#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 -4.53 0.00 -0.08 -1.26 -5.09 116.55 105.59 1ckk n ASP 2 Ca 0.00 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.84 1ckk n ASP 2 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk n GLN 3 N 0.00 1.36 -1.62 -0.67 6.02 -1.26 -4.85 117.38 116.35 1ckk n GLN 3 Ca 0.00 0.31 -0.48 0.00 -0.01 0.00 0.00 57.00 56.81 1ckk n GLN 3 Cb 0.00 -2.93 -0.04 0.00 1.02 0.00 0.00 30.24 28.29 1ckk n GLN 3 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1ckk n LEU 4 N 11.94 2.26 -3.34 1.08 0.00 -1.26 -4.96 117.00 122.71 1ckk n LEU 4 Ca 0.37 1.12 -0.09 0.00 0.00 0.00 0.00 56.01 57.41 1ckk n LEU 4 Cb 0.37 -1.30 -0.08 0.00 0.00 0.00 0.00 43.42 42.41 1ckk n LEU 4 CO 0.72 -0.81 -0.06 0.42 0.00 0.00 0.00 177.39 177.65 1ckk s THR 5 N 0.31 -0.60 0.00 1.96 -4.23 -1.26 -5.04 115.64 106.77 1ckk s THR 5 Ca 0.77 -0.13 -0.25 0.00 -1.18 0.00 0.00 61.69 60.90 1ckk s THR 5 Cb -0.80 -0.86 -0.17 0.00 1.34 0.00 0.00 72.50 72.01 1ckk s THR 5 CO 0.47 -0.17 1.27 -0.08 -0.54 0.00 0.00 174.62 175.56 1ckk h GLU 6 N 8.18 -0.23 0.00 3.99 4.57 -1.99 -2.68 114.58 126.42 1ckk h GLU 6 Ca -0.17 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1ckk h GLU 6 Cb 1.14 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1ckk h GLU 6 CO 0.27 0.11 0.00 -1.91 -1.18 0.00 0.00 179.01 176.31 1ckk n GLU 7 N -5.03 0.00 -0.12 1.92 0.00 -1.26 -0.50 120.64 115.65 1ckk n GLU 7 Ca -0.09 0.90 -0.12 0.00 0.00 0.00 0.00 57.16 57.86 1ckk n GLU 7 Cb 0.24 -1.49 -0.07 0.00 0.00 0.00 0.00 31.44 30.12 1ckk n GLU 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1ckk h GLN 8 N 0.00 -0.36 -0.76 5.31 4.20 -2.01 -0.63 115.11 120.87 1ckk h GLN 8 Ca 0.00 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.89 1ckk h GLN 8 Cb 0.00 0.08 -0.15 0.00 0.30 0.00 0.00 27.48 27.72 1ckk h GLN 8 CO 0.00 -0.24 -0.19 0.82 -0.67 0.00 0.00 178.83 178.55 1ckk h ILE 9 N -0.37 0.23 -0.44 2.54 2.04 -1.05 0.85 117.51 121.32 1ckk h ILE 9 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.06 1ckk h ILE 9 Cb 0.60 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.82 1ckk h ILE 9 CO -0.58 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.39 1ckk h ALA 10 N 1.76 0.17 -0.69 1.87 0.00 0.81 -0.20 119.26 122.99 1ckk h ALA 10 Ca 0.37 0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.57 1ckk h ALA 10 Cb 0.56 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1ckk h ALA 10 CO -0.79 -0.53 0.22 1.49 0.00 0.00 0.00 179.25 179.65 1ckk h GLU 11 N -0.09 0.35 -0.67 0.00 4.22 -0.51 -0.32 114.58 117.57 1ckk h GLU 11 Ca 0.21 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.71 1ckk h GLU 11 Cb 0.42 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1ckk h GLU 11 CO -0.50 0.23 0.33 0.74 -2.18 0.00 0.00 179.01 177.63 1ckk h PHE 12 N 0.36 0.59 -0.33 0.92 0.04 -0.64 -1.84 116.94 116.04 1ckk h PHE 12 Ca 0.37 0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.23 1ckk h PHE 12 Cb 0.56 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.48 1ckk h PHE 12 CO -0.20 0.23 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.45 1ckk h LYS 13 N 0.58 0.02 -0.55 1.51 3.11 -0.56 -0.67 116.57 120.01 1ckk h LYS 13 Ca 0.32 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 58.26 1ckk h LYS 13 Cb 0.31 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.46 1ckk h LYS 13 CO -0.25 0.01 0.11 0.93 -2.81 0.00 0.00 179.45 177.45 1ckk h GLU 14 N 0.02 0.23 -0.33 1.90 4.39 -1.06 -0.39 114.58 119.35 1ckk h GLU 14 Ca 0.16 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ckk h GLU 14 Cb 0.24 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1ckk h GLU 14 CO -0.33 0.15 0.20 0.00 -1.16 0.00 0.00 179.01 177.88 1ckk h ALA 15 N 1.44 0.42 -0.53 3.43 0.00 -0.93 -0.76 119.26 122.33 1ckk h ALA 15 Ca 0.29 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ckk h ALA 15 Cb 0.41 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ckk h ALA 15 CO -0.37 -0.08 0.29 0.35 0.00 0.00 0.00 179.25 179.43 1ckk h PHE 16 N 0.42 0.53 0.00 0.00 3.57 -0.19 0.21 116.94 121.49 1ckk h PHE 16 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ckk h PHE 16 Cb 0.02 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1ckk h PHE 16 CO -0.04 0.27 0.00 1.03 -2.23 0.00 0.00 178.31 177.35 1ckk h SER 17 N 0.56 0.00 0.28 0.41 0.87 -0.79 -2.70 113.55 112.18 1ckk h SER 17 Ca 0.23 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1ckk h SER 17 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1ckk h SER 17 CO -0.14 0.00 -0.13 0.25 -0.53 0.00 0.00 176.83 176.28 1ckk h LEU 18 N 0.00 -0.31 -0.22 2.23 6.46 0.57 -3.09 115.31 120.94 1ckk h LEU 18 Ca 0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1ckk h LEU 18 Cb 0.44 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1ckk h LEU 18 CO 0.00 0.14 0.00 0.49 -0.62 0.00 0.00 178.44 178.45 1ckk n PHE 19 N -5.06 0.35 -2.82 1.25 3.72 -1.08 -3.91 117.46 109.91 1ckk n PHE 19 Ca -0.09 0.13 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 1ckk n PHE 19 Cb 0.26 -0.71 0.01 0.00 -0.94 0.00 0.00 39.48 38.10 1ckk n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ckk n ASP 20 N -1.81 6.19 0.00 4.37 2.03 -1.02 -4.40 116.55 121.91 1ckk n ASP 20 Ca 0.04 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.99 1ckk n ASP 20 Cb 0.24 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1ckk n ASP 20 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ckk n LYS 21 N 1.83 0.00 -0.33 -0.67 4.76 -1.25 -0.60 118.16 121.89 1ckk n LYS 21 Ca 0.30 0.88 0.10 0.00 -2.87 0.00 0.00 58.31 56.72 1ckk n LYS 21 Cb 0.33 -1.44 0.27 0.00 -1.84 0.00 0.00 35.03 32.35 1ckk n LYS 21 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1ckk h ASP 22 N 0.00 0.68 -1.30 4.39 2.03 -1.93 -3.46 116.42 116.82 1ckk h ASP 22 Ca 0.00 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 1ckk h ASP 22 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1ckk h ASP 22 CO 0.00 0.27 0.00 0.61 -1.03 0.00 0.00 179.24 179.09 1ckk n GLY 23 N -1.33 0.62 1.04 7.15 0.00 0.23 -4.98 105.19 107.93 1ckk n GLY 23 Ca 0.20 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.89 1ckk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 24 N -0.14 3.36 -0.22 1.61 5.75 -1.26 -4.93 116.55 120.71 1ckk n ASP 24 Ca 0.00 -1.95 -0.02 0.00 -0.01 0.00 0.00 54.79 52.81 1ckk n ASP 24 Cb 0.39 -0.28 -0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 25 N 1.27 0.32 3.10 6.12 0.00 -1.26 -5.02 105.19 109.71 1ckk n GLY 25 Ca 0.18 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.12 -0.91 -0.11 2.61 -4.23 -1.21 -4.43 115.64 105.23 1ckk s THR 26 Ca 0.00 -0.05 -0.29 0.00 -1.18 0.00 0.00 61.69 60.17 1ckk s THR 26 Cb -0.00 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 1ckk s THR 26 CO 0.00 -0.05 0.98 -0.63 -0.54 0.00 0.00 174.62 174.38 1ckk s ILE 27 N 2.77 4.80 0.34 2.99 1.01 -0.69 -4.75 121.20 127.68 1ckk s ILE 27 Ca 0.14 1.99 0.07 0.00 0.00 0.00 0.00 60.65 62.84 1ckk s ILE 27 Cb -0.12 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 1ckk s ILE 27 CO -0.24 0.02 0.48 0.42 0.00 0.00 0.00 174.94 175.61 1ckk s THR 28 N 1.96 3.95 0.25 2.92 -4.23 -1.26 -2.56 115.64 116.67 1ckk s THR 28 Ca 0.47 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1ckk s THR 28 Cb -0.18 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.52 1ckk s THR 28 CO 0.18 -0.14 1.84 0.71 -0.54 0.00 0.00 174.62 176.67 1ckk h THR 29 N 0.87 1.00 0.29 3.99 1.35 -1.95 -2.29 112.91 116.17 1ckk h THR 29 Ca -0.45 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1ckk h THR 29 Cb 1.26 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1ckk h THR 29 CO 0.52 0.17 -0.14 0.50 -0.25 0.00 0.00 175.52 176.32 1ckk h LYS 30 N 0.94 -0.38 0.03 4.72 3.64 -1.98 0.29 116.57 123.83 1ckk h LYS 30 Ca 0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1ckk h LYS 30 Cb 0.24 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1ckk h LYS 30 CO -0.20 -0.18 -0.07 0.93 -2.27 0.00 0.00 179.45 177.66 1ckk h GLU 31 N -0.49 -0.10 -1.03 1.90 5.08 -1.82 0.96 114.58 119.08 1ckk h GLU 31 Ca -0.04 0.01 0.28 0.00 -1.00 0.00 0.00 59.36 58.61 1ckk h GLU 31 Cb 0.37 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1ckk h GLU 31 CO 0.07 -0.07 0.71 1.25 -1.00 0.00 0.00 179.01 179.97 1ckk h LEU 32 N -0.10 0.18 0.34 1.33 5.85 -1.49 -0.10 115.31 121.32 1ckk h LEU 32 Ca -0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1ckk h LEU 32 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1ckk h LEU 32 CO -0.03 0.04 -0.16 1.23 -0.34 0.00 0.00 178.44 179.18 1ckk h GLY 33 N 0.16 -0.48 -0.19 3.75 0.00 0.48 -0.93 103.07 105.87 1ckk h GLY 33 Ca 0.53 0.18 0.16 0.00 0.00 0.00 0.00 47.33 48.19 1ckk h GLY 33 CO -0.11 -0.17 0.06 -0.84 0.00 0.00 0.00 176.54 175.47 1ckk h THR 34 N -0.61 0.44 0.14 4.70 2.02 0.11 0.44 112.91 120.15 1ckk h THR 34 Ca -0.05 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1ckk h THR 34 Cb 0.44 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1ckk h THR 34 CO 0.08 0.03 -0.07 0.58 0.37 0.00 0.00 175.52 176.51 1ckk h VAL 35 N 0.16 0.88 -0.98 3.16 2.07 -1.26 -2.24 116.25 118.04 1ckk h VAL 35 Ca 0.39 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.86 1ckk h VAL 35 Cb 0.67 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1ckk h VAL 35 CO -0.58 0.03 0.64 0.24 0.02 0.00 0.00 177.57 177.92 1ckk h MET 36 N -0.24 1.14 -0.55 1.57 2.86 0.31 -0.81 114.93 119.21 1ckk h MET 36 Ca -0.02 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1ckk h MET 36 Cb 0.19 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1ckk h MET 36 CO 0.03 0.76 0.37 0.00 1.06 0.00 0.00 176.91 179.12 1ckk h ARG 37 N 1.18 0.61 -0.09 1.72 2.47 0.23 -2.50 114.38 118.00 1ckk h ARG 37 Ca 0.41 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.07 1ckk h ARG 37 Cb 0.11 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1ckk h ARG 37 CO -0.15 0.41 -0.04 0.77 0.56 0.00 0.00 179.97 181.52 1ckk h SER 38 N 0.63 0.20 -0.84 7.04 0.02 -0.57 -2.81 113.55 117.22 1ckk h SER 38 Ca 0.22 -0.40 0.24 0.00 -0.84 0.00 0.00 61.79 61.01 1ckk h SER 38 Cb 0.10 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1ckk h SER 38 CO -0.06 0.55 0.97 -0.07 -1.14 0.00 0.00 176.83 177.09 1ckk h LEU 39 N -0.16 0.00 0.00 5.07 3.38 -1.10 -3.43 115.31 119.07 1ckk h LEU 39 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ckk h LEU 39 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ckk h LEU 39 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1ckk n GLY 40 N -1.64 0.74 0.00 0.83 0.00 -1.06 -4.98 105.19 99.07 1ckk n GLY 40 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ckk n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ckk n GLN 41 N 0.00 0.00 -3.32 1.61 10.64 -1.24 -5.07 117.38 120.01 1ckk n GLN 41 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1ckk n GLN 41 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1ckk n GLN 41 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1ckk s ASN 42 N 0.83 0.41 -0.16 2.61 2.47 -1.26 -4.47 114.94 115.37 1ckk s ASN 42 Ca 0.00 -0.27 -0.29 0.00 0.42 0.00 0.00 52.86 52.72 1ckk s ASN 42 Cb 0.00 1.08 -0.02 0.00 -1.45 0.00 0.00 41.25 40.86 1ckk s ASN 42 CO 0.00 -0.34 1.35 -2.16 -3.72 0.00 0.00 177.10 172.23 1ckk s PRO 43 N 2.54 4.17 0.58 0.43 0.04 -1.26 -5.01 135.00 136.49 1ckk s PRO 43 Ca 0.10 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.70 1ckk s PRO 43 Cb -0.13 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.54 1ckk s PRO 43 CO -0.27 -0.80 1.04 0.99 0.04 0.00 0.00 177.00 177.99 1ckk s THR 44 N 3.77 4.05 0.00 1.26 2.01 -1.26 -4.78 115.64 120.70 1ckk s THR 44 Ca 0.59 0.94 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 1ckk s THR 44 Cb -0.23 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.78 1ckk s THR 44 CO 0.19 -0.61 1.02 -0.33 -0.69 0.00 0.00 174.62 174.20 1ckk h GLU 45 N 0.43 -0.01 -0.56 4.92 5.08 -2.00 0.83 114.58 123.27 1ckk h GLU 45 Ca -0.46 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.00 1ckk h GLU 45 Cb 1.21 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 1ckk h GLU 45 CO 0.59 -0.01 0.10 0.00 -1.00 0.00 0.00 179.01 178.68 1ckk h ALA 46 N -1.24 0.64 -0.51 3.43 0.00 -2.00 -1.89 119.26 117.69 1ckk h ALA 46 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1ckk h ALA 46 Cb 0.02 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1ckk h ALA 46 CO -0.02 -0.32 -0.38 0.93 0.00 0.00 0.00 179.25 179.45 1ckk h GLU 47 N 0.22 -0.23 -0.99 0.00 5.08 -1.65 0.25 114.58 117.27 1ckk h GLU 47 Ca 0.29 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.80 1ckk h GLU 47 Cb 0.43 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 1ckk h GLU 47 CO -0.39 -0.15 0.61 -0.07 -1.00 0.00 0.00 179.01 178.00 1ckk h LEU 48 N -0.24 0.87 -1.31 1.33 3.38 -0.07 0.80 115.31 120.07 1ckk h LEU 48 Ca 0.18 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ckk h LEU 48 Cb 0.56 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1ckk h LEU 48 CO -0.63 0.43 0.10 -0.61 0.09 0.00 0.00 178.44 177.82 1ckk h GLN 49 N 0.92 0.57 -0.66 1.13 5.75 -0.20 -0.51 115.11 122.13 1ckk h GLN 49 Ca 0.51 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.86 1ckk h GLN 49 Cb 0.58 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1ckk h GLN 49 CO -0.30 0.52 0.19 -0.44 -2.65 0.00 0.00 178.83 176.16 1ckk h ASP 50 N 0.56 0.97 -0.07 -0.69 3.32 0.62 -0.09 116.42 121.05 1ckk h ASP 50 Ca 0.13 -0.22 -0.22 0.00 0.02 0.00 0.00 57.03 56.75 1ckk h ASP 50 Cb 0.20 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ckk h ASP 50 CO -0.00 0.93 -0.80 0.24 -1.72 0.00 0.00 179.24 177.89 1ckk h MET 51 N 0.96 0.66 0.00 3.56 2.86 -1.08 -3.06 114.93 118.83 1ckk h MET 51 Ca 0.21 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 1ckk h MET 51 Cb 0.32 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ckk h MET 51 CO -0.00 1.23 0.00 -0.89 1.06 0.00 0.00 176.91 178.30 1ckk n ILE 52 N -4.00 0.79 0.29 -1.22 -0.00 -0.24 -2.28 119.36 112.70 1ckk n ILE 52 Ca -0.09 0.17 0.12 0.00 -0.00 0.00 0.00 62.75 62.94 1ckk n ILE 52 Cb 0.76 -1.10 0.16 0.00 -0.00 0.00 0.00 39.64 39.46 1ckk n ILE 52 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 1ckk h ASN 53 N 0.00 0.00 0.00 4.38 -0.26 -0.90 -2.91 115.58 115.89 1ckk h ASN 53 Ca 0.00 -0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1ckk h ASN 53 Cb 0.41 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1ckk h ASN 53 CO 0.00 0.01 -0.10 -0.08 -1.06 0.00 0.00 177.43 176.20 1ckk h GLU 54 N 0.00 0.00 0.00 0.81 4.81 -1.44 -3.32 114.58 115.44 1ckk h GLU 54 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1ckk h GLU 54 Cb 0.93 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1ckk h GLU 54 CO 0.00 0.90 -0.14 0.28 -0.73 0.00 0.00 179.01 179.32 1ckk h VAL 55 N -1.00 0.33 -0.17 0.32 2.07 -1.70 -3.41 116.25 112.69 1ckk h VAL 55 Ca -0.03 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1ckk h VAL 55 Cb 0.93 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1ckk h VAL 55 CO -0.02 0.14 0.50 -0.67 0.02 0.00 0.00 177.57 177.55 1ckk n ASP 56 N -3.24 0.61 0.01 0.57 2.03 -1.10 -4.67 116.55 110.76 1ckk n ASP 56 Ca 0.01 -1.58 -0.18 0.00 0.52 0.00 0.00 54.79 53.56 1ckk n ASP 56 Cb 0.43 -1.35 -0.14 0.00 -0.72 0.00 0.00 41.12 39.34 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckk h ALA 57 N 11.67 -0.05 0.00 -1.67 0.00 -1.90 -3.36 119.26 123.95 1ckk h ALA 57 Ca 0.01 -0.66 -0.20 0.00 0.00 0.00 0.00 54.91 54.06 1ckk h ALA 57 Cb 1.02 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.92 1ckk h ALA 57 CO 1.12 0.29 -0.79 0.38 0.00 0.00 0.00 179.25 180.25 1ckk h ASP 58 N -0.55 0.69 -0.03 0.00 2.03 -1.95 -3.48 116.42 113.12 1ckk h ASP 58 Ca -0.11 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.44 1ckk h ASP 58 Cb 1.46 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1ckk h ASP 58 CO 0.10 1.36 0.00 0.61 -1.03 0.00 0.00 179.24 180.28 1ckk n GLY 59 N 1.08 0.75 0.12 7.15 0.00 -1.26 -5.04 105.19 108.01 1ckk n GLY 59 Ca -0.11 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 0.01 1.64 0.00 1.61 6.94 -1.26 -5.00 115.26 119.19 1ckk n ASN 60 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 1ckk n ASN 60 Cb 0.01 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 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 2.15 0.15 3.22 4.83 0.00 -1.26 -5.13 105.19 109.16 1ckk n GLY 61 Ca -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.12 0.13 0.35 2.61 -4.23 -1.26 -4.86 115.64 107.25 1ckk s THR 62 Ca 0.00 -1.36 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1ckk s THR 62 Cb 0.00 -1.54 -0.08 0.00 1.34 0.00 0.00 72.50 72.22 1ckk s THR 62 CO 0.00 -0.58 0.73 -0.63 -0.54 0.00 0.00 174.62 173.59 1ckk s ILE 63 N -3.91 4.76 0.14 2.99 -1.09 -1.06 -4.75 121.20 118.29 1ckk s ILE 63 Ca 0.10 0.73 0.01 0.00 -2.23 0.00 0.00 60.65 59.25 1ckk s ILE 63 Cb 0.05 -3.67 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1ckk s ILE 63 CO -0.07 -0.32 0.03 0.47 -1.23 0.00 0.00 174.94 173.82 1ckk n ASP 64 N -0.77 1.47 -0.01 3.58 8.00 -1.26 -1.71 116.55 125.86 1ckk n ASP 64 Ca 0.03 -1.72 -0.17 0.00 0.71 0.00 0.00 54.79 53.63 1ckk n ASP 64 Cb 0.53 0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 41.82 1ckk n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1ckk h PHE 65 N 1.18 0.85 0.00 1.24 3.57 -1.98 -3.13 116.94 118.68 1ckk h PHE 65 Ca -0.12 -0.41 -0.06 0.00 3.53 0.00 0.00 57.97 60.91 1ckk h PHE 65 Cb 0.41 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1ckk h PHE 65 CO 0.00 1.22 -0.30 -1.00 -2.23 0.00 0.00 178.31 176.01 1ckk h PRO 66 N 0.24 0.00 -0.08 6.41 0.13 -1.99 -2.71 132.00 134.01 1ckk h PRO 66 Ca -0.07 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 1ckk h PRO 66 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1ckk h PRO 66 CO 0.14 0.30 -0.53 0.93 -0.23 0.00 0.00 178.00 178.61 1ckk h GLU 67 N 0.00 0.22 0.04 0.86 5.08 -1.89 -2.39 114.58 116.50 1ckk h GLU 67 Ca -0.00 -0.13 -0.23 0.00 -1.00 0.00 0.00 59.36 58.00 1ckk h GLU 67 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1ckk h GLU 67 CO 0.04 0.70 -1.00 0.35 -1.00 0.00 0.00 179.01 178.10 1ckk h PHE 68 N 0.17 0.39 0.00 4.33 3.04 -1.46 -2.60 116.94 120.82 1ckk h PHE 68 Ca 0.00 -0.24 -0.09 0.00 3.98 0.00 0.00 57.97 61.62 1ckk h PHE 68 Cb 0.99 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1ckk h PHE 68 CO 0.02 1.10 -0.44 -0.07 -2.02 0.00 0.00 178.31 176.90 1ckk h LEU 69 N 0.12 0.00 0.07 0.59 3.38 -1.35 -2.70 115.31 115.41 1ckk h LEU 69 Ca -0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.57 1ckk h LEU 69 Cb 1.67 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 1ckk h LEU 69 CO 0.16 0.44 -1.79 0.71 0.09 0.00 0.00 178.44 178.05 1ckk h THR 70 N 0.00 0.81 -0.08 0.22 1.35 -1.46 -3.35 112.91 110.40 1ckk h THR 70 Ca -0.00 -2.58 -0.24 0.00 -0.55 0.00 0.00 66.41 63.04 1ckk h THR 70 Cb 0.98 2.50 0.01 0.00 -1.73 0.00 0.00 68.15 69.91 1ckk h THR 70 CO 0.06 0.70 -0.89 -0.03 -0.25 0.00 0.00 175.52 175.11 1ckk h MET 71 N 0.04 0.70 0.00 4.72 -1.53 -1.51 -3.02 114.93 114.33 1ckk h MET 71 Ca -0.33 -0.65 -0.01 0.00 -3.44 0.00 0.00 59.70 55.27 1ckk h MET 71 Cb 2.02 0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 33.23 1ckk h MET 71 CO 0.09 1.25 -0.04 1.98 0.14 0.00 0.00 176.91 180.34 1ckk h MET 72 N 0.44 0.00 -0.00 0.39 -1.53 -1.66 -2.02 114.93 110.55 1ckk h MET 72 Ca -0.08 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1ckk h MET 72 Cb 1.53 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.58 1ckk h MET 72 CO 0.18 0.04 -0.73 0.00 0.14 0.00 0.00 176.91 176.54 1ckk n ALA 73 N -2.17 4.11 -0.02 0.39 0.00 -1.19 -3.50 120.51 118.13 1ckk n ALA 73 Ca -0.02 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.76 1ckk n ALA 73 Cb 0.18 -0.95 -0.14 0.00 0.00 0.00 0.00 19.45 18.55 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 0.15 0.00 0.00 9.65 -1.23 -3.36 114.38 119.69 1ckk h ARG 74 Ca 0.00 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.59 1ckk h ARG 74 Cb 0.51 0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1ckk h ARG 74 CO 0.00 1.12 -0.38 -0.22 2.80 0.00 0.00 179.97 183.30 1ckk h LYS 75 N -0.65 0.00 -2.46 0.20 1.63 -1.74 -3.36 116.57 110.19 1ckk h LYS 75 Ca -0.15 0.00 -0.80 0.00 -0.85 0.00 0.00 60.65 58.84 1ckk h LYS 75 Cb 1.41 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.76 1ckk h LYS 75 CO 0.04 0.11 0.92 -1.33 -3.45 0.00 0.00 179.45 175.74 1ckk n MET 76 N -3.02 5.10 -2.71 1.90 2.81 -1.23 -4.28 117.12 115.68 1ckk n MET 76 Ca 0.02 -4.64 -0.06 0.00 -1.81 0.00 0.00 57.70 51.21 1ckk n MET 76 Cb 0.59 -2.48 0.07 0.00 -0.71 0.00 0.00 33.22 30.69 1ckk n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ckk n LYS 77 N 0.37 0.47 -2.58 0.03 0.00 -1.26 -4.85 118.16 110.33 1ckk n LYS 77 Ca 0.40 -1.23 -0.01 0.00 0.00 0.00 0.00 58.31 57.47 1ckk n LYS 77 Cb 0.29 -0.84 0.00 0.00 0.00 0.00 0.00 35.03 34.48 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ckk n ASP 78 N 1.50 -6.17 0.00 3.14 -0.08 -1.26 -5.00 116.55 108.68 1ckk n ASP 78 Ca 0.05 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1ckk n ASP 78 Cb 0.67 -4.10 0.00 0.00 2.34 0.00 0.00 41.12 40.03 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ckk n THR 79 N -1.31 0.00 -3.80 5.18 -2.24 -1.26 -5.07 114.28 105.78 1ckk n THR 79 Ca 0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.52 1ckk n THR 79 Cb 0.47 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.58 1ckk n THR 79 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ckk s ASP 80 N 1.93 4.10 -0.22 3.42 1.11 -1.26 -4.88 116.67 120.87 1ckk s ASP 80 Ca 0.00 -3.63 -0.07 0.00 0.18 0.00 0.00 52.55 49.03 1ckk s ASP 80 Cb 0.00 -1.38 -0.18 0.00 1.07 0.00 0.00 42.92 42.42 1ckk s ASP 80 CO 0.00 -0.11 -0.05 -1.20 1.18 0.00 0.00 175.17 174.99 1ckk n SER 81 N 2.23 2.00 0.14 0.27 7.64 -1.26 -3.20 113.62 121.43 1ckk n SER 81 Ca 0.21 0.14 0.07 0.00 1.01 0.00 0.00 58.87 60.30 1ckk n SER 81 Cb 0.37 -0.70 0.56 0.00 -1.01 0.00 0.00 64.21 63.44 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 -0.35 0.21 0.19 1.43 4.39 -1.98 0.60 114.58 119.06 1ckk h GLU 82 Ca -0.54 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 58.84 1ckk h GLU 82 Cb 1.79 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 30.42 1ckk h GLU 82 CO -0.14 0.14 -1.36 1.49 -1.16 0.00 0.00 179.01 177.98 1ckk h GLU 83 N 0.21 0.55 0.00 2.33 4.57 -1.96 -2.93 114.58 117.35 1ckk h GLU 83 Ca 0.08 -0.84 -0.09 0.00 -1.18 0.00 0.00 59.36 57.33 1ckk h GLU 83 Cb 0.06 0.30 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1ckk h GLU 83 CO -0.02 1.39 -0.44 0.93 -1.18 0.00 0.00 179.01 179.69 1ckk h GLU 84 N 0.19 0.00 0.00 1.92 4.39 -1.30 -2.59 114.58 117.19 1ckk h GLU 84 Ca -0.21 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 1ckk h GLU 84 Cb 2.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.68 1ckk h GLU 84 CO 0.25 0.44 -0.40 0.82 -1.16 0.00 0.00 179.01 178.97 1ckk h ILE 85 N 0.00 0.90 0.00 3.13 2.04 0.14 -2.57 117.51 121.16 1ckk h ILE 85 Ca -0.00 -1.60 -0.09 0.00 1.00 0.00 0.00 64.86 64.17 1ckk h ILE 85 Cb 0.97 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1ckk h ILE 85 CO 0.06 0.39 -0.41 -0.09 0.00 0.00 0.00 178.15 178.10 1ckk h ARG 86 N 0.00 0.00 0.01 2.37 1.12 -1.27 -1.76 114.38 114.85 1ckk h ARG 86 Ca -0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.80 1ckk h ARG 86 Cb 0.94 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.91 1ckk h ARG 86 CO 0.05 0.41 -0.25 0.93 -3.11 0.00 0.00 179.97 178.00 1ckk h GLU 87 N 0.00 0.15 -0.52 0.20 5.08 -1.44 -2.34 114.58 115.71 1ckk h GLU 87 Ca -0.00 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1ckk h GLU 87 Cb 0.76 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 1ckk h GLU 87 CO 0.05 0.94 0.34 0.00 -1.00 0.00 0.00 179.01 179.35 1ckk h ALA 88 N 0.21 1.87 -0.11 3.43 0.00 -1.42 -1.59 119.26 121.65 1ckk h ALA 88 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ckk h ALA 88 Cb 1.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ckk h ALA 88 CO 0.05 0.04 -0.01 0.35 0.00 0.00 0.00 179.25 179.68 1ckk h PHE 89 N 0.48 0.22 -0.76 0.00 3.57 -1.30 -2.48 116.94 116.68 1ckk h PHE 89 Ca 0.22 -0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.89 1ckk h PHE 89 Cb 0.27 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1ckk h PHE 89 CO -0.00 0.48 0.53 -0.09 -2.23 0.00 0.00 178.31 177.00 1ckk h ARG 90 N -0.09 0.07 0.20 1.11 9.65 -0.73 -0.99 114.38 123.61 1ckk h ARG 90 Ca 0.03 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1ckk h ARG 90 Cb 0.39 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1ckk h ARG 90 CO 0.01 0.05 -0.10 0.28 2.80 0.00 0.00 179.97 183.01 1ckk h VAL 91 N 0.08 0.89 0.00 0.20 2.07 -0.98 -2.69 116.25 115.82 1ckk h VAL 91 Ca 0.36 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ckk h VAL 91 Cb 1.34 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1ckk h VAL 91 CO -0.03 0.16 0.00 -0.26 0.02 0.00 0.00 177.57 177.46 1ckk h PHE 92 N -0.65 0.00 -2.58 1.57 0.04 -1.00 -3.20 116.94 111.13 1ckk h PHE 92 Ca -0.03 0.00 -0.81 0.00 2.80 0.00 0.00 57.97 59.93 1ckk h PHE 92 Cb 0.47 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 38.34 1ckk h PHE 92 CO 0.04 0.00 0.91 -3.47 -0.60 0.00 0.00 178.31 175.19 1ckk n ASP 93 N -2.30 6.90 0.00 2.17 -0.08 -0.56 -4.69 116.55 117.99 1ckk n ASP 93 Ca -0.00 -3.55 0.00 0.00 -1.51 0.00 0.00 54.79 49.72 1ckk n ASP 93 Cb 0.10 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.34 1ckk n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ckk n LYS 94 N 0.62 0.00 0.26 -0.67 4.81 -1.21 -0.22 118.16 121.75 1ckk n LYS 94 Ca 0.36 0.87 0.10 0.00 -0.87 0.00 0.00 58.31 58.77 1ckk n LYS 94 Cb 0.30 -1.40 0.69 0.00 0.02 0.00 0.00 35.03 34.64 1ckk n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1ckk h ASP 95 N 0.00 0.00 -2.56 3.14 3.04 -1.93 -3.46 116.42 114.65 1ckk h ASP 95 Ca 0.00 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.74 1ckk h ASP 95 Cb 0.00 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.32 1ckk h ASP 95 CO 0.00 0.04 -0.12 0.61 -2.04 0.00 0.00 179.24 177.74 1ckk n GLY 96 N -1.32 0.32 0.26 7.15 0.00 0.69 -4.96 105.19 107.32 1ckk n GLY 96 Ca -0.03 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.32 1.53 0.00 1.61 6.94 -1.26 -4.95 115.26 117.80 1ckk n ASN 97 Ca -0.04 -1.25 0.00 0.00 -0.02 0.00 0.00 54.58 53.26 1ckk n ASN 97 Cb 0.53 0.71 0.00 0.00 -2.36 0.00 0.00 39.78 38.66 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 1.46 1.62 3.60 4.83 0.00 -1.26 -5.09 105.19 110.35 1ckk n GLY 98 Ca 0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.70 0.25 1.61 2.02 -1.26 -4.66 117.35 112.61 1ckk s TYR 99 Ca 0.00 1.57 0.11 0.00 -0.37 0.00 0.00 57.07 58.38 1ckk s TYR 99 Cb 0.00 0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.84 1ckk s TYR 99 CO 0.00 -0.42 -0.18 0.42 -1.57 0.00 0.00 175.55 173.80 1ckk s ILE 100 N -0.13 2.63 0.05 2.71 1.01 -0.19 -4.79 121.20 122.48 1ckk s ILE 100 Ca -0.03 -2.21 -0.11 0.00 0.00 0.00 0.00 60.65 58.31 1ckk s ILE 100 Cb -0.03 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1ckk s ILE 100 CO 0.03 -0.31 0.24 -0.94 0.00 0.00 0.00 174.94 173.95 1ckk s SER 101 N -3.29 -0.02 0.33 3.58 1.04 -1.26 -2.05 113.70 112.03 1ckk s SER 101 Ca 0.28 -0.35 0.10 0.00 0.48 0.00 0.00 55.95 56.46 1ckk s SER 101 Cb -0.06 0.33 0.97 0.00 0.10 0.00 0.00 66.02 67.36 1ckk s SER 101 CO 0.14 -0.61 1.61 0.00 0.98 0.00 0.00 173.24 175.36 1ckk h ALA 102 N 3.24 1.62 -0.12 5.32 0.00 -1.88 0.44 119.26 127.87 1ckk h ALA 102 Ca -0.32 0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ckk h ALA 102 Cb 1.20 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.33 1ckk h ALA 102 CO 0.49 -0.67 -0.10 0.00 0.00 0.00 0.00 179.25 178.97 1ckk h ALA 103 N 1.92 -0.01 -0.28 0.00 0.00 -1.96 0.41 119.26 119.35 1ckk h ALA 103 Ca 0.68 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.66 1ckk h ALA 103 Cb 1.58 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1ckk h ALA 103 CO -0.77 -0.55 0.14 0.93 0.00 0.00 0.00 179.25 179.00 1ckk h GLU 104 N -0.12 0.28 -0.33 0.00 5.08 -0.49 -1.62 114.58 117.38 1ckk h GLU 104 Ca 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1ckk h GLU 104 Cb 0.24 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1ckk h GLU 104 CO -0.20 0.19 0.07 -0.07 -1.00 0.00 0.00 179.01 178.00 1ckk h LEU 105 N 0.29 0.44 -1.46 1.33 3.38 -0.77 -1.45 115.31 117.07 1ckk h LEU 105 Ca 0.11 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1ckk h LEU 105 Cb 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ckk h LEU 105 CO -0.08 0.45 0.15 -0.09 0.09 0.00 0.00 178.44 178.97 1ckk h ARG 106 N 0.47 0.52 -0.31 1.13 2.43 0.76 -1.23 114.38 118.16 1ckk h ARG 106 Ca 0.11 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1ckk h ARG 106 Cb 0.20 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1ckk h ARG 106 CO -0.00 0.43 -0.14 1.25 -1.51 0.00 0.00 179.97 179.99 1ckk h HIS 107 N 0.52 0.73 -0.33 2.20 2.76 -0.72 -2.94 115.15 117.37 1ckk h HIS 107 Ca 0.13 -0.18 -0.05 0.00 -2.20 0.00 0.00 60.37 58.07 1ckk h HIS 107 Cb 0.10 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1ckk h HIS 107 CO 0.00 0.86 -0.02 0.28 -1.30 0.00 0.00 177.93 177.76 1ckk h VAL 108 N 0.40 1.20 0.00 5.26 2.07 -1.15 -2.91 116.25 121.12 1ckk h VAL 108 Ca 0.07 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ckk h VAL 108 Cb 0.66 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1ckk h VAL 108 CO 0.04 0.28 0.00 0.23 0.02 0.00 0.00 177.57 178.14 1ckk n MET 109 N -4.27 0.00 0.23 1.57 2.00 -0.52 -0.17 117.12 115.96 1ckk n MET 109 Ca 0.01 0.65 0.12 0.00 0.00 0.00 0.00 57.70 58.48 1ckk n MET 109 Cb 0.25 -1.49 0.64 0.00 0.00 0.00 0.00 33.22 32.63 1ckk n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1ckk h THR 110 N 0.00 0.00 -0.01 2.03 2.02 -1.60 0.50 112.91 115.85 1ckk h THR 110 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ckk h THR 110 Cb 0.00 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1ckk h THR 110 CO 0.00 0.00 -0.48 0.59 0.37 0.00 0.00 175.52 176.00 1ckk n ASN 111 N -2.44 1.25 0.00 4.18 5.03 -0.46 -4.28 115.26 118.53 1ckk n ASN 111 Ca -0.02 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.44 1ckk n ASN 111 Cb 0.23 0.39 0.00 0.00 -1.02 0.00 0.00 39.78 39.38 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ckk n LEU 112 N -0.72 0.67 0.00 3.41 4.77 0.15 -4.38 117.00 120.91 1ckk n LEU 112 Ca 0.09 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1ckk n LEU 112 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ckk n LEU 112 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1ckk n GLY 113 N -0.14 -0.85 3.23 -0.72 0.00 0.13 -5.03 105.19 101.82 1ckk n GLY 113 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1ckk n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckk s GLU 114 N 0.00 1.12 -0.28 1.61 2.12 -1.21 -4.67 118.70 117.39 1ckk s GLU 114 Ca 0.00 -1.56 -0.09 0.00 0.36 0.00 0.00 54.97 53.68 1ckk s GLU 114 Cb 0.00 -0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.27 1ckk s GLU 114 CO 0.00 -0.21 0.13 -1.59 -0.54 0.00 0.00 175.26 173.05 1ckk s LYS 115 N -3.99 3.65 0.73 4.30 0.00 -1.26 -4.07 119.74 119.10 1ckk s LYS 115 Ca 0.28 -0.50 -0.14 0.00 0.00 0.00 0.00 55.97 55.60 1ckk s LYS 115 Cb 0.07 -3.51 0.04 0.00 0.00 0.00 0.00 37.83 34.43 1ckk s LYS 115 CO 0.06 -0.26 1.17 -0.51 0.00 0.00 0.00 175.35 175.81 1ckk s LEU 116 N 1.66 3.27 0.97 2.77 1.02 -1.26 -4.97 118.68 122.15 1ckk s LEU 116 Ca 0.06 2.20 -0.13 0.00 0.02 0.00 0.00 54.13 56.29 1ckk s LEU 116 Cb -0.16 -4.57 0.16 0.00 0.02 0.00 0.00 46.19 41.64 1ckk s LEU 116 CO 0.07 -2.15 0.30 0.41 0.02 0.00 0.00 176.35 175.00 1ckk n THR 117 N -2.83 0.00 0.11 5.49 -1.04 -1.26 -4.46 114.28 110.29 1ckk n THR 117 Ca 0.12 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 1ckk n THR 117 Cb 0.51 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 68.51 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 -2.65 -0.30 -0.64 8.00 1.82 -1.98 -1.83 116.42 118.82 1ckk h ASP 118 Ca -0.22 -0.17 0.13 0.00 -0.39 0.00 0.00 57.03 56.39 1ckk h ASP 118 Cb 0.70 0.08 -0.12 0.00 0.68 0.00 0.00 39.33 40.68 1ckk h ASP 118 CO 0.14 0.19 -0.08 -0.33 -1.61 0.00 0.00 179.24 177.55 1ckk h GLU 119 N -1.00 0.05 0.75 0.28 5.08 -1.98 0.53 114.58 118.29 1ckk h GLU 119 Ca -0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1ckk h GLU 119 Cb 0.45 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1ckk h GLU 119 CO 0.06 0.03 -0.48 1.49 -1.00 0.00 0.00 179.01 179.12 1ckk h GLU 120 N 0.05 -1.11 -0.83 2.33 4.57 -1.89 0.54 114.58 118.24 1ckk h GLU 120 Ca 0.33 0.08 0.20 0.00 -1.18 0.00 0.00 59.36 58.79 1ckk h GLU 120 Cb 0.52 0.25 -0.13 0.00 -0.16 0.00 0.00 28.75 29.24 1ckk h GLU 120 CO -0.61 -0.74 0.25 0.28 -1.18 0.00 0.00 179.01 177.01 1ckk h VAL 121 N -1.15 0.42 0.05 0.32 2.07 -0.38 0.46 116.25 118.03 1ckk h VAL 121 Ca -0.10 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ckk h VAL 121 Cb 0.93 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ckk h VAL 121 CO 0.09 0.05 -0.02 0.44 0.02 0.00 0.00 177.57 178.15 1ckk h ASP 122 N 0.27 -0.06 -0.32 0.57 5.19 0.71 -1.69 116.42 121.10 1ckk h ASP 122 Ca 0.50 -0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.88 1ckk h ASP 122 Cb 0.95 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.46 1ckk h ASP 122 CO -0.58 0.06 0.22 -0.33 -3.12 0.00 0.00 179.24 175.49 1ckk h GLU 123 N -0.16 0.15 -0.62 3.56 5.08 0.27 0.54 114.58 123.40 1ckk h GLU 123 Ca -0.01 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ckk h GLU 123 Cb 0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1ckk h GLU 123 CO 0.01 0.10 0.41 1.98 -1.00 0.00 0.00 179.01 180.50 1ckk h MET 124 N 0.15 0.82 0.00 2.33 4.05 0.71 -0.01 114.93 122.98 1ckk h MET 124 Ca 0.14 -0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 59.33 1ckk h MET 124 Cb 0.38 -0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 30.97 1ckk h MET 124 CO -0.02 0.54 -1.09 0.82 0.23 0.00 0.00 176.91 177.39 1ckk h ILE 125 N 0.84 0.93 -0.28 1.77 1.08 -0.81 -3.28 117.51 117.76 1ckk h ILE 125 Ca 0.23 -2.48 -0.06 0.00 -0.39 0.00 0.00 64.86 62.16 1ckk h ILE 125 Cb -0.09 2.39 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 1ckk h ILE 125 CO -0.05 0.53 -0.05 -0.09 -0.69 0.00 0.00 178.15 177.80 1ckk h ARG 126 N 0.00 0.52 -0.50 2.37 2.43 0.42 0.03 114.38 119.65 1ckk h ARG 126 Ca -0.10 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1ckk h ARG 126 Cb 1.63 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 1ckk h ARG 126 CO 0.08 0.71 0.15 1.49 -1.51 0.00 0.00 179.97 180.89 1ckk h GLU 127 N 0.28 0.75 0.01 0.20 4.81 -1.13 -2.51 114.58 116.98 1ckk h GLU 127 Ca 0.07 -0.13 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1ckk h GLU 127 Cb 0.51 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ckk h GLU 127 CO 0.02 0.66 -0.88 0.00 -0.73 0.00 0.00 179.01 178.08 1ckk h ALA 128 N 1.44 0.52 0.00 2.92 0.00 -1.58 -3.35 119.26 119.21 1ckk h ALA 128 Ca 0.17 -0.73 -0.52 0.00 0.00 0.00 0.00 54.91 53.82 1ckk h ALA 128 Cb 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ckk h ALA 128 CO -0.01 0.93 2.75 -0.25 0.00 0.00 0.00 179.25 182.67 1ckk n ASP 129 N -3.64 4.69 0.20 0.00 8.00 -0.02 -4.66 116.55 121.12 1ckk n ASP 129 Ca -0.03 -2.50 -0.17 0.00 0.71 0.00 0.00 54.79 52.80 1ckk n ASP 129 Cb 0.81 -1.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.61 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ckk h ILE 130 N 3.71 0.08 -0.81 0.53 2.04 -1.76 -0.93 117.51 120.37 1ckk h ILE 130 Ca 0.53 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.52 1ckk h ILE 130 Cb 0.36 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.46 1ckk h ILE 130 CO 1.67 0.00 0.53 -2.24 0.00 0.00 0.00 178.15 178.11 1ckk h ASP 131 N -0.83 0.58 -0.23 1.72 3.04 -1.96 -3.46 116.42 115.28 1ckk h ASP 131 Ca -0.02 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1ckk h ASP 131 Cb 0.78 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1ckk h ASP 131 CO -0.16 0.32 0.00 0.61 -2.04 0.00 0.00 179.24 177.97 1ckk n GLY 132 N -1.46 0.75 0.00 7.15 0.00 -0.35 -5.04 105.19 106.23 1ckk n GLY 132 Ca 0.15 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1ckk n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ckk n ASP 133 N -0.08 0.49 0.00 1.61 8.00 -1.26 -4.98 116.55 120.33 1ckk n ASP 133 Ca 0.00 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1ckk n ASP 133 Cb 0.04 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ckk n GLY 134 N 0.42 2.30 3.27 0.44 0.00 -1.26 -4.97 105.19 105.38 1ckk n GLY 134 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ckk n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ckk s GLN 135 N -0.23 1.17 0.20 1.61 -2.07 -1.26 -4.59 119.66 114.49 1ckk s GLN 135 Ca 0.00 -1.45 0.08 0.00 -1.82 0.00 0.00 55.36 52.17 1ckk s GLN 135 Cb 0.00 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 1ckk s GLN 135 CO 0.00 -0.40 -0.04 0.08 -1.32 0.00 0.00 175.29 173.61 1ckk s VAL 136 N -4.08 3.44 0.00 3.63 1.01 -0.87 -4.63 120.40 118.90 1ckk s VAL 136 Ca 0.29 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1ckk s VAL 136 Cb 0.05 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1ckk s VAL 136 CO 0.07 -0.17 0.00 -0.46 0.00 0.00 0.00 175.10 174.54 1ckk n ASN 137 N -0.23 0.00 0.00 3.32 6.94 -1.26 -1.02 115.26 123.01 1ckk n ASN 137 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 1ckk n ASN 137 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1ckk n ASN 137 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ckk n TYR 138 N 0.00 0.00 -0.37 -2.53 4.19 -1.26 -2.37 117.16 114.82 1ckk n TYR 138 Ca 0.00 0.00 0.30 0.00 3.31 0.00 0.00 57.90 61.51 1ckk n TYR 138 Cb 0.00 -0.49 0.56 0.00 0.49 0.00 0.00 39.34 39.90 1ckk n TYR 138 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1ckk h GLU 139 N 0.00 0.17 0.45 2.98 5.08 -1.98 0.06 114.58 121.33 1ckk h GLU 139 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1ckk h GLU 139 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1ckk h GLU 139 CO 0.00 0.11 -0.22 0.93 -1.00 0.00 0.00 179.01 178.83 1ckk h GLU 140 N 0.17 -0.59 -0.17 2.33 5.08 -1.94 1.53 114.58 121.01 1ckk h GLU 140 Ca 0.78 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 59.23 1ckk h GLU 140 Cb 2.10 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.47 1ckk h GLU 140 CO -0.56 -0.39 0.44 0.35 -1.00 0.00 0.00 179.01 177.85 1ckk h PHE 141 N -0.94 0.00 0.00 4.33 3.04 -0.86 -1.51 116.94 121.00 1ckk h PHE 141 Ca -0.06 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.55 1ckk h PHE 141 Cb 0.47 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.93 1ckk h PHE 141 CO 0.03 0.00 -2.12 0.28 -2.02 0.00 0.00 178.31 174.48 1ckk n VAL 142 N -3.15 1.49 0.10 1.41 0.31 -0.11 -3.96 118.33 114.43 1ckk n VAL 142 Ca 0.02 -0.24 0.06 0.00 -0.01 0.00 0.00 64.34 64.17 1ckk n VAL 142 Cb 0.54 -1.99 0.33 0.00 -0.91 0.00 0.00 33.84 31.81 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 -4.27 0.08 -0.00 5.55 -0.06 0.52 -0.87 117.38 118.32 1ckk n GLN 143 Ca -0.43 0.56 0.11 0.00 -2.00 0.00 0.00 57.00 55.23 1ckk n GLN 143 Cb 0.78 -1.83 -0.15 0.00 -4.06 0.00 0.00 30.24 24.98 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 -1.92 0.54 -0.01 3.69 2.81 -0.59 -4.31 117.12 117.33 1ckk n MET 144 Ca -0.01 -0.15 -0.01 0.00 -1.81 0.00 0.00 57.70 55.73 1ckk n MET 144 Cb 0.09 -1.53 -0.00 0.00 -0.71 0.00 0.00 33.22 31.06 1ckk n MET 144 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1ckk n MET 145 N -2.15 0.04 -3.40 0.03 2.81 -0.05 -4.84 117.12 109.56 1ckk n MET 145 Ca -0.02 0.02 -0.29 0.00 -1.81 0.00 0.00 57.70 55.59 1ckk n MET 145 Cb 0.53 -0.56 -0.07 0.00 -0.71 0.00 0.00 33.22 32.41 1ckk n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ckk n THR 146 N -2.65 2.72 -0.94 2.03 5.66 -0.92 -4.94 114.28 115.24 1ckk n THR 146 Ca -0.01 -5.30 -0.17 0.00 -3.05 0.00 0.00 64.05 55.52 1ckk n THR 146 Cb 0.04 -2.11 -0.11 0.00 -1.55 0.00 0.00 70.33 66.60 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ckk n ALA 147 N 0.98 5.94 0.00 1.79 0.00 -1.25 -4.82 120.51 123.15 1ckk n ALA 147 Ca 0.29 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.71 1ckk n ALA 147 Cb 0.40 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13