#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk n ASP 2 N 0.00 0.00 -4.56 0.00 9.92 -1.26 -4.88 116.55 115.77 1ckk n ASP 2 Ca 0.00 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.85 1ckk n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1ckk s GLN 3 N 0.00 3.07 1.00 -1.24 -0.21 -1.26 -4.99 119.66 116.03 1ckk s GLN 3 Ca 0.00 0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.63 1ckk s GLN 3 Cb 0.00 -4.22 0.19 0.00 1.00 0.00 0.00 33.01 29.98 1ckk s GLN 3 CO 0.00 -2.23 1.08 -0.51 -2.12 0.00 0.00 175.29 171.51 1ckk s LEU 4 N 6.94 1.75 0.00 2.90 1.43 -1.26 -4.97 118.68 125.46 1ckk s LEU 4 Ca 0.54 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 1ckk s LEU 4 Cb -0.11 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.38 1ckk s LEU 4 CO 0.21 -3.29 0.70 0.35 0.23 0.00 0.00 176.35 174.56 1ckk n THR 5 N -4.31 0.45 0.30 5.49 -2.24 -1.26 -4.76 114.28 107.96 1ckk n THR 5 Ca 0.06 -0.48 0.19 0.00 -2.27 0.00 0.00 64.05 61.55 1ckk n THR 5 Cb 0.55 0.82 1.01 0.00 -2.10 0.00 0.00 70.33 70.60 1ckk n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ckk h GLU 6 N 0.00 0.00 -0.94 -0.78 5.08 -2.01 -2.61 114.58 113.32 1ckk h GLU 6 Ca 0.00 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.63 1ckk h GLU 6 Cb 0.71 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.79 1ckk h GLU 6 CO 0.00 0.00 0.15 1.05 -1.00 0.00 0.00 179.01 179.21 1ckk h GLU 7 N 0.00 0.07 -0.66 2.33 4.11 -2.00 0.90 114.58 119.33 1ckk h GLU 7 Ca 0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 1ckk h GLU 7 Cb 0.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1ckk h GLU 7 CO -0.00 0.05 0.33 1.96 0.07 0.00 0.00 179.01 181.41 1ckk h GLN 8 N 0.07 0.95 -0.36 1.06 4.20 -1.87 -2.35 115.11 116.80 1ckk h GLN 8 Ca 0.60 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 59.09 1ckk h GLN 8 Cb 1.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1ckk h GLN 8 CO -0.81 0.74 -0.14 0.82 -0.67 0.00 0.00 178.83 178.78 1ckk h ILE 9 N 0.91 1.25 -0.81 2.54 2.04 0.51 -2.67 117.51 121.28 1ckk h ILE 9 Ca 0.23 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1ckk h ILE 9 Cb 0.10 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1ckk h ILE 9 CO -0.03 0.38 0.44 0.00 0.00 0.00 0.00 178.15 178.94 1ckk h ALA 10 N 1.28 1.26 0.19 1.87 0.00 -0.24 -1.20 119.26 122.41 1ckk h ALA 10 Ca 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ckk h ALA 10 Cb 0.57 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ckk h ALA 10 CO 0.04 0.60 -0.09 1.49 0.00 0.00 0.00 179.25 181.29 1ckk h GLU 11 N 1.13 -0.24 -0.46 0.00 4.57 -1.13 -1.98 114.58 116.46 1ckk h GLU 11 Ca 0.29 0.02 0.11 0.00 -1.18 0.00 0.00 59.36 58.59 1ckk h GLU 11 Cb 0.02 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1ckk h GLU 11 CO -0.05 0.01 0.32 0.74 -1.18 0.00 0.00 179.01 178.86 1ckk h PHE 12 N -0.48 0.14 -0.40 0.92 0.04 -1.27 0.14 116.94 116.03 1ckk h PHE 12 Ca -0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 1ckk h PHE 12 Cb 0.37 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1ckk h PHE 12 CO 0.00 0.07 -0.18 -0.22 -0.60 0.00 0.00 178.31 177.38 1ckk h LYS 13 N 0.13 0.77 -0.19 1.51 3.11 -0.73 -2.30 116.57 118.87 1ckk h LYS 13 Ca 0.22 -0.29 0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1ckk h LYS 13 Cb 0.69 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1ckk h LYS 13 CO -0.03 0.89 0.06 0.93 -2.81 0.00 0.00 179.45 178.49 1ckk h GLU 14 N 0.68 0.14 0.11 1.90 4.39 0.01 -1.21 114.58 120.60 1ckk h GLU 14 Ca 0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ckk h GLU 14 Cb 0.68 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1ckk h GLU 14 CO 0.05 0.09 -0.09 0.00 -1.16 0.00 0.00 179.01 177.91 1ckk h ALA 15 N 1.12 -0.18 -0.62 3.43 0.00 -1.33 -0.61 119.26 121.07 1ckk h ALA 15 Ca 0.08 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.14 1ckk h ALA 15 Cb 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ckk h ALA 15 CO -0.09 -0.61 0.51 0.35 0.00 0.00 0.00 179.25 179.40 1ckk h PHE 16 N -0.20 0.00 0.00 0.00 3.57 -1.09 0.49 116.94 119.70 1ckk h PHE 16 Ca -0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1ckk h PHE 16 Cb 0.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ckk h PHE 16 CO -0.10 0.00 -0.82 1.03 -2.23 0.00 0.00 178.31 176.19 1ckk h SER 17 N 0.00 0.00 -0.52 0.41 0.87 0.08 -2.71 113.55 111.69 1ckk h SER 17 Ca 0.29 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1ckk h SER 17 Cb 1.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 1ckk h SER 17 CO -0.00 0.81 0.18 0.25 -0.53 0.00 0.00 176.83 177.54 1ckk h LEU 18 N 0.00 0.74 0.02 2.23 6.46 0.11 -3.10 115.31 121.76 1ckk h LEU 18 Ca -0.01 -0.19 -0.25 0.00 -0.12 0.00 0.00 57.88 57.31 1ckk h LEU 18 Cb 1.63 -0.19 0.02 0.00 -0.73 0.00 0.00 40.66 41.38 1ckk h LEU 18 CO 0.10 0.73 -0.97 -0.26 -0.62 0.00 0.00 178.44 177.42 1ckk h PHE 19 N 0.70 0.95 -2.05 1.25 0.04 -1.57 -3.41 116.94 112.85 1ckk h PHE 19 Ca 0.17 -0.53 -0.51 0.00 2.80 0.00 0.00 57.97 59.91 1ckk h PHE 19 Cb 0.24 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 1ckk h PHE 19 CO 0.01 1.36 1.30 0.34 -0.60 0.00 0.00 178.31 180.72 1ckk s ASP 20 N -7.19 5.44 0.05 2.17 -1.08 -1.02 -4.60 116.67 110.44 1ckk s ASP 20 Ca -0.11 0.19 0.12 0.00 -0.52 0.00 0.00 52.55 52.23 1ckk s ASP 20 Cb 0.06 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.80 1ckk s ASP 20 CO 0.90 -2.28 0.94 0.11 0.52 0.00 0.00 175.17 175.37 1ckk h LYS 21 N 14.02 0.00 0.03 4.34 1.79 -1.80 -3.33 116.57 131.62 1ckk h LYS 21 Ca -0.26 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 57.98 1ckk h LYS 21 Cb 1.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1ckk h LYS 21 CO 1.23 0.62 -0.99 -0.44 -1.08 0.00 0.00 179.45 178.79 1ckk h ASP 22 N 0.00 0.30 0.00 0.86 3.32 -1.93 -3.47 116.42 115.50 1ckk h ASP 22 Ca -0.16 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1ckk h ASP 22 Cb 1.83 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.28 1ckk h ASP 22 CO 0.09 1.12 0.00 0.61 -1.72 0.00 0.00 179.24 179.34 1ckk n GLY 23 N 1.10 0.79 0.09 2.75 0.00 -1.25 -4.95 105.19 103.73 1ckk n GLY 23 Ca -0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1ckk n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ckk h ASP 24 N 0.00 0.00 0.00 1.61 2.03 -1.91 -3.48 116.42 114.67 1ckk h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ckk h ASP 24 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ckk h ASP 24 CO 0.00 0.78 0.00 0.61 -1.03 0.00 0.00 179.24 179.60 1ckk n GLY 25 N 1.36 1.23 3.07 7.15 0.00 -1.26 -5.08 105.19 111.66 1ckk n GLY 25 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1ckk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 26 N -2.00 -0.68 -0.32 2.61 -4.23 -1.24 -4.31 115.64 105.46 1ckk s THR 26 Ca 0.00 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.25 1ckk s THR 26 Cb 0.00 -0.80 0.01 0.00 1.34 0.00 0.00 72.50 73.05 1ckk s THR 26 CO 0.00 -0.05 0.96 -0.63 -0.54 0.00 0.00 174.62 174.36 1ckk s ILE 27 N 2.62 4.61 0.74 2.99 1.01 -0.67 -4.74 121.20 127.76 1ckk s ILE 27 Ca 0.09 1.46 -0.04 0.00 0.00 0.00 0.00 60.65 62.17 1ckk s ILE 27 Cb -0.14 -4.32 0.12 0.00 0.01 0.00 0.00 42.46 38.13 1ckk s ILE 27 CO -0.16 -0.42 1.03 -0.89 0.00 0.00 0.00 174.94 174.50 1ckk s THR 28 N 3.40 2.18 0.32 2.92 2.01 -1.26 -2.27 115.64 122.94 1ckk s THR 28 Ca 0.40 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1ckk s THR 28 Cb -0.13 -2.70 0.17 0.00 0.01 0.00 0.00 72.50 69.85 1ckk s THR 28 CO 0.15 0.00 1.87 0.71 -0.69 0.00 0.00 174.62 176.66 1ckk h THR 29 N -0.66 1.20 0.28 -0.82 1.35 -1.96 -2.88 112.91 109.42 1ckk h THR 29 Ca -0.39 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 1ckk h THR 29 Cb 1.27 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ckk h THR 29 CO 0.43 0.27 -0.14 0.50 -0.25 0.00 0.00 175.52 176.33 1ckk h LYS 30 N 0.64 -0.37 -0.34 4.72 1.63 -1.97 -0.45 116.57 120.43 1ckk h LYS 30 Ca 0.14 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 60.00 1ckk h LYS 30 Cb 0.27 0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 1ckk h LYS 30 CO -0.00 -0.04 -0.30 0.93 -3.45 0.00 0.00 179.45 176.59 1ckk h GLU 31 N -0.94 -0.11 -0.76 1.90 5.08 -1.88 0.41 114.58 118.27 1ckk h GLU 31 Ca -0.04 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ckk h GLU 31 Cb 0.50 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1ckk h GLU 31 CO 0.06 -0.08 0.50 1.25 -1.00 0.00 0.00 179.01 179.75 1ckk h LEU 32 N -0.12 0.79 -0.77 1.33 5.85 -1.63 -1.52 115.31 119.24 1ckk h LEU 32 Ca 0.06 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1ckk h LEU 32 Cb 0.27 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1ckk h LEU 32 CO -0.39 0.54 0.45 1.23 -0.34 0.00 0.00 178.44 179.94 1ckk h GLY 33 N 0.92 1.15 0.92 3.75 0.00 0.12 -1.89 103.07 108.03 1ckk h GLY 33 Ca 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1ckk h GLY 33 CO -0.09 0.20 0.10 -0.84 0.00 0.00 0.00 176.54 175.91 1ckk h THR 34 N 0.82 1.13 -0.42 4.70 2.02 0.68 -1.80 112.91 120.05 1ckk h THR 34 Ca 0.34 -0.37 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1ckk h THR 34 Cb 0.20 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1ckk h THR 34 CO -0.18 0.13 0.31 0.58 0.37 0.00 0.00 175.52 176.72 1ckk h VAL 35 N 0.20 0.76 -0.01 3.16 2.07 -1.09 0.13 116.25 121.47 1ckk h VAL 35 Ca 0.07 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.41 1ckk h VAL 35 Cb 0.11 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ckk h VAL 35 CO -0.01 0.00 -0.80 0.24 0.02 0.00 0.00 177.57 177.02 1ckk h MET 36 N 0.00 0.11 0.00 1.57 2.86 -0.59 -3.03 114.93 115.85 1ckk h MET 36 Ca 0.20 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ckk h MET 36 Cb 0.81 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1ckk h MET 36 CO -0.00 0.86 0.00 -0.09 1.06 0.00 0.00 176.91 178.73 1ckk h ARG 37 N 0.07 0.00 0.02 1.72 2.43 -0.14 -3.01 114.38 115.46 1ckk h ARG 37 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ckk h ARG 37 Cb 1.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 1ckk h ARG 37 CO 0.12 0.00 -0.01 0.77 -1.51 0.00 0.00 179.97 179.34 1ckk h SER 38 N 0.00 -0.02 0.00 -3.80 0.02 -1.21 -3.21 113.55 105.32 1ckk h SER 38 Ca 0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 1ckk h SER 38 Cb 0.77 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1ckk h SER 38 CO 0.00 0.78 0.06 -0.07 -1.14 0.00 0.00 176.83 176.46 1ckk h LEU 39 N -0.89 0.00 -0.26 5.07 3.38 -1.63 -3.46 115.31 117.52 1ckk h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ckk h LEU 39 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ckk h LEU 39 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1ckk n GLY 40 N -1.17 0.72 0.00 0.83 0.00 -1.21 -5.04 105.19 99.32 1ckk n GLY 40 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1ckk n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ckk n GLN 41 N -0.09 0.00 -3.15 1.61 1.13 -1.14 -5.05 117.38 110.70 1ckk n GLN 41 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ckk n GLN 41 Cb 0.04 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.38 1ckk n GLN 41 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ckk s ASN 42 N 0.53 -1.44 0.04 1.08 4.22 -1.26 -4.78 114.94 113.33 1ckk s ASN 42 Ca 0.00 -0.96 -0.30 0.00 -2.14 0.00 0.00 52.86 49.46 1ckk s ASN 42 Cb 0.00 1.91 -0.06 0.00 1.28 0.00 0.00 41.25 44.38 1ckk s ASN 42 CO 0.00 -0.15 1.34 -2.16 -2.04 0.00 0.00 177.10 174.08 1ckk s PRO 43 N 1.68 4.33 -0.15 3.55 0.04 -1.26 -4.90 135.00 138.30 1ckk s PRO 43 Ca 0.18 1.92 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1ckk s PRO 43 Cb -0.04 -3.44 0.21 0.00 0.04 0.00 0.00 34.50 31.28 1ckk s PRO 43 CO -0.07 -0.46 1.31 -2.37 0.04 0.00 0.00 177.00 175.46 1ckk n THR 44 N 4.31 1.73 0.00 1.26 5.66 -1.26 -4.87 114.28 121.11 1ckk n THR 44 Ca 0.12 -0.63 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1ckk n THR 44 Cb 0.44 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 1ckk n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ckk n GLU 45 N -0.00 0.00 -0.35 1.09 4.07 -1.26 -4.32 120.64 119.86 1ckk n GLU 45 Ca 0.19 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.42 1ckk n GLU 45 Cb 0.87 0.00 0.32 0.00 -0.06 0.00 0.00 31.44 32.56 1ckk n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ckk h ALA 46 N 0.00 1.66 0.15 4.31 0.00 -2.00 -1.45 119.26 121.94 1ckk h ALA 46 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ckk h ALA 46 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ckk h ALA 46 CO 0.00 -0.04 -0.07 0.93 0.00 0.00 0.00 179.25 180.07 1ckk h GLU 47 N 0.78 -0.20 -0.60 0.00 4.39 -1.94 -2.04 114.58 114.97 1ckk h GLU 47 Ca 0.58 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.37 1ckk h GLU 47 Cb 0.88 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.47 1ckk h GLU 47 CO -0.38 0.15 -0.47 -0.07 -1.16 0.00 0.00 179.01 177.08 1ckk h LEU 48 N -0.58 -1.64 -0.38 1.33 3.38 -1.63 0.67 115.31 116.45 1ckk h LEU 48 Ca -0.02 0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1ckk h LEU 48 Cb 0.44 0.73 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1ckk h LEU 48 CO 0.03 -0.34 0.09 1.56 0.09 0.00 0.00 178.44 179.88 1ckk h GLN 49 N -0.24 0.22 -0.75 1.13 1.08 -1.41 0.73 115.11 115.88 1ckk h GLN 49 Ca 0.16 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.41 1ckk h GLN 49 Cb 0.56 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1ckk h GLN 49 CO -0.70 0.15 0.49 0.22 -0.95 0.00 0.00 178.83 178.03 1ckk h ASP 50 N 0.23 0.71 -0.00 1.46 1.82 -0.04 0.86 116.42 121.45 1ckk h ASP 50 Ca 0.18 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.74 1ckk h ASP 50 Cb 0.20 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.06 1ckk h ASP 50 CO -0.22 0.46 -0.31 0.24 -1.61 0.00 0.00 179.24 177.80 1ckk h MET 51 N 0.81 0.21 -0.01 0.28 2.86 0.19 -3.03 114.93 116.25 1ckk h MET 51 Ca 0.32 -0.23 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1ckk h MET 51 Cb 0.22 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1ckk h MET 51 CO -0.11 0.95 -0.30 0.82 1.06 0.00 0.00 176.91 179.34 1ckk h ILE 52 N -0.44 1.22 0.00 -1.22 1.08 0.89 -1.70 117.51 117.35 1ckk h ILE 52 Ca -0.04 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 1ckk h ILE 52 Cb 1.06 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1ckk h ILE 52 CO 0.06 0.30 0.00 0.78 -0.69 0.00 0.00 178.15 178.60 1ckk h ASN 53 N 0.01 0.00 0.01 1.72 2.35 0.73 -2.32 115.58 118.08 1ckk h ASN 53 Ca -0.00 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 1ckk h ASN 53 Cb 0.54 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1ckk h ASN 53 CO 0.04 0.00 -1.02 -0.08 -1.65 0.00 0.00 177.43 174.72 1ckk h GLU 54 N 0.00 0.02 0.00 0.81 4.57 -1.18 -3.34 114.58 115.46 1ckk h GLU 54 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1ckk h GLU 54 Cb 0.51 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1ckk h GLU 54 CO 0.00 1.02 0.00 0.28 -1.18 0.00 0.00 179.01 179.13 1ckk n VAL 55 N -4.42 0.77 -1.65 0.32 0.31 -1.06 -4.50 118.33 108.10 1ckk n VAL 55 Ca -0.27 0.13 -0.18 0.00 -0.01 0.00 0.00 64.34 64.01 1ckk n VAL 55 Cb 0.66 -1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.48 1ckk n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ckk n ASP 56 N -2.10 1.68 -0.25 4.52 -0.08 -0.87 -4.69 116.55 114.77 1ckk n ASP 56 Ca 0.03 -2.53 -0.06 0.00 -1.51 0.00 0.00 54.79 50.72 1ckk n ASP 56 Cb 0.26 -1.71 0.09 0.00 2.34 0.00 0.00 41.12 42.10 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk h ALA 57 N 11.23 1.04 0.02 -1.67 0.00 -1.91 -3.22 119.26 124.75 1ckk h ALA 57 Ca 0.05 -0.22 -0.33 0.00 0.00 0.00 0.00 54.91 54.41 1ckk h ALA 57 Cb 0.98 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1ckk h ALA 57 CO 1.08 0.65 -2.00 -0.40 0.00 0.00 0.00 179.25 178.57 1ckk n ASP 58 N -4.26 0.88 -0.05 0.00 5.75 -1.26 -5.00 116.55 112.61 1ckk n ASP 58 Ca 0.06 0.23 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 1ckk n ASP 58 Cb 0.23 0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1ckk n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 59 N 1.72 1.10 0.10 6.12 0.00 -1.22 -5.00 105.19 108.01 1ckk n GLY 59 Ca -0.26 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.78 1ckk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 60 N 0.19 1.20 0.00 1.61 6.94 -1.26 -4.95 115.26 118.99 1ckk n ASN 60 Ca 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 1ckk n ASN 60 Cb 0.06 0.88 0.00 0.00 -2.36 0.00 0.00 39.78 38.36 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 61 N 1.48 0.89 2.97 4.83 0.00 -1.26 -5.02 105.19 109.08 1ckk n GLY 61 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1ckk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 62 N -2.97 0.20 0.22 2.61 -4.23 -1.26 -4.58 115.64 105.63 1ckk s THR 62 Ca 0.00 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 59.58 1ckk s THR 62 Cb 0.00 -0.28 -0.08 0.00 1.34 0.00 0.00 72.50 73.48 1ckk s THR 62 CO 0.00 -0.28 1.02 -0.63 -0.54 0.00 0.00 174.62 174.19 1ckk s ILE 63 N -0.93 3.93 0.40 2.99 -1.09 -0.96 -4.66 121.20 120.89 1ckk s ILE 63 Ca -0.09 1.83 0.08 0.00 -2.23 0.00 0.00 60.65 60.24 1ckk s ILE 63 Cb -0.07 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 1ckk s ILE 63 CO -0.00 0.39 0.24 -0.62 -1.23 0.00 0.00 174.94 173.71 1ckk s ASP 64 N -0.71 4.65 0.20 3.58 2.15 -1.26 -1.68 116.67 123.60 1ckk s ASP 64 Ca 0.44 -0.93 -0.10 0.00 0.43 0.00 0.00 52.55 52.39 1ckk s ASP 64 Cb -0.28 -0.54 0.24 0.00 -0.30 0.00 0.00 42.92 42.04 1ckk s ASP 64 CO 0.35 -0.54 1.76 0.15 -0.17 0.00 0.00 175.17 176.72 1ckk h PHE 65 N 1.32 0.46 -0.11 -5.34 3.57 -1.98 -0.27 116.94 114.59 1ckk h PHE 65 Ca -0.42 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 1ckk h PHE 65 Cb 1.26 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1ckk h PHE 65 CO 0.59 0.16 -0.19 -1.00 -2.23 0.00 0.00 178.31 175.64 1ckk h PRO 66 N 0.47 0.33 -0.57 6.41 0.13 -1.96 -2.80 132.00 134.01 1ckk h PRO 66 Ca 0.29 -0.20 0.08 0.00 -0.87 0.00 0.00 66.00 65.29 1ckk h PRO 66 Cb 0.29 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.41 1ckk h PRO 66 CO -0.25 0.79 0.38 0.93 -0.23 0.00 0.00 178.00 179.62 1ckk h GLU 67 N -0.10 0.43 0.38 0.86 5.08 -1.87 -2.51 114.58 116.85 1ckk h GLU 67 Ca 0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ckk h GLU 67 Cb 0.77 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ckk h GLU 67 CO 0.04 0.28 -0.18 0.35 -1.00 0.00 0.00 179.01 178.50 1ckk h PHE 68 N 0.44 -0.48 0.15 4.33 3.57 -0.94 -2.44 116.94 121.56 1ckk h PHE 68 Ca 0.26 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1ckk h PHE 68 Cb 0.44 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1ckk h PHE 68 CO -0.00 -0.15 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.41 1ckk h LEU 69 N -0.90 -1.34 0.11 0.59 4.07 -1.22 -2.58 115.31 114.03 1ckk h LEU 69 Ca -0.05 0.14 0.02 0.00 0.08 0.00 0.00 57.88 58.06 1ckk h LEU 69 Cb 0.54 0.49 -0.05 0.00 1.08 0.00 0.00 40.66 42.73 1ckk h LEU 69 CO 0.09 -0.49 -0.46 0.74 -1.08 0.00 0.00 178.44 177.23 1ckk h THR 70 N -0.68 0.10 -0.07 0.22 2.02 -1.57 -3.15 112.91 109.78 1ckk h THR 70 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ckk h THR 70 Cb 0.67 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1ckk h THR 70 CO -0.22 0.00 -0.06 -0.03 0.37 0.00 0.00 175.52 175.58 1ckk h MET 71 N -0.68 -0.03 -1.45 6.66 -1.53 -1.32 0.34 114.93 116.92 1ckk h MET 71 Ca 0.02 0.00 0.42 0.00 -3.44 0.00 0.00 59.70 56.70 1ckk h MET 71 Cb 0.71 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.71 1ckk h MET 71 CO -0.27 -0.02 1.21 -1.33 0.14 0.00 0.00 176.91 176.64 1ckk n MET 72 N -3.09 0.00 -0.04 0.39 2.00 -0.98 0.23 117.12 115.63 1ckk n MET 72 Ca -0.00 0.95 -0.21 0.00 0.00 0.00 0.00 57.70 58.43 1ckk n MET 72 Cb 0.03 -2.25 -0.13 0.00 0.00 0.00 0.00 33.22 30.87 1ckk n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ckk n ALA 73 N -2.56 1.01 0.30 3.04 0.00 0.92 -3.96 120.51 119.26 1ckk n ALA 73 Ca 0.33 -0.71 0.18 0.00 0.00 0.00 0.00 53.44 53.23 1ckk n ALA 73 Cb 1.64 -0.51 0.80 0.00 0.00 0.00 0.00 19.45 21.38 1ckk n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ckk h ARG 74 N -0.10 0.00 0.16 0.00 2.43 0.24 -2.81 114.38 114.30 1ckk h ARG 74 Ca -0.46 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.42 1ckk h ARG 74 Cb 1.91 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.47 1ckk h ARG 74 CO -0.00 0.00 -1.32 -0.22 -1.51 0.00 0.00 179.97 176.92 1ckk h LYS 75 N 0.00 0.33 -1.96 0.20 1.63 -1.40 -3.31 116.57 112.06 1ckk h LYS 75 Ca 0.00 -0.57 -0.28 0.00 -0.85 0.00 0.00 60.65 58.95 1ckk h LYS 75 Cb 0.35 0.21 -0.10 0.00 -0.60 0.00 0.00 32.23 32.08 1ckk h LYS 75 CO 0.00 1.27 -0.04 -1.33 -3.45 0.00 0.00 179.45 175.90 1ckk n MET 76 N -3.57 2.02 -3.16 1.90 2.81 -1.06 -3.37 117.12 112.69 1ckk n MET 76 Ca -0.11 -1.38 0.03 0.00 -1.81 0.00 0.00 57.70 54.42 1ckk n MET 76 Cb 1.04 -1.92 -0.00 0.00 -0.71 0.00 0.00 33.22 31.63 1ckk n MET 76 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ckk s LYS 77 N -0.18 0.65 -0.71 0.03 1.02 -1.25 -4.93 119.74 114.36 1ckk s LYS 77 Ca 0.55 0.12 -0.00 0.00 0.02 0.00 0.00 55.97 56.67 1ckk s LYS 77 Cb 0.30 0.16 -0.00 0.00 -0.52 0.00 0.00 37.83 37.78 1ckk s LYS 77 CO -0.07 -1.05 0.68 -0.25 -0.92 0.00 0.00 175.35 173.73 1ckk n ASP 78 N 4.86 -7.58 0.01 2.83 8.00 -1.26 -4.85 116.55 118.55 1ckk n ASP 78 Ca 0.08 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1ckk n ASP 78 Cb 0.56 -5.15 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ckk n THR 79 N -1.75 0.00 -2.68 -3.53 -2.24 -1.26 -5.05 114.28 97.77 1ckk n THR 79 Ca -0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.75 1ckk n THR 79 Cb 0.50 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1ckk n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ckk s ASP 80 N -2.00 -0.26 -0.20 3.42 -4.77 -1.22 -5.03 116.67 106.61 1ckk s ASP 80 Ca 0.00 -0.29 0.15 0.00 -3.30 0.00 0.00 52.55 49.12 1ckk s ASP 80 Cb 0.00 0.34 -0.23 0.00 -1.09 0.00 0.00 42.92 41.94 1ckk s ASP 80 CO 0.00 -0.01 0.03 -1.20 0.70 0.00 0.00 175.17 174.69 1ckk n SER 81 N 2.73 0.44 -0.01 2.11 7.64 -1.26 -3.96 113.62 121.30 1ckk n SER 81 Ca 0.11 -0.02 -0.08 0.00 1.01 0.00 0.00 58.87 59.89 1ckk n SER 81 Cb 0.65 0.81 -0.14 0.00 -1.01 0.00 0.00 64.21 64.52 1ckk n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ckk h GLU 82 N 0.00 0.00 -0.35 1.43 3.07 -1.98 -3.35 114.58 113.40 1ckk h GLU 82 Ca -0.53 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.23 1ckk h GLU 82 Cb 2.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.06 1ckk h GLU 82 CO 0.01 0.56 -0.16 1.49 -1.40 0.00 0.00 179.01 179.52 1ckk h GLU 83 N 0.00 0.72 -0.50 2.33 4.81 -1.96 -2.59 114.58 117.39 1ckk h GLU 83 Ca -0.25 -0.31 0.14 0.00 -0.13 0.00 0.00 59.36 58.82 1ckk h GLU 83 Cb 1.98 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.32 1ckk h GLU 83 CO 0.09 0.91 0.47 1.05 -0.73 0.00 0.00 179.01 180.80 1ckk h GLU 84 N 0.50 0.00 0.04 1.92 4.11 -1.70 0.41 114.58 119.87 1ckk h GLU 84 Ca 0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.44 1ckk h GLU 84 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ckk h GLU 84 CO 0.05 0.00 -0.29 0.82 0.07 0.00 0.00 179.01 179.66 1ckk h ILE 85 N 0.00 1.67 -0.04 -1.06 2.04 -1.61 -1.03 117.51 117.47 1ckk h ILE 85 Ca 0.24 -2.32 -0.03 0.00 1.00 0.00 0.00 64.86 63.74 1ckk h ILE 85 Cb 1.17 3.22 -0.01 0.00 -0.74 0.00 0.00 36.82 40.46 1ckk h ILE 85 CO -0.00 0.63 -0.13 -0.09 0.00 0.00 0.00 178.15 178.55 1ckk h ARG 86 N -0.72 0.07 -0.01 2.37 2.43 -0.98 -0.25 114.38 117.29 1ckk h ARG 86 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1ckk h ARG 86 Cb 1.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ckk h ARG 86 CO 0.05 0.20 -0.04 0.93 -1.51 0.00 0.00 179.97 179.61 1ckk h GLU 87 N 0.06 0.04 -0.74 0.20 5.08 -0.27 -1.87 114.58 117.08 1ckk h GLU 87 Ca 0.01 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1ckk h GLU 87 Cb 0.27 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1ckk h GLU 87 CO 0.02 0.68 0.49 0.00 -1.00 0.00 0.00 179.01 179.20 1ckk h ALA 88 N 0.36 1.72 -0.32 3.43 0.00 -0.75 -1.32 119.26 122.38 1ckk h ALA 88 Ca -0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ckk h ALA 88 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ckk h ALA 88 CO 0.01 0.15 -0.08 0.35 0.00 0.00 0.00 179.25 179.68 1ckk h PHE 89 N 0.75 0.70 -0.91 0.00 3.04 -1.00 -2.54 116.94 116.98 1ckk h PHE 89 Ca 0.33 -0.15 0.19 0.00 3.98 0.00 0.00 57.97 62.32 1ckk h PHE 89 Cb 0.32 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.58 1ckk h PHE 89 CO -0.00 0.80 0.59 -0.09 -2.02 0.00 0.00 178.31 177.59 1ckk h ARG 90 N 0.40 0.46 -0.45 1.11 9.65 -0.39 0.52 114.38 125.69 1ckk h ARG 90 Ca 0.08 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 1ckk h ARG 90 Cb 0.58 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1ckk h ARG 90 CO 0.03 0.31 -0.12 0.28 2.80 0.00 0.00 179.97 183.27 1ckk h VAL 91 N 0.48 1.27 -0.03 0.20 2.07 -1.04 -3.01 116.25 116.19 1ckk h VAL 91 Ca 0.47 -1.24 -0.18 0.00 0.82 0.00 0.00 66.70 66.57 1ckk h VAL 91 Cb 1.08 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1ckk h VAL 91 CO -0.20 0.43 -0.76 -0.26 0.02 0.00 0.00 177.57 176.80 1ckk h PHE 92 N 0.72 0.35 -0.14 1.57 0.04 -0.43 -3.30 116.94 115.75 1ckk h PHE 92 Ca 0.11 -0.16 -0.60 0.00 2.80 0.00 0.00 57.97 60.12 1ckk h PHE 92 Cb 0.67 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 1ckk h PHE 92 CO 0.05 0.91 2.95 -3.47 -0.60 0.00 0.00 178.31 178.16 1ckk n ASP 93 N -3.76 8.09 -0.30 2.17 2.03 0.15 -4.63 116.55 120.30 1ckk n ASP 93 Ca -0.03 -2.63 -0.08 0.00 0.52 0.00 0.00 54.79 52.57 1ckk n ASP 93 Cb 0.72 -1.51 -0.07 0.00 -0.72 0.00 0.00 41.12 39.54 1ckk n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ckk n LYS 94 N 3.16 -0.31 -0.15 -0.67 0.00 -1.24 -0.41 118.16 118.54 1ckk n LYS 94 Ca 0.71 1.34 -0.08 0.00 0.00 0.00 0.00 58.31 60.28 1ckk n LYS 94 Cb 0.35 -1.97 0.07 0.00 0.00 0.00 0.00 35.03 33.48 1ckk n LYS 94 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1ckk h ASP 95 N 0.00 0.91 -1.84 3.14 2.03 -1.92 -3.48 116.42 115.27 1ckk h ASP 95 Ca 0.11 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1ckk h ASP 95 Cb 0.29 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1ckk h ASP 95 CO -0.66 1.01 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 1ckk n GLY 96 N -0.41 0.57 0.01 7.15 0.00 0.46 -4.99 105.19 107.97 1ckk n GLY 96 Ca 0.02 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.76 1ckk n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 97 N -0.92 0.66 0.00 1.61 6.94 -1.26 -4.95 115.26 117.34 1ckk n ASN 97 Ca 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 54.58 53.95 1ckk n ASN 97 Cb 0.41 1.25 0.00 0.00 -2.36 0.00 0.00 39.78 39.08 1ckk n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 98 N 1.42 1.32 3.41 4.83 0.00 -1.26 -5.10 105.19 109.81 1ckk n GLY 98 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ckk n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckk s TYR 99 N -2.00 -0.49 -0.06 1.61 2.02 -1.26 -4.46 117.35 112.71 1ckk s TYR 99 Ca 0.00 0.42 0.06 0.00 -0.37 0.00 0.00 57.07 57.18 1ckk s TYR 99 Cb 0.00 0.45 -0.01 0.00 -0.40 0.00 0.00 41.96 42.00 1ckk s TYR 99 CO 0.00 -0.75 -0.25 0.42 -1.57 0.00 0.00 175.55 173.40 1ckk s ILE 100 N -3.10 2.05 0.18 2.71 1.01 0.11 -4.80 121.20 119.36 1ckk s ILE 100 Ca -0.02 -1.07 0.11 0.00 0.00 0.00 0.00 60.65 59.67 1ckk s ILE 100 Cb -0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1ckk s ILE 100 CO -0.07 0.57 -0.23 -0.94 0.00 0.00 0.00 174.94 174.27 1ckk s SER 101 N -0.16 3.27 0.46 3.58 1.04 -1.26 0.50 113.70 121.12 1ckk s SER 101 Ca -0.04 -0.85 0.28 0.00 0.48 0.00 0.00 55.95 55.82 1ckk s SER 101 Cb -0.14 -0.23 1.35 0.00 0.10 0.00 0.00 66.02 67.10 1ckk s SER 101 CO 0.04 0.10 1.74 0.00 0.98 0.00 0.00 173.24 176.09 1ckk h ALA 102 N 3.28 2.70 -0.63 5.32 0.00 -1.93 0.51 119.26 128.51 1ckk h ALA 102 Ca -0.46 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1ckk h ALA 102 Cb 1.20 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1ckk h ALA 102 CO 0.48 -1.15 0.15 0.00 0.00 0.00 0.00 179.25 178.73 1ckk h ALA 103 N 1.52 0.83 -0.24 0.00 0.00 -1.96 -1.66 119.26 117.75 1ckk h ALA 103 Ca 0.66 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ckk h ALA 103 Cb 2.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1ckk h ALA 103 CO -0.22 0.54 0.14 0.93 0.00 0.00 0.00 179.25 180.63 1ckk h GLU 104 N 0.92 0.32 -0.52 0.00 5.08 -0.30 -2.14 114.58 117.94 1ckk h GLU 104 Ca 0.20 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1ckk h GLU 104 Cb 0.35 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1ckk h GLU 104 CO 0.00 0.26 0.26 -0.07 -1.00 0.00 0.00 179.01 178.46 1ckk h LEU 105 N 0.29 0.64 -0.77 1.33 3.38 -1.31 -1.72 115.31 117.16 1ckk h LEU 105 Ca 0.08 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1ckk h LEU 105 Cb 0.02 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 1ckk h LEU 105 CO -0.02 0.55 0.43 -0.09 0.09 0.00 0.00 178.44 179.40 1ckk h ARG 106 N 0.72 0.74 0.76 1.13 2.43 -0.65 0.34 114.38 119.86 1ckk h ARG 106 Ca 0.18 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1ckk h ARG 106 Cb 0.07 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1ckk h ARG 106 CO -0.03 0.49 -0.38 0.45 -1.51 0.00 0.00 179.97 178.99 1ckk h HIS 107 N 0.76 -1.00 0.00 2.20 3.86 -0.97 -1.81 115.15 118.19 1ckk h HIS 107 Ca 0.36 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1ckk h HIS 107 Cb 0.27 0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 1ckk h HIS 107 CO -0.07 -0.61 -0.01 0.28 0.86 0.00 0.00 177.93 178.38 1ckk h VAL 108 N -1.05 0.19 0.40 2.45 2.07 -1.22 -2.88 116.25 116.21 1ckk h VAL 108 Ca -0.10 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1ckk h VAL 108 Cb 0.81 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1ckk h VAL 108 CO 0.16 0.01 -0.19 0.24 0.02 0.00 0.00 177.57 177.80 1ckk h MET 109 N 0.00 -0.52 0.00 1.57 2.07 0.54 -2.35 114.93 116.24 1ckk h MET 109 Ca -0.00 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1ckk h MET 109 Cb 0.04 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 1ckk h MET 109 CO 0.00 -0.34 0.00 2.41 1.07 0.00 0.00 176.91 180.05 1ckk n THR 110 N -3.74 1.51 1.17 2.22 -1.04 -1.08 -1.32 114.28 112.01 1ckk n THR 110 Ca -0.07 0.38 0.12 0.00 -2.04 0.00 0.00 64.05 62.45 1ckk n THR 110 Cb 0.21 -1.28 0.23 0.00 -1.82 0.00 0.00 70.33 67.68 1ckk n THR 110 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ckk n ASN 111 N -1.47 2.14 0.00 8.00 4.13 -1.07 -4.33 115.26 122.66 1ckk n ASN 111 Ca 0.02 -1.62 0.00 0.00 1.68 0.00 0.00 54.58 54.65 1ckk n ASN 111 Cb 0.06 0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ckk n LEU 112 N 0.50 0.33 0.00 3.41 4.77 -0.43 -4.53 117.00 121.05 1ckk n LEU 112 Ca 0.14 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1ckk n LEU 112 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ckk n LEU 112 CO 0.19 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1ckk n GLY 113 N 0.01 -0.57 2.63 -0.72 0.00 -0.93 -5.05 105.19 100.55 1ckk n GLY 113 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1ckk n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ckk n GLU 114 N 0.00 1.05 -0.16 1.61 0.00 -1.24 -4.75 120.64 117.16 1ckk n GLU 114 Ca 0.00 -2.57 0.05 0.00 0.00 0.00 0.00 57.16 54.64 1ckk n GLU 114 Cb 0.00 0.55 0.07 0.00 0.00 0.00 0.00 31.44 32.05 1ckk n GLU 114 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1ckk n LYS 115 N -1.08 1.13 -0.88 3.44 2.85 -1.26 -3.40 118.16 118.95 1ckk n LYS 115 Ca -0.10 -1.78 0.10 0.00 -1.05 0.00 0.00 58.31 55.47 1ckk n LYS 115 Cb 0.45 -1.06 -0.03 0.00 -0.65 0.00 0.00 35.03 33.74 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckk n LEU 116 N -0.77 -0.41 0.00 -5.58 4.32 -1.26 -4.86 117.00 108.44 1ckk n LEU 116 Ca 0.08 0.93 0.00 0.00 -0.02 0.00 0.00 56.01 57.00 1ckk n LEU 116 Cb 0.57 -2.85 0.00 0.00 -1.62 0.00 0.00 43.42 39.52 1ckk n LEU 116 CO 0.00 -1.79 0.00 0.41 -1.22 0.00 0.00 177.39 174.80 1ckk n THR 117 N -2.83 0.00 -0.07 -5.08 -1.04 -1.26 -4.87 114.28 99.13 1ckk n THR 117 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.88 1ckk n THR 117 Cb 0.59 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.39 1ckk n THR 117 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ckk h ASP 118 N 0.00 0.00 -0.82 8.00 3.58 -1.99 -2.59 116.42 122.61 1ckk h ASP 118 Ca 0.00 -0.77 -0.01 0.00 0.42 0.00 0.00 57.03 56.67 1ckk h ASP 118 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1ckk h ASP 118 CO 0.00 0.94 0.48 -0.33 -2.88 0.00 0.00 179.24 177.45 1ckk h GLU 119 N -1.00 1.12 -0.50 0.28 5.08 -1.98 -0.63 114.58 116.94 1ckk h GLU 119 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1ckk h GLU 119 Cb 0.83 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1ckk h GLU 119 CO -0.01 0.80 0.25 1.49 -1.00 0.00 0.00 179.01 180.53 1ckk h GLU 120 N 1.12 0.72 -0.32 2.33 4.57 -1.95 0.45 114.58 121.49 1ckk h GLU 120 Ca 0.29 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 1ckk h GLU 120 Cb -0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1ckk h GLU 120 CO -0.05 0.59 0.16 0.28 -1.18 0.00 0.00 179.01 178.81 1ckk h VAL 121 N 0.66 1.15 -0.62 0.32 2.07 -1.01 0.81 116.25 119.64 1ckk h VAL 121 Ca 0.17 -0.41 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1ckk h VAL 121 Cb 0.10 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1ckk h VAL 121 CO -0.02 0.15 0.01 -0.78 0.02 0.00 0.00 177.57 176.95 1ckk h ASP 122 N 0.39 1.06 -0.11 0.57 3.58 -0.84 -2.48 116.42 118.59 1ckk h ASP 122 Ca 0.11 -0.30 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 1ckk h ASP 122 Cb 0.09 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1ckk h ASP 122 CO -0.02 1.10 -0.08 -0.33 -2.88 0.00 0.00 179.24 177.03 1ckk h GLU 123 N 0.98 0.41 -0.59 0.28 5.08 0.23 0.26 114.58 121.24 1ckk h GLU 123 Ca 0.18 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1ckk h GLU 123 Cb 0.55 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1ckk h GLU 123 CO 0.03 0.51 0.12 1.98 -1.00 0.00 0.00 179.01 180.65 1ckk h MET 124 N 0.39 0.96 0.00 2.33 4.05 -0.40 -1.75 114.93 120.50 1ckk h MET 124 Ca 0.08 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1ckk h MET 124 Cb 0.39 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1ckk h MET 124 CO 0.02 0.89 -0.39 0.82 0.23 0.00 0.00 176.91 178.48 1ckk h ILE 125 N 0.86 0.00 0.01 1.77 1.08 -1.11 -3.30 117.51 116.82 1ckk h ILE 125 Ca 0.18 -0.76 -0.26 0.00 -0.39 0.00 0.00 64.86 63.63 1ckk h ILE 125 Cb 0.38 1.54 0.02 0.00 -3.07 0.00 0.00 36.82 35.69 1ckk h ILE 125 CO 0.01 0.00 -1.05 -0.09 -0.69 0.00 0.00 178.15 176.33 1ckk h ARG 126 N 0.00 0.66 0.00 2.37 1.12 -0.14 -0.70 114.38 117.70 1ckk h ARG 126 Ca 0.00 -0.73 -0.03 0.00 -1.11 0.00 0.00 59.98 58.11 1ckk h ARG 126 Cb 0.88 0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1ckk h ARG 126 CO 0.00 1.31 -0.16 1.49 -3.11 0.00 0.00 179.97 179.50 1ckk h GLU 127 N 0.37 0.00 0.00 0.20 4.81 -1.42 -3.00 114.58 115.54 1ckk h GLU 127 Ca -0.13 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1ckk h GLU 127 Cb 1.70 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.05 1ckk h GLU 127 CO 0.20 0.16 -1.83 0.00 -0.73 0.00 0.00 179.01 176.81 1ckk n ALA 128 N -2.22 2.13 -2.19 2.92 0.00 -1.19 -4.70 120.51 115.26 1ckk n ALA 128 Ca -0.00 -0.73 -0.32 0.00 0.00 0.00 0.00 53.44 52.39 1ckk n ALA 128 Cb 0.35 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1ckk n ALA 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ckk s ASP 129 N -5.28 5.46 0.37 0.00 1.01 -0.27 -4.65 116.67 113.31 1ckk s ASP 129 Ca -0.06 -1.82 0.22 0.00 0.71 0.00 0.00 52.55 51.60 1ckk s ASP 129 Cb 0.10 -2.59 0.23 0.00 1.01 0.00 0.00 42.92 41.67 1ckk s ASP 129 CO 0.85 -2.62 1.46 0.40 0.21 0.00 0.00 175.17 175.46 1ckk h ILE 130 N 6.08 0.10 0.00 0.77 2.04 -1.84 -3.22 117.51 121.44 1ckk h ILE 130 Ca 0.27 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1ckk h ILE 130 Cb 0.93 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1ckk h ILE 130 CO 1.28 0.06 -0.99 -0.90 0.00 0.00 0.00 178.15 177.60 1ckk n ASP 131 N -3.02 0.63 -2.50 1.72 5.68 -1.26 -5.02 116.55 112.77 1ckk n ASP 131 Ca 0.03 -0.30 -0.05 0.00 -0.50 0.00 0.00 54.79 53.96 1ckk n ASP 131 Cb 0.56 0.79 0.01 0.00 -1.14 0.00 0.00 41.12 41.34 1ckk n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 132 N 1.39 -1.42 0.00 6.12 0.00 -1.22 -4.99 105.19 105.08 1ckk n GLY 132 Ca 0.02 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.91 1ckk n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 133 N -0.27 0.05 -0.18 1.61 5.75 -1.26 -4.98 116.55 117.27 1ckk n ASP 133 Ca 0.08 -1.02 -0.02 0.00 -0.01 0.00 0.00 54.79 53.82 1ckk n ASP 133 Cb 0.31 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.39 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 134 N -0.01 0.55 3.62 6.12 0.00 -1.26 -4.96 105.19 109.25 1ckk n GLY 134 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1ckk n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 135 N -1.35 1.15 0.41 1.61 -0.21 -1.26 -4.60 119.66 115.42 1ckk s GLN 135 Ca 0.00 -0.54 0.08 0.00 0.02 0.00 0.00 55.36 54.92 1ckk s GLN 135 Cb 0.00 0.45 -0.02 0.00 1.00 0.00 0.00 33.01 34.45 1ckk s GLN 135 CO 0.00 -0.52 0.38 0.08 -2.12 0.00 0.00 175.29 173.12 1ckk s VAL 136 N -3.39 2.72 0.45 1.09 1.01 0.18 -4.80 120.40 117.66 1ckk s VAL 136 Ca 0.07 -1.33 0.03 0.00 0.00 0.00 0.00 61.98 60.76 1ckk s VAL 136 Cb -0.02 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1ckk s VAL 136 CO -0.04 -0.01 0.12 0.21 0.00 0.00 0.00 175.10 175.38 1ckk s ASN 137 N -4.14 3.16 0.05 3.32 3.84 -1.26 0.07 114.94 119.98 1ckk s ASN 137 Ca 0.48 -1.73 -0.30 0.00 0.21 0.00 0.00 52.86 51.52 1ckk s ASN 137 Cb -0.04 0.62 -0.18 0.00 -0.55 0.00 0.00 41.25 41.11 1ckk s ASN 137 CO 0.28 -0.98 1.46 0.22 -2.79 0.00 0.00 177.10 175.29 1ckk h TYR 138 N 1.63 -0.70 -0.50 0.43 3.20 -1.98 -2.71 116.97 116.35 1ckk h TYR 138 Ca -0.36 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.55 1ckk h TYR 138 Cb 1.29 0.23 -0.09 0.00 1.54 0.00 0.00 36.73 39.70 1ckk h TYR 138 CO 1.70 -0.39 -0.55 0.93 -1.64 0.00 0.00 178.16 178.22 1ckk h GLU 139 N -0.88 -0.30 -0.85 1.82 5.08 -1.97 0.15 114.58 117.63 1ckk h GLU 139 Ca -0.08 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.52 1ckk h GLU 139 Cb 0.62 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.79 1ckk h GLU 139 CO 0.13 -0.20 0.09 0.93 -1.00 0.00 0.00 179.01 178.95 1ckk h GLU 140 N -0.31 0.11 -0.16 2.33 5.08 -1.93 2.38 114.58 122.08 1ckk h GLU 140 Ca 0.09 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1ckk h GLU 140 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1ckk h GLU 140 CO -0.64 0.07 0.12 0.35 -1.00 0.00 0.00 179.01 177.92 1ckk h PHE 141 N 0.12 0.00 0.00 4.33 3.04 -0.39 -1.35 116.94 122.69 1ckk h PHE 141 Ca 0.50 0.00 -0.37 0.00 3.98 0.00 0.00 57.97 62.08 1ckk h PHE 141 Cb 0.98 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.42 1ckk h PHE 141 CO -0.39 0.00 -2.40 0.28 -2.02 0.00 0.00 178.31 173.79 1ckk n VAL 142 N -4.33 1.40 0.70 1.41 0.31 0.47 -3.83 118.33 114.46 1ckk n VAL 142 Ca 0.01 -0.73 0.09 0.00 -0.01 0.00 0.00 64.34 63.70 1ckk n VAL 142 Cb 0.25 -0.83 0.42 0.00 -0.91 0.00 0.00 33.84 32.77 1ckk n VAL 142 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ckk n GLN 143 N -2.93 0.04 -0.01 5.55 -0.06 0.69 -2.08 117.38 118.58 1ckk n GLN 143 Ca -0.37 0.16 0.07 0.00 -2.00 0.00 0.00 57.00 54.86 1ckk n GLN 143 Cb 1.08 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 25.65 1ckk n GLN 143 CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 1ckk n MET 144 N -1.47 0.70 -0.12 3.69 2.81 -0.53 -4.61 117.12 117.59 1ckk n MET 144 Ca 0.05 -0.12 -0.20 0.00 -1.81 0.00 0.00 57.70 55.62 1ckk n MET 144 Cb 0.22 -1.33 -0.07 0.00 -0.71 0.00 0.00 33.22 31.33 1ckk n MET 144 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1ckk n MET 145 N -1.92 0.56 -3.26 0.03 0.00 -1.15 -4.95 117.12 106.43 1ckk n MET 145 Ca -0.02 0.24 -0.05 0.00 -0.00 0.00 0.00 57.70 57.87 1ckk n MET 145 Cb 0.36 -1.47 -0.03 0.00 0.00 0.00 0.00 33.22 32.08 1ckk n MET 145 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1ckk s THR 146 N -2.69 -0.77 -0.45 1.12 -1.32 -0.88 -5.02 115.64 105.62 1ckk s THR 146 Ca -0.34 -0.35 -0.06 0.00 -1.21 0.00 0.00 61.69 59.73 1ckk s THR 146 Cb 0.10 -0.24 -0.16 0.00 -1.51 0.00 0.00 72.50 70.69 1ckk s THR 146 CO 0.46 -0.20 2.74 0.00 -2.21 0.00 0.00 174.62 175.42 1ckk n ALA 147 N 4.36 5.44 -0.82 11.08 0.00 -1.19 -4.79 120.51 134.60 1ckk n ALA 147 Ca 0.11 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.68 1ckk n ALA 147 Cb 0.53 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.36 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13