 0.00 -0.41 0.00 0.00 54.97 54.26 2kcd s GLU 24 Cb -0.05 -3.15 -0.11 0.00 -1.78 0.00 0.00 34.13 29.04 2kcd s GLU 24 CO 0.41 -0.30 0.93 0.00 -0.49 0.00 0.00 175.26 175.81 2kcd s GLU 26 N -2.97 0.60 -0.23 0.00 2.12 -0.29 -4.97 118.70 112.96 2kcd s GLU 26 Ca 0.59 -0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.29 2kcd s GLU 26 Cb -0.11 -2.00 -0.05 0.00 0.26 0.00 0.00 34.13 32.23 2kcd s GLU 26 CO 0.15 -0.73 0.17 0.45 -0.54 0.00 0.00 175.26 174.76 2kcd s SER 27 N 1.85 6.14 -0.04 -1.70 0.15 -1.26 -2.24 113.70 116.60 2kcd s SER 27 Ca 0.02 0.15 -0.26 0.00 0.70 0.00 0.00 55.95 56.55 2kcd s SER 27 Cb -0.17 -2.11 0.06 0.00 -1.71 0.00 0.00 66.02 62.09 2kcd s SER 27 CO -0.13 0.07 0.57 -0.51 1.20 0.00 0.00 173.24 174.43 2kcd s ILE 28 N 0.99 0.02 -0.21 6.45 2.07 -0.86 -5.03 121.20 124.63 2kcd s ILE 28 Ca 0.08 -0.15 -0.18 0.00 -1.41 0.00 0.00 60.65 58.99 2kcd s ILE 28 Cb -0.13 -0.89 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 2kcd s ILE 28 CO 0.04 -0.08 0.52 -1.61 -1.91 0.00 0.00 174.94 171.90 2kcd s GLU 29 N -1.26 4.17 0.04 3.50 8.01 -1.26 -1.11 118.70 130.79 2kcd s GLU 29 Ca -0.12 0.40 0.01 0.00 0.01 0.00 0.00 54.97 55.27 2kcd s GLU 29 Cb -0.02 -3.58 -0.02 0.00 -4.31 0.00 0.00 34.13 26.20 2kcd s GLU 29 CO 0.08 -0.18 -0.05 -1.21 0.01 0.00 0.00 175.26 173.91 2kcd s GLU 30 N 1.75 0.45 0.38 1.61 0.41 -1.11 -4.95 118.70 117.25 2kcd s GLU 30 Ca 0.24 -0.76 -0.25 0.00 -0.41 0.00 0.00 54.97 53.78 2kcd s GLU 30 Cb -0.15 -0.06 -0.09 0.00 -1.78 0.00 0.00 34.13 32.04 2kcd s GLU 30 CO 0.09 -0.01 1.11 0.08 -0.49 0.00 0.00 175.26 176.04 2kcd s VAL 31 N -1.75 3.45 0.29 2.63 1.01 -1.26 -1.79 120.40 122.98 2kcd s VAL 31 Ca -0.10 1.20 -0.02 0.00 0.00 0.00 0.00 61.98 63.06 2kcd s VAL 31 Cb -0.08 -3.66 0.24 0.00 0.00 0.00 0.00 36.38 32.88 2kcd s VAL 31 CO -0.01 0.09 1.94 0.00 0.00 0.00 0.00 175.10 177.12 2kcd h ALA 32 N 2.73 1.37 0.00 5.51 0.00 -1.72 -0.52 119.26 126.64 2kcd h ALA 32 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kcd h ALA 32 Cb 1.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2kcd h ALA 32 CO 0.63 0.55 0.00 -0.25 0.00 0.00 0.00 179.25 180.18 2kcd n ASP 33 N -4.39 0.40 -0.62 0.00 8.00 -1.26 0.15 116.55 118.84 2kcd n ASP 33 Ca 0.08 0.58 0.13 0.00 0.71 0.00 0.00 54.79 56.29 2kcd n ASP 33 Cb 0.06 -0.67 0.34 0.00 -0.02 0.00 0.00 41.12 40.83 2kcd n ASP 33 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2kcd n ASP 34 N -1.92 1.98 0.00 -2.24 8.00 -0.21 -4.56 116.55 117.60 2kcd n ASP 34 Ca 0.04 -1.61 0.00 0.00 0.71 0.00 0.00 54.79 53.93 2kcd n ASP 34 Cb 0.26 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 2kcd n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kcd n ILE 35 N 0.48 0.00 -2.96 0.53 3.06 -0.89 -4.95 119.36 114.63 2kcd n ILE 35 Ca 0.16 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.00 2kcd n ILE 35 Cb 0.44 -0.47 -0.05 0.00 0.54 0.00 0.00 39.64 40.10 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 -4.77 4.16 0.44 9.51 1.43 0.41 -5.01 118.68 124.85 2kcd s LEU 36 Ca 0.00 1.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.94 2kcd s LEU 36 Cb 0.00 -3.13 -0.11 0.00 0.03 0.00 0.00 46.19 42.99 2kcd s LEU 36 CO 0.00 -0.36 0.83 -2.65 0.23 0.00 0.00 176.35 174.40 2kcd n PRO 37 N 5.18 1.01 -0.14 1.29 -0.02 -1.26 -4.34 135.00 136.72 2kcd n PRO 37 Ca 0.03 0.37 0.27 0.00 -2.02 0.00 0.00 63.50 62.15 2kcd n PRO 37 Cb 0.49 -1.85 0.72 0.00 -0.02 0.00 0.00 33.50 32.84 2kcd n PRO 37 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kcd h ASP 38 N 1.17 0.00 -0.49 2.55 3.58 -1.93 0.28 116.42 121.57 2kcd h ASP 38 Ca -0.43 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 56.96 2kcd h ASP 38 Cb 1.36 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 2kcd h ASP 38 CO 0.54 0.00 0.11 -0.61 -2.88 0.00 0.00 179.24 176.40 2kcd h GLN 39 N 0.00 0.86 -0.17 0.28 4.15 -2.02 -2.10 115.11 116.11 2kcd h GLN 39 Ca 0.40 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2kcd h GLN 39 Cb 1.64 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.21 2kcd h GLN 39 CO -0.00 0.79 0.00 0.66 -1.93 0.00 0.00 178.83 178.35 2kcd n TYR 40 N -4.25 0.21 0.20 3.99 4.01 0.93 -3.71 117.16 118.53 2kcd n TYR 40 Ca 0.04 -0.10 0.05 0.00 -0.16 0.00 0.00 57.90 57.72 2kcd n TYR 40 Cb 0.25 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.35 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 0.59 0.38 0.34 -0.72 0.31 -0.83 -4.53 118.33 113.86 2kcd n VAL 41 Ca 0.17 -0.69 0.22 0.00 -0.01 0.00 0.00 64.34 64.03 2kcd n VAL 41 Cb 0.40 0.94 1.16 0.00 -0.91 0.00 0.00 33.84 35.44 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 1.90 0.00 0.00 5.55 3.08 -1.54 -3.34 114.38 120.03 2kcd h ARG 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kcd h ARG 42 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2kcd h ARG 42 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2kcd n LEU 43 N -3.04 0.00 0.00 3.04 7.99 -1.26 -5.01 117.00 118.72 2kcd n LEU 43 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.97 2kcd n LEU 43 Cb 0.11 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2kcd n LEU 43 CO 0.19 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.68 2kcd n GLY 44 N 0.00 -0.95 0.40 -0.72 0.00 -1.26 -4.95 105.19 97.72 2kcd n GLY 44 Ca 0.00 0.43 0.19 0.00 0.00 0.00 0.00 46.02 46.64 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 0.37 -0.00 1.61 0.11 -1.95 0.77 132.00 132.91 2kcd h PRO 45 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2kcd h PRO 45 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 2kcd h PRO 45 CO 0.00 0.24 -0.39 1.28 -0.21 0.00 0.00 178.00 178.93 2kcd n LEU 46 N -4.49 0.44 -4.75 2.35 4.77 -1.26 -4.59 117.00 109.47 2kcd n LEU 46 Ca 0.19 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 2kcd n LEU 46 Cb 0.70 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2kcd n LEU 46 CO 0.31 0.11 0.94 -0.55 -1.33 0.00 0.00 177.39 176.87 2kcd s SER 47 N -2.96 6.94 0.00 -1.43 0.15 0.27 -2.77 113.70 113.91 2kcd s SER 47 Ca 0.13 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.20 2kcd s SER 47 Cb 0.18 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2kcd s SER 47 CO 0.65 -0.46 0.00 0.59 1.20 0.00 0.00 173.24 175.23 2kcd n ASN 48 N 2.03 -2.03 -4.77 5.45 3.02 -1.26 -4.88 115.26 112.81 2kcd n ASN 48 Ca 0.04 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.19 2kcd n ASN 48 Cb 0.43 -2.08 -0.06 0.00 -0.61 0.00 0.00 39.78 37.46 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2kcd s LYS 49 N -1.00 4.55 -0.32 3.52 2.20 -1.11 -4.84 119.74 122.73 2kcd s LYS 49 Ca 0.00 1.13 -0.25 0.00 -0.36 0.00 0.00 55.97 56.49 2kcd s LYS 49 Cb 0.00 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2kcd s LYS 49 CO 0.00 0.54 0.88 0.42 -0.36 0.00 0.00 175.35 176.82 2kcd s ILE 50 N -1.00 4.70 -0.09 5.43 1.09 -1.26 -2.37 121.20 127.70 2kcd s ILE 50 Ca 0.36 1.32 -0.02 0.00 -1.10 0.00 0.00 60.65 61.21 2kcd s ILE 50 Cb -0.23 -4.24 -0.03 0.00 -1.06 0.00 0.00 42.46 36.90 2kcd s ILE 50 CO 0.26 -0.35 -0.01 -0.76 -0.10 0.00 0.00 174.94 173.98 2kcd s LEU 51 N 3.19 3.49 -0.58 2.97 1.02 -0.74 -4.93 118.68 123.10 2kcd s LEU 51 Ca 0.36 0.10 -0.27 0.00 0.02 0.00 0.00 54.13 54.34 2kcd s LEU 51 Cb -0.13 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.28 2kcd s LEU 51 CO 0.14 0.35 1.62 -1.58 0.02 0.00 0.00 176.35 176.91 2kcd s GLN 52 N -0.74 3.00 0.14 1.70 0.74 0.19 -2.73 119.66 121.96 2kcd s GLN 52 Ca 0.12 0.52 -0.30 0.00 0.05 0.00 0.00 55.36 55.75 2kcd s GLN 52 Cb -0.11 -4.25 -0.07 0.00 1.10 0.00 0.00 33.01 29.68 2kcd s GLN 52 CO 0.02 -2.29 0.98 0.95 -0.55 0.00 0.00 175.29 174.39 2kcd s THR 53 N 7.37 4.34 -0.33 -0.34 -4.23 -0.27 -1.38 115.64 120.80 2kcd s THR 53 Ca 0.59 2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 63.10 2kcd s THR 53 Cb -0.12 -4.28 0.11 0.00 1.34 0.00 0.00 72.50 69.54 2kcd s THR 53 CO 0.23 0.34 0.14 0.20 -0.54 0.00 0.00 174.62 174.99 2kcd s ASN 54 N -0.22 3.79 -0.12 3.99 0.01 -0.71 -2.02 114.94 119.67 2kcd s ASN 54 Ca 0.46 -1.82 -0.02 0.00 -0.71 0.00 0.00 52.86 50.78 2kcd s ASN 54 Cb -0.25 -0.78 -0.03 0.00 0.41 0.00 0.00 41.25 40.61 2kcd s ASN 54 CO 0.31 -0.38 -0.05 -0.89 -1.51 0.00 0.00 177.10 174.58 2kcd s THR 55 N 1.41 3.81 -0.06 1.60 2.01 -0.95 -2.42 115.64 121.04 2kcd s THR 55 Ca 0.12 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2kcd s THR 55 Cb -0.19 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.67 2kcd s THR 55 CO -0.20 0.54 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.85 2kcd s TYR 56 N -0.13 2.81 -0.00 4.92 1.51 -1.15 -1.13 117.35 124.18 2kcd s TYR 56 Ca 0.02 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 2kcd s TYR 56 Cb -0.13 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.04 2kcd s TYR 56 CO 0.03 0.25 -0.08 1.52 -1.11 0.00 0.00 175.55 176.15 2kcd s TYR 57 N -0.75 0.72 0.19 2.71 -0.85 -0.98 -4.10 117.35 114.29 2kcd s TYR 57 Ca 0.12 -0.16 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 2kcd s TYR 57 Cb -0.11 -0.46 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 2kcd s TYR 57 CO 0.01 -0.01 0.07 0.45 -1.52 0.00 0.00 175.55 174.54 2kcd s SER 58 N -0.28 0.74 0.14 -0.18 0.15 -1.26 -2.48 113.70 110.53 2kcd s SER 58 Ca 0.02 -1.28 -0.15 0.00 0.70 0.00 0.00 55.95 55.25 2kcd s SER 58 Cb -0.04 0.23 0.02 0.00 -1.71 0.00 0.00 66.02 64.52 2kcd s SER 58 CO -0.00 -0.71 1.69 0.44 1.20 0.00 0.00 173.24 175.86 2kcd h ASP 59 N 2.65 0.62 -0.19 5.45 3.32 -2.00 -1.91 116.42 124.37 2kcd h ASP 59 Ca -0.36 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.40 2kcd h ASP 59 Cb 1.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2kcd h ASP 59 CO 0.59 0.62 -0.28 0.71 -1.72 0.00 0.00 179.24 179.16 2kcd h THR 60 N 0.59 1.28 -0.67 0.35 1.35 -2.00 -2.71 112.91 111.11 2kcd h THR 60 Ca 0.15 -1.40 -0.05 0.00 -0.55 0.00 0.00 66.41 64.56 2kcd h THR 60 Cb 0.20 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 67.92 2kcd h THR 60 CO -0.01 0.46 0.22 -0.07 -0.25 0.00 0.00 175.52 175.87 2kcd h LEU 61 N 0.58 0.96 -0.50 3.87 3.38 -1.78 -1.62 115.31 120.20 2kcd h LEU 61 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2kcd h LEU 61 Cb 0.78 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kcd h LEU 61 CO 0.06 0.91 -0.02 -0.74 0.09 0.00 0.00 178.44 178.75 2kcd h HIS 62 N 0.97 0.99 -0.64 1.13 2.76 -1.25 -0.03 115.15 119.08 2kcd h HIS 62 Ca 0.22 -0.18 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2kcd h HIS 62 Cb 0.28 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 2kcd h HIS 62 CO 0.02 0.92 0.22 0.87 -1.30 0.00 0.00 177.93 178.66 2kcd h LYS 63 N 0.77 0.98 0.00 5.26 1.57 -1.27 -1.39 116.57 122.49 2kcd h LYS 63 Ca 0.14 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kcd h LYS 63 Cb 0.54 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2kcd h LYS 63 CO 0.03 0.85 0.00 -1.13 -0.57 0.00 0.00 179.45 178.63 2kcd n SER 64 N -4.38 0.00 -2.35 0.86 3.41 -0.63 -4.87 113.62 105.66 2kcd n SER 64 Ca 0.04 -0.10 -0.20 0.00 -0.26 0.00 0.00 58.87 58.35 2kcd n SER 64 Cb 0.20 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 2kcd n SER 64 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kcd n ASN 65 N -1.29 -5.60 -4.32 4.04 5.03 -0.42 -4.85 115.26 107.86 2kcd n ASN 65 Ca 0.13 -0.08 -0.33 0.00 0.87 0.00 0.00 54.58 55.17 2kcd n ASN 65 Cb 0.22 -4.59 -0.15 0.00 -1.02 0.00 0.00 39.78 34.24 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 -3.00 2.84 -0.21 2.41 -1.09 -0.16 -2.06 121.20 119.92 2kcd s ILE 66 Ca 0.07 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 2kcd s ILE 66 Cb -0.03 -2.19 0.04 0.00 -1.58 0.00 0.00 42.46 38.69 2kcd s ILE 66 CO 0.09 0.52 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.86 2kcd s TYR 67 N 0.57 2.91 -0.20 3.97 2.02 -1.01 -4.41 117.35 121.19 2kcd s TYR 67 Ca -0.09 -1.89 -0.29 0.00 -0.37 0.00 0.00 57.07 54.43 2kcd s TYR 67 Cb -0.16 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.52 2kcd s TYR 67 CO 0.03 -0.82 1.17 -1.25 -1.57 0.00 0.00 175.55 173.11 2kcd s PRO 68 N 1.24 4.22 -0.10 -1.71 0.04 -1.26 -0.60 135.00 136.83 2kcd s PRO 68 Ca -0.01 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2kcd s PRO 68 Cb -0.16 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2kcd s PRO 68 CO -0.09 -0.71 -0.21 0.12 0.04 0.00 0.00 177.00 176.15 2kcd s PHE 69 N 3.44 2.28 -0.04 0.56 2.19 -0.54 -2.94 117.98 122.94 2kcd s PHE 69 Ca 0.50 -0.95 0.03 0.00 0.33 0.00 0.00 56.93 56.84 2kcd s PHE 69 Cb -0.18 -1.56 0.01 0.00 -1.31 0.00 0.00 43.02 39.98 2kcd s PHE 69 CO 0.12 -0.41 -0.10 0.42 1.83 0.00 0.00 175.22 177.08 2kcd s ILE 70 N 0.50 0.91 -0.14 3.12 1.01 -1.02 -1.97 121.20 123.61 2kcd s ILE 70 Ca -0.16 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 2kcd s ILE 70 Cb -0.17 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2kcd s ILE 70 CO 0.06 0.29 0.08 -0.76 0.00 0.00 0.00 174.94 174.61 2kcd s LEU 71 N 0.33 3.97 0.12 2.97 1.43 -0.91 -1.74 118.68 124.85 2kcd s LEU 71 Ca -0.06 0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.30 2kcd s LEU 71 Cb -0.11 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2kcd s LEU 71 CO 0.01 0.29 -0.10 -0.31 0.23 0.00 0.00 176.35 176.47 2kcd s TYR 72 N -0.34 1.17 -0.17 0.29 2.02 -0.48 -2.51 117.35 117.33 2kcd s TYR 72 Ca 0.09 -0.71 -0.04 0.00 -0.37 0.00 0.00 57.07 56.04 2kcd s TYR 72 Cb -0.12 -0.62 0.08 0.00 -0.40 0.00 0.00 41.96 40.91 2kcd s TYR 72 CO 0.02 0.04 0.22 -0.47 -1.57 0.00 0.00 175.55 173.79 2kcd s TYR 73 N -2.88 -0.30 0.00 2.71 5.04 -0.99 -0.63 117.35 120.29 2kcd s TYR 73 Ca 0.11 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 2kcd s TYR 73 Cb -0.00 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.02 2kcd s TYR 73 CO 0.00 -0.52 0.00 1.04 -1.34 0.00 0.00 175.55 174.73 2kcd n GLN 74 N 5.33 0.00 -2.72 4.97 6.02 -1.26 -2.42 117.38 127.30 2kcd n GLN 74 Ca -0.05 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.86 2kcd n GLN 74 Cb 0.50 0.00 0.09 0.00 1.02 0.00 0.00 30.24 31.84 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 0.72 -3.61 -1.09 4.81 -1.26 -5.14 118.16 112.59 2kcd n LYS 75 Ca 0.00 -1.55 -0.07 0.00 -0.87 0.00 0.00 58.31 55.82 2kcd n LYS 75 Cb 0.00 -0.89 -0.05 0.00 0.02 0.00 0.00 35.03 34.11 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 0.31 0.38 0.05 1.64 0.74 -1.01 -5.14 119.66 116.61 2kcd s GLN 76 Ca 0.24 0.13 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 2kcd s GLN 76 Cb 0.27 0.18 -0.04 0.00 1.10 0.00 0.00 33.01 34.51 2kcd s GLN 76 CO -0.13 -0.11 1.03 -1.17 -0.55 0.00 0.00 175.29 174.37 2kcd s LEU 77 N -0.92 4.40 -0.21 3.68 2.96 -1.26 -2.35 118.68 124.99 2kcd s LEU 77 Ca 0.03 1.80 -0.08 0.00 -0.22 0.00 0.00 54.13 55.66 2kcd s LEU 77 Cb -0.01 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 43.00 2kcd s LEU 77 CO -0.03 -0.27 -0.25 -0.38 -1.32 0.00 0.00 176.35 174.11 2kcd n ILE 78 N 3.56 1.14 -3.46 6.68 2.08 -1.04 -4.83 119.36 123.49 2kcd n ILE 78 Ca 0.06 -0.32 -0.11 0.00 0.56 0.00 0.00 62.75 62.93 2kcd n ILE 78 Cb 0.49 -1.64 -0.02 0.00 -0.75 0.00 0.00 39.64 37.72 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 -2.38 -1.70 -0.03 -1.39 0.00 -1.24 0.05 121.76 115.07 2kcd s ALA 79 Ca -0.28 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.46 2kcd s ALA 79 Cb 0.10 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.84 2kcd s ALA 79 CO 0.39 -0.70 -0.09 0.42 0.00 0.00 0.00 175.76 175.78 2kcd s ILE 80 N -3.26 0.79 -0.26 0.00 1.01 0.83 -2.14 121.20 118.17 2kcd s ILE 80 Ca 0.01 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 2kcd s ILE 80 Cb -0.01 -0.72 0.18 0.00 0.01 0.00 0.00 42.46 41.92 2kcd s ILE 80 CO -0.09 0.26 1.29 -0.83 0.00 0.00 0.00 174.94 175.56 2kcd s GLY 81 N 0.36 0.04 0.13 6.18 0.00 -0.83 -1.31 107.32 111.89 2kcd s GLY 81 Ca -0.06 2.75 0.09 0.00 0.00 0.00 0.00 44.72 47.50 2kcd s GLY 81 CO 0.01 1.20 -0.18 -0.11 0.00 0.00 0.00 173.10 174.02 2kcd s PHE 82 N -0.89 2.52 -0.28 1.90 -0.12 -0.61 -1.47 117.98 119.02 2kcd s PHE 82 Ca 0.06 -0.27 -0.13 0.00 -0.05 0.00 0.00 56.93 56.54 2kcd s PHE 82 Cb -0.01 -1.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.03 2kcd s PHE 82 CO -0.07 0.41 0.29 0.42 -0.05 0.00 0.00 175.22 176.23 2kcd s ILE 83 N -1.28 5.23 0.28 -4.49 1.01 0.23 -2.11 121.20 120.08 2kcd s ILE 83 Ca 0.19 0.34 -0.19 0.00 0.00 0.00 0.00 60.65 61.00 2kcd s ILE 83 Cb -0.10 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 2kcd s ILE 83 CO 0.11 0.17 0.76 -1.81 0.00 0.00 0.00 174.94 174.16 2kcd s ASP 84 N 1.70 6.97 0.32 3.58 1.01 -1.05 -2.42 116.67 126.78 2kcd s ASP 84 Ca 0.11 1.42 0.00 0.00 0.71 0.00 0.00 52.55 54.79 2kcd s ASP 84 Cb -0.16 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2kcd s ASP 84 CO 0.11 -0.08 0.00 -0.62 0.21 0.00 0.00 175.17 174.78 2kcd n GLU 85 N 0.24 0.00 -0.00 8.23 1.02 -0.88 -1.04 120.64 128.21 2kcd n GLU 85 Ca 0.01 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 2kcd n GLU 85 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.92 2kcd n GLU 85 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2kcd n ASN 86 N 4.98 0.18 0.00 1.62 5.15 -1.26 -4.87 115.26 121.06 2kcd n ASN 86 Ca 0.00 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 2kcd n ASN 86 Cb 0.00 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 2kcd n ASN 86 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2kcd n HIS 87 N -1.08 0.00 -2.87 1.20 -0.00 -0.21 -5.08 115.22 107.18 2kcd n HIS 87 Ca 0.01 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kcd n HIS 87 Cb 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.92 2kcd n HIS 87 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kcd n ASP 88 N 0.00 -7.59 -4.70 0.26 2.03 -1.26 -2.53 116.55 102.75 2kcd n ASP 88 Ca 0.00 1.10 -0.41 0.00 0.52 0.00 0.00 54.79 56.01 2kcd n ASP 88 Cb 0.00 -4.18 -0.04 0.00 -0.72 0.00 0.00 41.12 36.18 2kcd n ASP 88 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2kcd s MET 89 N -1.47 4.44 -0.31 -0.67 -1.94 -1.26 -2.82 119.30 115.27 2kcd s MET 89 Ca 0.01 1.05 -0.02 0.00 -1.71 0.00 0.00 55.69 55.02 2kcd s MET 89 Cb -0.00 -3.48 0.05 0.00 2.01 0.00 0.00 34.83 33.41 2kcd s MET 89 CO 0.55 -0.06 0.01 0.34 -0.01 0.00 0.00 175.02 175.85 2kcd s ASP 90 N 0.94 4.92 -0.17 3.03 -1.08 -0.90 -5.00 116.67 118.40 2kcd s ASP 90 Ca 0.41 -1.32 -0.10 0.00 -0.52 0.00 0.00 52.55 51.02 2kcd s ASP 90 Cb -0.18 -1.72 -0.05 0.00 -1.46 0.00 0.00 42.92 39.51 2kcd s ASP 90 CO 0.19 -0.28 0.18 -0.36 0.52 0.00 0.00 175.17 175.42 2kcd s PHE 91 N 1.25 3.46 -0.24 -5.34 0.08 -1.26 -1.57 117.98 114.35 2kcd s PHE 91 Ca -0.04 0.44 0.19 0.00 0.12 0.00 0.00 56.93 57.64 2kcd s PHE 91 Cb -0.20 -2.17 -0.27 0.00 -0.57 0.00 0.00 43.02 39.82 2kcd s PHE 91 CO -0.01 0.37 0.51 1.28 -0.10 0.00 0.00 175.22 177.26 2kcd n LEU 92 N 3.22 0.22 -3.44 -0.37 7.99 -0.42 -4.91 117.00 119.29 2kcd n LEU 92 Ca -0.16 -0.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.71 2kcd n LEU 92 Cb 0.52 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.80 2kcd n LEU 92 CO 0.37 0.06 0.19 -0.47 -1.51 0.00 0.00 177.39 176.03 2kcd s TYR 93 N -3.15 -1.40 -0.18 -1.77 5.04 -1.20 -4.44 117.35 110.25 2kcd s TYR 93 Ca -0.03 1.98 -0.01 0.00 -2.44 0.00 0.00 57.07 56.57 2kcd s TYR 93 Cb 0.12 0.65 -0.01 0.00 0.35 0.00 0.00 41.96 43.08 2kcd s TYR 93 CO 0.77 -0.74 -0.11 -1.17 -1.34 0.00 0.00 175.55 172.96 2kcd s LEU 94 N 2.85 2.68 -0.24 6.97 2.96 -1.26 -0.12 118.68 132.52 2kcd s LEU 94 Ca 0.06 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2kcd s LEU 94 Cb -0.13 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 44.99 2kcd s LEU 94 CO -0.19 0.06 0.04 -2.28 -1.32 0.00 0.00 176.35 172.66 2kcd s HIS 95 N 0.99 1.44 0.71 5.38 5.65 0.11 -3.73 115.29 125.85 2kcd s HIS 95 Ca -0.01 -1.28 -0.08 0.00 0.25 0.00 0.00 55.06 53.94 2kcd s HIS 95 Cb -0.15 -1.33 0.06 0.00 -1.18 0.00 0.00 32.58 29.98 2kcd s HIS 95 CO -0.01 -0.73 1.04 -0.80 -0.65 0.00 0.00 174.74 173.59 2kcd s ASN 96 N 1.71 4.85 0.44 9.88 0.01 -1.24 -4.40 114.94 126.20 2kcd s ASN 96 Ca 0.02 0.56 0.15 0.00 -0.71 0.00 0.00 52.86 52.88 2kcd s ASN 96 Cb -0.17 -1.22 0.99 0.00 0.41 0.00 0.00 41.25 41.26 2kcd s ASN 96 CO -0.14 -1.60 1.98 0.71 -1.51 0.00 0.00 177.10 176.54 2kcd h THR 97 N -0.64 1.12 0.00 1.60 1.35 -1.96 -3.23 112.91 111.14 2kcd h THR 97 Ca -0.45 -0.70 -0.13 0.00 -0.55 0.00 0.00 66.41 64.59 2kcd h THR 97 Cb 1.31 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 69.09 2kcd h THR 97 CO 0.61 0.20 -0.87 0.58 -0.25 0.00 0.00 175.52 175.79 2kcd h VAL 98 N 0.00 0.62 -1.42 6.82 2.07 -2.03 -3.50 116.25 118.81 2kcd h VAL 98 Ca -0.00 -1.74 0.12 0.00 0.82 0.00 0.00 66.70 65.90 2kcd h VAL 98 Cb 0.36 1.44 -0.25 0.00 -1.52 0.00 0.00 31.29 31.32 2kcd h VAL 98 CO 0.03 0.21 0.65 0.00 0.02 0.00 0.00 177.57 178.47 2kcd s MET 99 N -2.27 0.43 0.51 1.57 0.00 -1.22 -5.15 119.30 113.17 2kcd s MET 99 Ca -0.22 0.16 -0.22 0.00 0.00 0.00 0.00 55.69 55.41 2kcd s MET 99 Cb 0.04 0.21 -0.06 0.00 0.00 0.00 0.00 34.83 35.01 2kcd s MET 99 CO 0.44 -0.12 1.26 -1.25 0.00 0.00 0.00 175.02 175.35 2kcd s PRO 100 N -0.87 3.41 -0.04 3.16 0.04 -1.26 -3.67 135.00 135.78 2kcd s PRO 100 Ca 0.02 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.02 2kcd s PRO 100 Cb -0.01 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2kcd s PRO 100 CO -0.02 -0.90 -0.07 1.28 0.04 0.00 0.00 177.00 177.33 2kcd n LEU 101 N -0.82 0.38 0.00 -3.56 4.77 -1.24 -4.93 117.00 111.60 2kcd n LEU 101 Ca 0.09 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2kcd n LEU 101 Cb 0.47 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2kcd n LEU 101 CO 0.50 -0.45 0.00 0.18 -1.33 0.00 0.00 177.39 176.28 2kcd n LEU 102 N -2.89 2.11 -3.35 2.23 4.77 -1.26 -4.95 117.00 113.65 2kcd n LEU 102 Ca -0.03 0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 2kcd n LEU 102 Cb 0.10 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2kcd n LEU 102 CO 0.04 -0.05 0.09 0.47 -1.33 0.00 0.00 177.39 176.62 2kcd n ASP 103 N -0.86 -5.87 -4.64 -1.43 9.92 -1.26 -4.88 116.55 107.53 2kcd n ASP 103 Ca 0.00 -0.44 -0.42 0.00 -0.53 0.00 0.00 54.79 53.40 2kcd n ASP 103 Cb 0.00 -4.70 -0.03 0.00 -0.64 0.00 0.00 41.12 35.75 2kcd n ASP 103 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kcd s GLN 104 N -6.05 3.88 0.46 -1.24 -0.21 -1.26 -4.85 119.66 110.39 2kcd s GLN 104 Ca 0.45 2.12 0.25 0.00 0.02 0.00 0.00 55.36 58.20 2kcd s GLN 104 Cb -0.21 -4.11 1.06 0.00 1.00 0.00 0.00 33.01 30.75 2kcd s GLN 104 CO 0.56 -1.22 1.89 0.07 -2.12 0.00 0.00 175.29 174.47 2kcd h ARG 105 N 11.10 0.00 -0.22 2.91 0.11 -1.89 -2.92 114.38 123.47 2kcd h ARG 105 Ca -0.41 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.67 2kcd h ARG 105 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 2kcd h ARG 105 CO 0.97 0.21 0.12 1.88 0.10 0.00 0.00 179.97 183.24 2kcd h TYR 106 N 0.00 0.30 -0.54 4.08 0.05 -1.88 0.37 116.97 119.35 2kcd h TYR 106 Ca -0.00 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2kcd h TYR 106 Cb 0.64 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.26 2kcd h TYR 106 CO 0.00 0.27 -0.03 -0.07 -1.05 0.00 0.00 178.16 177.28 2kcd h LEU 107 N 0.24 0.96 -0.53 3.88 3.38 -1.74 1.82 115.31 123.33 2kcd h LEU 107 Ca 0.08 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 2kcd h LEU 107 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kcd h LEU 107 CO -0.01 1.05 0.19 0.25 0.09 0.00 0.00 178.44 180.00 2kcd h LEU 108 N 0.85 0.75 -1.27 1.67 6.46 -1.28 -2.41 115.31 120.07 2kcd h LEU 108 Ca 0.15 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 2kcd h LEU 108 Cb 0.57 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2kcd h LEU 108 CO 0.03 0.73 -0.04 0.35 -0.62 0.00 0.00 178.44 178.90 2kcd n THR 109 N -4.50 0.00 -1.08 1.05 -2.24 0.13 -5.01 114.28 102.62 2kcd n THR 109 Ca 0.02 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2kcd n THR 109 Cb 0.18 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.26 -2.26 0.06 3.38 0.00 0.62 -4.16 105.19 104.08 2kcd n GLY 110 Ca 0.16 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.81 2kcd n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcd n GLY 111 N -0.70 -0.88 3.73 -0.02 0.00 -1.25 -4.40 105.19 101.67 2kcd n GLY 111 Ca 0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2kcd n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kcd s GLN 112 N -2.00 2.33 0.20 1.61 1.11 -1.26 -4.93 119.66 116.73 2kcd s GLN 112 Ca 0.46 1.75 -0.30 0.00 0.01 0.00 0.00 55.36 57.27 2kcd s GLN 112 Cb 0.21 -1.86 -0.09 0.00 -1.01 0.00 0.00 33.01 30.26 2kcd s GLN 112 CO 0.36 -1.68 1.39 -1.17 0.01 0.00 0.00 175.29 174.20 2kcd s LEU 113 N -4.94 4.39 0.29 2.90 2.96 -1.26 -4.96 118.68 118.06 2kcd s LEU 113 Ca 0.74 2.51 -0.29 0.00 -0.22 0.00 0.00 54.13 56.87 2kcd s LEU 113 Cb -0.29 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.69 2kcd s LEU 113 CO 0.43 -0.64 1.39 -1.83 -1.32 0.00 0.00 176.35 174.38 2kcd s GLU 114 N 0.12 4.29 -0.12 1.98 -1.05 -1.26 -4.89 118.70 117.77 2kcd s GLU 114 Ca 0.60 2.29 0.06 0.00 -0.15 0.00 0.00 54.97 57.77 2kcd s GLU 114 Cb -0.39 -3.09 0.37 0.00 -0.44 0.00 0.00 34.13 30.58 2kcd s GLU 114 CO 0.38 -0.35 1.10 -2.39 0.95 0.00 0.00 175.26 174.96 2kcd n HIS 115 N 1.65 1.00 -1.48 4.83 1.44 -1.26 -5.01 115.22 116.39 2kcd n HIS 115 Ca 0.04 -0.40 0.06 0.00 -2.01 0.00 0.00 57.72 55.41 2kcd n HIS 115 Cb 0.41 -0.31 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 2kcd n HIS 115 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcd n HIS 116 N 0.24 -4.02 -2.73 -1.40 -0.00 -1.26 -4.81 115.22 101.25 2kcd n HIS 116 Ca 0.14 2.19 -0.41 0.00 0.46 0.00 0.00 57.72 60.10 2kcd n HIS 116 Cb 0.72 -3.49 -0.05 0.00 -0.12 0.00 0.00 29.99 27.05 2kcd n HIS 116 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcd s HIS 117 N -4.97 3.84 -0.49 1.57 3.76 -1.26 -5.00 115.29 112.74 2kcd s HIS 117 Ca 0.00 1.82 0.07 0.00 -0.15 0.00 0.00 55.06 56.80 2kcd s HIS 117 Cb 0.00 -3.05 0.18 0.00 1.11 0.00 0.00 32.58 30.83 2kcd s HIS 117 CO 0.00 0.23 0.66 -1.58 -0.85 0.00 0.00 174.74 173.20 2kcd s HIS 118 N -0.25 -1.26 -0.11 1.40 5.04 -1.26 -5.13 115.29 113.72 2kcd s HIS 118 Ca 0.46 -0.69 0.02 0.00 -1.54 0.00 0.00 55.06 53.31 2kcd s HIS 118 Cb -0.24 0.14 0.01 0.00 0.04 0.00 0.00 32.58 32.53 2kcd s HIS 118 CO 0.30 -1.20 -0.18 -1.58 -2.34 0.00 0.00 174.74 169.74 2kcd s HIS 119 N 0.92 2.20 0.00 3.88 5.04 -1.26 -5.28 115.29 120.80 2kcd s HIS 119 Ca 0.28 -1.04 0.00 0.00 -1.54 0.00 0.00 55.06 52.77 2kcd s HIS 119 Cb -0.01 -1.54 0.00 0.00 0.04 0.00 0.00 32.58 31.07 2kcd s HIS 119 CO -0.07 -0.50 0.00 1.58 -2.34 0.00 0.00 174.74 173.41