#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk h ASP 2 N 0.00 0.00 -1.39 0.00 3.58 -2.12 -3.43 116.42 113.06 1ckk h ASP 2 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 1ckk h ASP 2 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1ckk h ASP 2 CO 0.00 0.24 1.64 1.67 -2.88 0.00 0.00 179.24 179.90 1ckk n GLN 3 N -3.16 0.97 -3.08 0.28 7.27 -1.26 -4.88 117.38 113.52 1ckk n GLN 3 Ca 0.03 0.05 -0.11 0.00 0.07 0.00 0.00 57.00 57.04 1ckk n GLN 3 Cb 0.62 -3.13 -0.03 0.00 2.41 0.00 0.00 30.24 30.11 1ckk n GLN 3 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1ckk n LEU 4 N 14.63 0.00 0.00 1.69 -0.00 -1.26 -5.08 117.00 126.98 1ckk n LEU 4 Ca 0.41 -1.43 0.00 0.00 -0.00 0.00 0.00 56.01 54.98 1ckk n LEU 4 Cb 0.46 0.55 0.00 0.00 -0.00 0.00 0.00 43.42 44.43 1ckk n LEU 4 CO 0.74 -0.23 0.03 1.07 -0.00 0.00 0.00 177.39 179.00 1ckk n THR 5 N -0.38 0.00 -0.01 1.47 5.66 -1.26 -4.80 114.28 114.95 1ckk n THR 5 Ca -0.01 -0.12 -0.22 0.00 -3.05 0.00 0.00 64.05 60.65 1ckk n THR 5 Cb 0.28 1.36 -0.13 0.00 -1.55 0.00 0.00 70.33 70.29 1ckk n THR 5 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1ckk h GLU 6 N 0.00 0.21 0.57 1.09 4.39 -1.98 -3.23 114.58 115.63 1ckk h GLU 6 Ca 0.00 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.32 1ckk h GLU 6 Cb 0.18 0.13 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1ckk h GLU 6 CO 0.00 1.17 -0.27 1.49 -1.16 0.00 0.00 179.01 180.24 1ckk h GLU 7 N -0.29 -0.74 -1.01 2.33 4.81 -1.99 -0.49 114.58 117.20 1ckk h GLU 7 Ca -0.36 0.05 0.25 0.00 -0.13 0.00 0.00 59.36 59.17 1ckk h GLU 7 Cb 1.78 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 31.21 1ckk h GLU 7 CO 0.02 -0.49 0.61 -0.56 -0.73 0.00 0.00 179.01 177.86 1ckk h GLN 8 N -0.91 0.54 0.00 1.92 3.07 -1.87 1.00 115.11 118.86 1ckk h GLN 8 Ca -0.08 -0.03 -0.08 0.00 0.09 0.00 0.00 58.65 58.55 1ckk h GLN 8 Cb 0.59 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 1ckk h GLN 8 CO 0.13 0.35 -0.36 0.82 0.09 0.00 0.00 178.83 179.87 1ckk h ILE 9 N 0.55 1.23 0.52 1.86 2.04 -1.54 -2.54 117.51 119.62 1ckk h ILE 9 Ca 0.64 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1ckk h ILE 9 Cb 1.27 1.67 0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1ckk h ILE 9 CO -0.44 0.35 -0.25 0.00 0.00 0.00 0.00 178.15 177.81 1ckk h ALA 10 N 1.64 -0.69 -0.63 1.87 0.00 0.28 0.98 119.26 122.70 1ckk h ALA 10 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ckk h ALA 10 Cb 0.64 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1ckk h ALA 10 CO 0.05 -0.83 0.42 1.05 0.00 0.00 0.00 179.25 179.94 1ckk h GLU 11 N -0.82 0.53 -0.06 0.00 4.11 -1.39 0.27 114.58 117.22 1ckk h GLU 11 Ca -0.07 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.24 1ckk h GLU 11 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ckk h GLU 11 CO 0.12 0.35 -0.32 0.74 0.07 0.00 0.00 179.01 179.97 1ckk h PHE 12 N 0.54 0.43 -0.59 2.06 0.04 -1.03 -2.65 116.94 115.75 1ckk h PHE 12 Ca 0.28 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1ckk h PHE 12 Cb 0.41 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 1ckk h PHE 12 CO -0.00 0.94 0.38 -0.22 -0.60 0.00 0.00 178.31 178.81 1ckk h LYS 13 N -0.19 0.78 -0.68 1.51 1.63 0.19 -1.62 116.57 118.19 1ckk h LYS 13 Ca -0.02 -0.05 0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1ckk h LYS 13 Cb 0.98 -0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 32.37 1ckk h LYS 13 CO 0.07 0.53 0.34 1.49 -3.45 0.00 0.00 179.45 178.43 1ckk h GLU 14 N 0.80 0.58 0.59 1.90 4.81 -0.52 0.38 114.58 123.12 1ckk h GLU 14 Ca 0.21 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1ckk h GLU 14 Cb -0.07 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 1ckk h GLU 14 CO -0.04 0.38 -0.34 0.00 -0.73 0.00 0.00 179.01 178.28 1ckk h ALA 15 N 1.40 -0.88 -0.57 2.92 0.00 -0.98 0.80 119.26 121.95 1ckk h ALA 15 Ca 0.32 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1ckk h ALA 15 Cb 0.30 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1ckk h ALA 15 CO -0.24 -1.00 0.26 0.35 0.00 0.00 0.00 179.25 178.61 1ckk h PHE 16 N -0.87 0.46 -0.76 0.00 3.57 -0.81 -0.26 116.94 118.28 1ckk h PHE 16 Ca -0.07 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ckk h PHE 16 Cb 0.69 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1ckk h PHE 16 CO -0.08 0.19 0.39 1.03 -2.23 0.00 0.00 178.31 177.61 1ckk h SER 17 N 0.48 0.96 -0.07 0.41 0.87 0.11 0.20 113.55 116.52 1ckk h SER 17 Ca 0.27 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1ckk h SER 17 Cb 0.24 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1ckk h SER 17 CO -0.22 0.79 0.06 0.25 -0.53 0.00 0.00 176.83 177.18 1ckk h LEU 18 N 1.07 0.00 0.00 2.23 6.46 0.24 -2.94 115.31 122.36 1ckk h LEU 18 Ca 0.27 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.77 1ckk h LEU 18 Cb 0.07 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 1ckk h LEU 18 CO -0.04 0.00 -1.39 0.49 -0.62 0.00 0.00 178.44 176.88 1ckk n PHE 19 N -4.18 0.93 -2.00 1.25 3.01 -0.34 -4.57 117.46 111.56 1ckk n PHE 19 Ca -0.01 0.40 -0.37 0.00 1.01 0.00 0.00 57.45 58.48 1ckk n PHE 19 Cb 0.16 -1.09 -0.04 0.00 -0.01 0.00 0.00 39.48 38.51 1ckk n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ckk n ASP 20 N -4.40 3.59 0.00 4.37 -0.08 0.57 -4.67 116.55 115.93 1ckk n ASP 20 Ca -0.34 -2.77 -0.00 0.00 -1.51 0.00 0.00 54.79 50.16 1ckk n ASP 20 Cb 0.71 -1.62 -0.00 0.00 2.34 0.00 0.00 41.12 42.55 1ckk n ASP 20 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ckk h LYS 21 N 8.33 -0.01 -1.35 -0.67 1.79 -1.81 -0.49 116.57 122.36 1ckk h LYS 21 Ca 0.36 0.00 0.39 0.00 -2.18 0.00 0.00 60.65 59.23 1ckk h LYS 21 Cb 0.83 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.43 1ckk h LYS 21 CO 1.51 -0.01 1.03 0.38 -1.08 0.00 0.00 179.45 181.28 1ckk h ASP 22 N -0.01 0.00 -3.38 0.86 2.03 -1.93 -3.45 116.42 110.54 1ckk h ASP 22 Ca -0.00 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.21 1ckk h ASP 22 Cb 0.01 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.56 1ckk h ASP 22 CO -0.00 0.00 -0.24 0.61 -1.03 0.00 0.00 179.24 178.58 1ckk n GLY 23 N -1.79 0.26 0.07 7.15 0.00 -0.19 -4.99 105.19 105.70 1ckk n GLY 23 Ca 0.30 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.81 2.08 0.00 1.61 5.75 -1.26 -5.01 116.55 117.91 1ckk n ASP 24 Ca -0.05 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1ckk n ASP 24 Cb 0.54 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 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 2.38 0.84 2.74 6.12 0.00 -1.26 -5.11 105.19 110.90 1ckk n GLY 25 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.54 -0.19 0.00 2.61 -4.23 -1.25 -4.26 115.64 106.79 1ckk s THR 26 Ca 0.00 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 60.47 1ckk s THR 26 Cb 0.00 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1ckk s THR 26 CO 0.00 0.06 1.11 -0.63 -0.54 0.00 0.00 174.62 174.62 1ckk s ILE 27 N 2.23 4.42 0.36 2.99 1.01 -0.18 -4.71 121.20 127.32 1ckk s ILE 27 Ca 0.04 1.73 0.01 0.00 0.00 0.00 0.00 60.65 62.44 1ckk s ILE 27 Cb -0.13 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1ckk s ILE 27 CO -0.06 0.10 0.55 0.42 0.00 0.00 0.00 174.94 175.95 1ckk s THR 28 N 1.35 4.75 0.28 2.92 -4.23 -1.26 -2.19 115.64 117.26 1ckk s THR 28 Ca 0.55 -0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.46 1ckk s THR 28 Cb -0.25 -3.73 0.27 0.00 1.34 0.00 0.00 72.50 70.14 1ckk s THR 28 CO 0.26 -0.44 1.92 0.74 -0.54 0.00 0.00 174.62 176.56 1ckk h THR 29 N 0.72 1.15 0.21 3.99 2.02 -1.96 -2.82 112.91 116.22 1ckk h THR 29 Ca -0.49 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1ckk h THR 29 Cb 1.23 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1ckk h THR 29 CO 0.59 0.21 -0.10 0.50 0.37 0.00 0.00 175.52 177.10 1ckk h LYS 30 N 1.17 -0.27 -0.59 6.66 3.11 -1.98 -1.62 116.57 123.06 1ckk h LYS 30 Ca 0.38 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.30 1ckk h LYS 30 Cb 0.03 0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.24 1ckk h LYS 30 CO -0.12 0.02 -0.50 0.93 -2.81 0.00 0.00 179.45 176.98 1ckk h GLU 31 N -0.56 -0.18 -0.88 1.90 5.08 -1.84 0.63 114.58 118.73 1ckk h GLU 31 Ca -0.03 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1ckk h GLU 31 Cb 0.42 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1ckk h GLU 31 CO 0.05 -0.12 0.57 1.25 -1.00 0.00 0.00 179.01 179.76 1ckk h LEU 32 N -0.19 0.80 -0.89 1.33 5.85 -1.54 -0.14 115.31 120.54 1ckk h LEU 32 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ckk h LEU 32 Cb 0.44 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1ckk h LEU 32 CO -0.65 0.48 0.49 1.23 -0.34 0.00 0.00 178.44 179.65 1ckk h GLY 33 N 0.89 1.32 0.84 3.75 0.00 0.10 -1.95 103.07 108.02 1ckk h GLY 33 Ca 0.40 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1ckk h GLY 33 CO -0.17 0.57 0.55 -0.84 0.00 0.00 0.00 176.54 176.65 1ckk h THR 34 N 1.24 1.12 0.27 4.70 2.02 0.19 -0.79 112.91 121.66 1ckk h THR 34 Ca 0.31 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ckk h THR 34 Cb 0.02 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.40 1ckk h THR 34 CO -0.05 0.19 -0.13 0.58 0.37 0.00 0.00 175.52 176.48 1ckk h VAL 35 N 1.05 0.77 -0.50 3.16 2.07 -1.02 -1.48 116.25 120.29 1ckk h VAL 35 Ca 0.35 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 67.69 1ckk h VAL 35 Cb 0.04 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1ckk h VAL 35 CO -0.13 0.07 0.35 0.24 0.02 0.00 0.00 177.57 178.12 1ckk h MET 36 N -0.53 0.12 0.00 1.57 2.86 -1.07 0.28 114.93 118.15 1ckk h MET 36 Ca -0.04 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1ckk h MET 36 Cb 0.39 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ckk h MET 36 CO 0.06 0.08 -0.40 -0.09 1.06 0.00 0.00 176.91 177.62 1ckk h ARG 37 N 0.12 0.00 0.01 1.72 9.65 -0.64 -2.81 114.38 122.43 1ckk h ARG 37 Ca 0.24 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.04 1ckk h ARG 37 Cb 0.78 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.36 1ckk h ARG 37 CO -0.03 0.40 -0.30 0.77 2.80 0.00 0.00 179.97 183.62 1ckk h SER 38 N 0.00 0.24 0.07 -3.80 0.02 0.57 -3.34 113.55 107.31 1ckk h SER 38 Ca -0.00 -0.81 0.02 0.00 -0.84 0.00 0.00 61.79 60.15 1ckk h SER 38 Cb 1.02 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1ckk h SER 38 CO 0.05 1.02 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.51 1ckk h LEU 39 N -0.51 -0.53 0.00 5.07 3.38 -1.43 -3.47 115.31 117.82 1ckk h LEU 39 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ckk h LEU 39 Cb 1.08 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ckk h LEU 39 CO 0.06 -0.26 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1ckk n GLY 40 N -1.31 -0.19 0.00 0.83 0.00 -1.16 -5.02 105.19 98.35 1ckk n GLY 40 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.07 -3.20 1.61 1.13 -1.07 -5.06 117.38 110.85 1ckk n GLN 41 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1ckk n GLN 41 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.28 1ckk n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ckk n ASN 42 N -2.86 -0.80 -4.66 1.08 4.13 -1.26 -4.71 115.26 106.18 1ckk n ASN 42 Ca 0.00 -2.61 -0.43 0.00 1.68 0.00 0.00 54.58 53.22 1ckk n ASN 42 Cb 0.00 -0.13 -0.02 0.00 -1.54 0.00 0.00 39.78 38.09 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ckk s PRO 43 N -0.21 4.21 0.56 3.52 0.04 -1.26 -5.01 135.00 136.84 1ckk s PRO 43 Ca 0.33 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.92 1ckk s PRO 43 Cb 0.09 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 1ckk s PRO 43 CO -0.16 -0.75 1.03 0.99 0.04 0.00 0.00 177.00 178.16 1ckk s THR 44 N 3.61 4.07 0.15 1.26 2.01 -1.26 -4.86 115.64 120.62 1ckk s THR 44 Ca 0.57 1.00 -0.18 0.00 0.31 0.00 0.00 61.69 63.39 1ckk s THR 44 Cb -0.23 -3.51 0.01 0.00 0.01 0.00 0.00 72.50 68.79 1ckk s THR 44 CO 0.17 -0.55 1.71 -0.33 -0.69 0.00 0.00 174.62 174.92 1ckk h GLU 45 N 0.68 0.08 0.19 4.92 3.07 -1.99 0.18 114.58 121.71 1ckk h GLU 45 Ca -0.47 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.39 1ckk h GLU 45 Cb 1.21 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.08 1ckk h GLU 45 CO 0.59 0.05 -0.24 0.00 -1.40 0.00 0.00 179.01 178.01 1ckk h ALA 46 N 1.25 -0.46 -0.66 3.43 0.00 -2.01 -1.64 119.26 119.17 1ckk h ALA 46 Ca 0.14 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ckk h ALA 46 Cb 0.19 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1ckk h ALA 46 CO -0.24 -0.80 0.44 0.93 0.00 0.00 0.00 179.25 179.58 1ckk h GLU 47 N -0.49 0.53 0.14 0.00 5.08 -1.86 -2.26 114.58 115.73 1ckk h GLU 47 Ca 0.01 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1ckk h GLU 47 Cb 0.48 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1ckk h GLU 47 CO -0.09 0.35 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.95 1ckk h LEU 48 N 0.55 -0.70 -1.90 1.33 3.38 0.00 0.43 115.31 118.40 1ckk h LEU 48 Ca 0.30 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.36 1ckk h LEU 48 Cb 0.45 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1ckk h LEU 48 CO -0.10 -0.34 0.09 -0.61 0.09 0.00 0.00 178.44 177.57 1ckk h GLN 49 N -0.47 0.13 -0.37 1.13 4.15 -1.09 0.28 115.11 118.88 1ckk h GLN 49 Ca 0.02 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.31 1ckk h GLN 49 Cb 0.48 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1ckk h GLN 49 CO -0.13 0.09 -0.27 -0.44 -1.93 0.00 0.00 178.83 176.15 1ckk h ASP 50 N 0.13 0.87 -0.06 -0.69 3.32 -0.75 -1.88 116.42 117.37 1ckk h ASP 50 Ca 0.05 -0.44 -0.22 0.00 0.02 0.00 0.00 57.03 56.44 1ckk h ASP 50 Cb 0.04 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.35 1ckk h ASP 50 CO -0.01 1.12 -0.79 -0.03 -1.72 0.00 0.00 179.24 177.82 1ckk h MET 51 N 0.62 0.71 0.00 3.56 4.05 -0.13 -3.04 114.93 120.71 1ckk h MET 51 Ca 0.07 -0.59 -0.03 0.00 -0.28 0.00 0.00 59.70 58.86 1ckk h MET 51 Cb 0.84 0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.76 1ckk h MET 51 CO 0.07 1.20 -0.16 0.82 0.23 0.00 0.00 176.91 179.08 1ckk h ILE 52 N 0.48 0.62 0.00 1.77 1.08 -0.95 -1.52 117.51 119.00 1ckk h ILE 52 Ca -0.05 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 1ckk h ILE 52 Cb 1.41 1.44 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 1ckk h ILE 52 CO 0.16 0.15 0.00 -3.20 -0.69 0.00 0.00 178.15 174.57 1ckk n ASN 53 N -3.64 0.00 0.02 1.72 2.85 -0.71 -2.56 115.26 112.93 1ckk n ASN 53 Ca -0.01 -0.95 0.11 0.00 -0.11 0.00 0.00 54.58 53.61 1ckk n ASN 53 Cb 0.28 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.33 1ckk n ASN 53 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1ckk n GLU 54 N -0.96 0.20 -0.04 1.20 2.13 -0.57 -4.42 120.64 118.18 1ckk n GLU 54 Ca 0.20 -0.01 -0.04 0.00 0.66 0.00 0.00 57.16 57.96 1ckk n GLU 54 Cb 0.09 -1.56 -0.04 0.00 0.27 0.00 0.00 31.44 30.20 1ckk n GLU 54 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ckk n VAL 55 N -1.81 0.46 -1.50 6.31 0.31 -1.13 -4.92 118.33 116.05 1ckk n VAL 55 Ca 0.03 -0.23 -0.19 0.00 -0.01 0.00 0.00 64.34 63.94 1ckk n VAL 55 Cb 0.40 -0.81 -0.18 0.00 -0.91 0.00 0.00 33.84 32.35 1ckk n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ckk n ASP 56 N -2.50 -0.61 0.02 4.52 8.00 -1.06 -4.66 116.55 120.27 1ckk n ASP 56 Ca -0.13 -0.85 -0.10 0.00 0.71 0.00 0.00 54.79 54.42 1ckk n ASP 56 Cb 0.68 -0.84 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckk h ALA 57 N 11.38 0.53 0.22 2.24 0.00 -1.91 -3.36 119.26 128.36 1ckk h ALA 57 Ca 0.03 -1.21 -0.35 0.00 0.00 0.00 0.00 54.91 53.38 1ckk h ALA 57 Cb 1.09 0.24 0.02 0.00 0.00 0.00 0.00 17.79 19.14 1ckk h ALA 57 CO 1.44 1.38 -1.64 0.38 0.00 0.00 0.00 179.25 180.80 1ckk h ASP 58 N 0.02 0.72 0.00 0.00 2.03 -1.94 -3.48 116.42 113.77 1ckk h ASP 58 Ca -0.19 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 55.18 1ckk h ASP 58 Cb 1.93 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 40.20 1ckk h ASP 58 CO 0.11 1.76 0.00 0.61 -1.03 0.00 0.00 179.24 180.69 1ckk n GLY 59 N 1.80 1.66 0.03 7.15 0.00 -1.26 -5.00 105.19 109.58 1ckk n GLY 59 Ca -0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.60 0.00 1.61 6.94 -1.26 -5.00 115.26 118.15 1ckk n ASN 60 Ca 0.00 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.29 1ckk n ASN 60 Cb 0.00 0.91 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 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 1.37 2.45 3.83 4.83 0.00 -1.26 -5.03 105.19 111.38 1ckk n GLY 61 Ca 0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 3.12 0.23 2.61 -4.23 -1.26 -4.77 115.64 111.34 1ckk s THR 62 Ca 0.00 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.77 1ckk s THR 62 Cb 0.00 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.58 1ckk s THR 62 CO 0.00 -0.47 0.55 -0.63 -0.54 0.00 0.00 174.62 173.53 1ckk s ILE 63 N -3.23 4.93 0.30 2.99 -1.09 -0.93 -4.66 121.20 119.51 1ckk s ILE 63 Ca 0.60 0.49 0.10 0.00 -2.23 0.00 0.00 60.65 59.60 1ckk s ILE 63 Cb -0.13 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1ckk s ILE 63 CO 0.53 -0.06 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.55 1ckk s ASP 64 N -2.33 4.25 0.24 3.58 2.15 -1.26 -1.01 116.67 122.29 1ckk s ASP 64 Ca 0.47 -0.86 -0.06 0.00 0.43 0.00 0.00 52.55 52.53 1ckk s ASP 64 Cb -0.11 -0.62 0.44 0.00 -0.30 0.00 0.00 42.92 42.32 1ckk s ASP 64 CO 0.21 -0.11 1.68 0.15 -0.17 0.00 0.00 175.17 176.93 1ckk h PHE 65 N 1.89 0.22 -0.37 -5.34 3.57 -2.00 -0.87 116.94 114.05 1ckk h PHE 65 Ca -0.43 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 60.95 1ckk h PHE 65 Cb 1.25 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1ckk h PHE 65 CO 0.71 -0.10 -0.41 -1.00 -2.23 0.00 0.00 178.31 175.28 1ckk h PRO 66 N 0.24 0.91 -0.17 6.41 0.13 -1.96 -2.63 132.00 134.94 1ckk h PRO 66 Ca 0.40 -0.49 0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1ckk h PRO 66 Cb 0.68 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 1ckk h PRO 66 CO -0.52 1.14 0.16 0.93 -0.23 0.00 0.00 178.00 179.48 1ckk h GLU 67 N 0.74 0.00 0.20 0.86 5.08 -1.57 -1.86 114.58 118.02 1ckk h GLU 67 Ca 0.05 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.09 1ckk h GLU 67 Cb 1.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.27 1ckk h GLU 67 CO 0.10 0.00 -1.53 0.35 -1.00 0.00 0.00 179.01 176.93 1ckk h PHE 68 N 0.00 0.75 0.00 4.33 3.04 -1.11 -2.61 116.94 121.35 1ckk h PHE 68 Ca 0.08 -0.55 0.00 0.00 3.98 0.00 0.00 57.97 61.48 1ckk h PHE 68 Cb 0.40 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1ckk h PHE 68 CO 0.00 1.59 0.00 -0.07 -2.02 0.00 0.00 178.31 177.81 1ckk h LEU 69 N 0.01 0.00 0.00 0.59 3.38 -1.01 -2.73 115.31 115.55 1ckk h LEU 69 Ca -0.29 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.28 1ckk h LEU 69 Cb 2.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.71 1ckk h LEU 69 CO 0.19 0.00 -2.47 0.35 0.09 0.00 0.00 178.44 176.60 1ckk n THR 70 N -2.42 1.48 0.02 0.22 -2.24 -0.78 -4.47 114.28 106.08 1ckk n THR 70 Ca 0.01 -0.54 -0.02 0.00 -2.27 0.00 0.00 64.05 61.22 1ckk n THR 70 Cb 0.20 -1.47 0.23 0.00 -2.10 0.00 0.00 70.33 67.19 1ckk n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckk h MET 71 N -0.12 0.48 0.00 -0.78 -0.00 -1.44 -2.45 114.93 110.63 1ckk h MET 71 Ca -0.59 -0.16 0.00 0.00 -0.00 0.00 0.00 59.70 58.95 1ckk h MET 71 Cb 1.86 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 33.42 1ckk h MET 71 CO -0.13 0.65 0.00 -0.12 -0.00 0.00 0.00 176.91 177.32 1ckk n MET 72 N -4.16 0.02 0.00 -0.10 0.00 -1.04 -2.42 117.12 109.42 1ckk n MET 72 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 57.70 58.05 1ckk n MET 72 Cb 0.37 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 32.05 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 -1.47 2.88 -0.08 -5.12 0.00 -0.94 -4.63 120.51 111.15 1ckk n ALA 73 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1ckk n ALA 73 Cb 0.11 -0.25 -0.15 0.00 0.00 0.00 0.00 19.45 19.17 1ckk n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ckk n ARG 74 N -1.14 0.68 -0.61 0.00 0.63 -1.02 -4.26 116.66 110.94 1ckk n ARG 74 Ca 0.01 0.11 -0.09 0.00 -0.92 0.00 0.00 57.85 56.96 1ckk n ARG 74 Cb 0.11 -1.59 0.12 0.00 0.45 0.00 0.00 32.46 31.54 1ckk n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ckk n LYS 75 N -2.97 1.97 0.00 -0.14 3.00 -1.09 -4.48 118.16 114.44 1ckk n LYS 75 Ca -0.32 -1.60 0.00 0.00 -0.00 0.00 0.00 58.31 56.39 1ckk n LYS 75 Cb 1.09 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1ckk n MET 76 N -0.21 0.00 -1.65 1.64 2.81 -1.26 -4.71 117.12 113.74 1ckk n MET 76 Ca 0.28 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.84 1ckk n MET 76 Cb 1.04 -0.02 -0.04 0.00 -0.71 0.00 0.00 33.22 33.49 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 -1.52 3.47 -0.10 0.03 0.00 -1.26 -4.41 118.16 114.37 1ckk n LYS 77 Ca 0.00 -2.69 -0.21 0.00 0.00 0.00 0.00 58.31 55.40 1ckk n LYS 77 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 35.03 32.55 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckk n ASP 78 N 1.68 1.51 0.00 3.14 9.92 -1.26 -5.01 116.55 126.52 1ckk n ASP 78 Ca 0.57 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 1ckk n ASP 78 Cb 0.42 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1ckk n ASP 78 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1ckk n THR 79 N -3.97 0.00 -2.77 -3.53 5.66 -1.26 -5.03 114.28 103.37 1ckk n THR 79 Ca -0.39 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.18 1ckk n THR 79 Cb 0.76 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.53 1ckk n THR 79 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ckk s ASP 80 N -0.95 6.83 0.00 1.09 1.11 -1.26 -4.82 116.67 118.67 1ckk s ASP 80 Ca 0.00 -2.41 0.00 0.00 0.18 0.00 0.00 52.55 50.32 1ckk s ASP 80 Cb 0.00 -2.48 0.00 0.00 1.07 0.00 0.00 42.92 41.51 1ckk s ASP 80 CO 0.00 -1.05 0.02 -1.54 1.18 0.00 0.00 175.17 173.78 1ckk n SER 81 N 7.14 0.00 0.00 0.27 3.41 -1.26 -4.05 113.62 119.13 1ckk n SER 81 Ca 0.37 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.53 1ckk n SER 81 Cb 0.46 -0.41 0.41 0.00 -0.26 0.00 0.00 64.21 64.42 1ckk n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ckk n GLU 82 N -1.72 0.00 0.22 4.33 1.02 -1.26 -4.12 120.64 119.12 1ckk n GLU 82 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1ckk n GLU 82 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.84 1ckk n GLU 82 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ckk h GLU 83 N 0.00 -0.58 -0.59 3.49 5.08 -1.92 -2.96 114.58 117.11 1ckk h GLU 83 Ca 0.00 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.57 1ckk h GLU 83 Cb 0.50 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ckk h GLU 83 CO 0.00 -0.27 0.48 1.49 -1.00 0.00 0.00 179.01 179.71 1ckk h GLU 84 N -0.95 0.00 0.00 2.33 4.81 -1.72 0.49 114.58 119.54 1ckk h GLU 84 Ca -0.06 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1ckk h GLU 84 Cb 0.57 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1ckk h GLU 84 CO 0.10 0.00 -0.28 0.82 -0.73 0.00 0.00 179.01 178.92 1ckk h ILE 85 N 0.00 1.04 -0.02 2.32 2.04 -1.70 -1.85 117.51 119.35 1ckk h ILE 85 Ca 0.28 -1.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 1ckk h ILE 85 Cb 1.23 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 1ckk h ILE 85 CO -0.00 0.28 -0.32 -0.09 0.00 0.00 0.00 178.15 178.02 1ckk h ARG 86 N 0.00 0.03 -0.01 2.37 2.43 0.05 -0.31 114.38 118.93 1ckk h ARG 86 Ca -0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ckk h ARG 86 Cb 0.56 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ckk h ARG 86 CO 0.04 0.35 -0.08 0.93 -1.51 0.00 0.00 179.97 179.69 1ckk h GLU 87 N 0.03 0.08 -0.06 0.20 5.08 -1.34 -2.38 114.58 116.18 1ckk h GLU 87 Ca 0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ckk h GLU 87 Cb 0.58 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ckk h GLU 87 CO 0.04 0.74 -0.15 0.00 -1.00 0.00 0.00 179.01 178.64 1ckk h ALA 88 N 0.34 1.65 -0.01 3.43 0.00 -1.36 -2.15 119.26 121.16 1ckk h ALA 88 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ckk h ALA 88 Cb 0.75 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ckk h ALA 88 CO 0.02 0.26 -0.00 0.35 0.00 0.00 0.00 179.25 179.88 1ckk h PHE 89 N 0.09 0.01 -0.20 0.00 3.57 -1.02 -2.65 116.94 116.73 1ckk h PHE 89 Ca 0.02 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1ckk h PHE 89 Cb 0.32 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1ckk h PHE 89 CO 0.00 0.33 0.14 0.00 -2.23 0.00 0.00 178.31 176.55 1ckk h ARG 90 N -0.31 0.19 -0.24 1.11 -0.00 -1.13 -1.72 114.38 112.29 1ckk h ARG 90 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1ckk h ARG 90 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.24 1ckk h ARG 90 CO 0.00 0.13 0.14 0.28 0.00 0.00 0.00 179.97 180.52 1ckk h VAL 91 N 0.20 1.10 -0.09 2.04 2.07 -1.06 -2.34 116.25 118.17 1ckk h VAL 91 Ca 0.08 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 1ckk h VAL 91 Cb 0.08 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ckk h VAL 91 CO -0.02 0.09 -0.36 -0.26 0.02 0.00 0.00 177.57 177.05 1ckk h PHE 92 N 0.29 0.20 -0.08 1.57 0.04 -1.07 -3.22 116.94 114.66 1ckk h PHE 92 Ca 0.08 -0.05 -0.46 0.00 2.80 0.00 0.00 57.97 60.35 1ckk h PHE 92 Cb 0.03 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1ckk h PHE 92 CO -0.04 0.52 1.86 -3.47 -0.60 0.00 0.00 178.31 176.57 1ckk n ASP 93 N -4.08 7.15 -0.53 2.17 2.03 -0.72 -4.62 116.55 117.96 1ckk n ASP 93 Ca -0.01 -2.58 0.43 0.00 0.52 0.00 0.00 54.79 53.15 1ckk n ASP 93 Cb 0.43 -1.48 0.74 0.00 -0.72 0.00 0.00 41.12 40.09 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ckk h LYS 94 N 4.05 0.04 0.01 -0.67 3.11 -1.67 0.67 116.57 122.12 1ckk h LYS 94 Ca 0.56 -0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 58.10 1ckk h LYS 94 Cb 0.83 -0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.01 1ckk h LYS 94 CO 1.07 0.03 -1.73 -0.40 -2.81 0.00 0.00 179.45 175.61 1ckk n ASP 95 N -4.27 1.02 0.00 4.20 5.68 -1.26 -4.97 116.55 116.94 1ckk n ASP 95 Ca 0.38 0.40 0.00 0.00 -0.50 0.00 0.00 54.79 55.06 1ckk n ASP 95 Cb 1.62 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 41.44 1ckk n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 96 N 1.60 0.51 0.13 6.12 0.00 0.23 -4.92 105.19 108.86 1ckk n GLY 96 Ca -0.18 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.10 1ckk n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ckk h ASN 97 N 0.00 0.00 -0.11 1.61 7.08 -1.94 -3.46 115.58 118.76 1ckk h ASN 97 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ckk h ASN 97 Cb 0.01 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.25 1ckk h ASN 97 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 1ckk n GLY 98 N 0.65 1.28 3.15 9.14 0.00 -1.26 -5.07 105.19 113.08 1ckk n GLY 98 Ca 0.04 -0.30 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.11 -1.52 0.01 1.61 2.02 -1.26 -4.75 117.35 111.35 1ckk s TYR 99 Ca 0.00 1.40 -0.30 0.00 -0.37 0.00 0.00 57.07 57.79 1ckk s TYR 99 Cb 0.00 0.45 -0.06 0.00 -0.40 0.00 0.00 41.96 41.95 1ckk s TYR 99 CO 0.00 -0.85 1.47 0.42 -1.57 0.00 0.00 175.55 175.02 1ckk s ILE 100 N 2.87 3.55 0.30 2.71 1.01 0.19 -4.78 121.20 127.04 1ckk s ILE 100 Ca 0.16 0.94 0.10 0.00 0.00 0.00 0.00 60.65 61.85 1ckk s ILE 100 Cb -0.13 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 1ckk s ILE 100 CO -0.21 -0.00 -0.03 -0.55 0.00 0.00 0.00 174.94 174.14 1ckk s SER 101 N 2.04 4.21 0.35 3.58 0.15 -1.26 -1.23 113.70 121.54 1ckk s SER 101 Ca 0.66 -0.86 0.07 0.00 0.70 0.00 0.00 55.95 56.53 1ckk s SER 101 Cb -0.33 -0.61 0.77 0.00 -1.71 0.00 0.00 66.02 64.14 1ckk s SER 101 CO 0.28 -0.09 1.89 0.00 1.20 0.00 0.00 173.24 176.52 1ckk h ALA 102 N 1.93 1.77 0.31 5.45 0.00 -1.93 -1.77 119.26 125.03 1ckk h ALA 102 Ca -0.43 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1ckk h ALA 102 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ckk h ALA 102 CO 0.63 0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.74 1ckk h ALA 103 N 1.59 -0.42 -0.99 0.00 0.00 -1.98 -1.64 119.26 115.82 1ckk h ALA 103 Ca 0.42 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1ckk h ALA 103 Cb 0.59 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1ckk h ALA 103 CO -0.19 -0.72 0.63 0.93 0.00 0.00 0.00 179.25 179.90 1ckk h GLU 104 N -0.45 1.04 -0.84 0.00 5.08 -1.68 -0.05 114.58 117.69 1ckk h GLU 104 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ckk h GLU 104 Cb 0.34 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1ckk h GLU 104 CO 0.07 0.69 0.54 -0.07 -1.00 0.00 0.00 179.01 179.24 1ckk h LEU 105 N 1.07 0.98 -1.18 1.33 3.38 -0.92 -1.30 115.31 118.68 1ckk h LEU 105 Ca 0.45 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 1ckk h LEU 105 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ckk h LEU 105 CO -0.20 0.73 0.28 -0.09 0.09 0.00 0.00 178.44 179.24 1ckk h ARG 106 N 1.15 0.85 0.20 1.13 2.43 -0.06 0.18 114.38 120.26 1ckk h ARG 106 Ca 0.31 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1ckk h ARG 106 Cb -0.11 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1ckk h ARG 106 CO -0.06 0.67 -0.09 0.45 -1.51 0.00 0.00 179.97 179.42 1ckk h HIS 107 N 0.85 -0.25 0.00 2.20 3.86 -0.82 -1.25 115.15 119.74 1ckk h HIS 107 Ca 0.21 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1ckk h HIS 107 Cb 0.11 0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1ckk h HIS 107 CO 0.01 0.03 -0.08 0.28 0.86 0.00 0.00 177.93 179.03 1ckk h VAL 108 N -0.51 0.91 0.59 2.45 2.07 -1.18 0.29 116.25 120.87 1ckk h VAL 108 Ca -0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1ckk h VAL 108 Cb 0.39 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1ckk h VAL 108 CO 0.04 0.08 -0.28 -0.03 0.02 0.00 0.00 177.57 177.40 1ckk h MET 109 N 0.00 -0.76 0.00 1.57 -1.53 -0.56 -1.77 114.93 111.88 1ckk h MET 109 Ca -0.00 0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.28 1ckk h MET 109 Cb 0.15 0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 31.37 1ckk h MET 109 CO 0.01 -0.48 -0.12 1.79 0.14 0.00 0.00 176.91 178.25 1ckk h THR 110 N -1.16 1.00 0.00 -0.77 1.35 -1.03 0.11 112.91 112.41 1ckk h THR 110 Ca -0.08 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1ckk h THR 110 Cb 0.63 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1ckk h THR 110 CO 0.13 0.12 0.00 0.59 -0.25 0.00 0.00 175.52 176.11 1ckk n ASN 111 N -4.26 0.00 -0.16 5.36 4.13 0.08 -3.08 115.26 117.33 1ckk n ASN 111 Ca -0.03 0.02 0.02 0.00 1.68 0.00 0.00 54.58 56.27 1ckk n ASN 111 Cb 0.20 -0.33 0.04 0.00 -1.54 0.00 0.00 39.78 38.15 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 -1.33 2.05 0.00 3.41 4.77 -0.01 -4.75 117.00 121.14 1ckk n LEU 112 Ca 0.11 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1ckk n LEU 112 Cb 0.23 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1ckk n LEU 112 CO 0.21 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1ckk n GLY 113 N -0.15 2.22 3.94 -0.72 0.00 -0.96 -5.01 105.19 104.51 1ckk n GLY 113 Ca 0.03 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 3.31 -0.40 1.61 2.12 -1.21 -4.78 118.70 119.35 1ckk s GLU 114 Ca 0.00 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.10 1ckk s GLU 114 Cb 0.00 -2.54 0.16 0.00 0.26 0.00 0.00 34.13 32.01 1ckk s GLU 114 CO 0.00 -0.13 0.34 -1.59 -0.54 0.00 0.00 175.26 173.34 1ckk s LYS 115 N -4.53 0.82 0.19 4.30 0.00 -1.26 -2.70 119.74 116.55 1ckk s LYS 115 Ca 0.45 -1.80 -0.26 0.00 0.00 0.00 0.00 55.97 54.37 1ckk s LYS 115 Cb -0.10 -1.27 -0.16 0.00 0.00 0.00 0.00 37.83 36.31 1ckk s LYS 115 CO 0.39 -1.34 0.47 1.28 0.00 0.00 0.00 175.35 176.15 1ckk n LEU 116 N 3.20 -1.17 0.00 2.77 4.32 -1.26 -4.89 117.00 119.97 1ckk n LEU 116 Ca 0.24 1.03 -0.04 0.00 -0.02 0.00 0.00 56.01 57.22 1ckk n LEU 116 Cb 0.46 -0.87 0.04 0.00 -1.62 0.00 0.00 43.42 41.43 1ckk n LEU 116 CO 0.09 -2.75 0.04 0.41 -1.22 0.00 0.00 177.39 173.96 1ckk n THR 117 N -0.02 0.00 -0.07 -5.08 -1.04 -1.26 -4.56 114.28 102.25 1ckk n THR 117 Ca 0.16 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.07 1ckk n THR 117 Cb 0.23 -0.12 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 1ckk n THR 117 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1ckk h ASP 118 N -1.88 0.00 -0.22 8.00 3.32 -1.98 -2.54 116.42 121.10 1ckk h ASP 118 Ca -0.05 -0.47 0.06 0.00 0.02 0.00 0.00 57.03 56.59 1ckk h ASP 118 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1ckk h ASP 118 CO 0.03 0.91 0.16 1.05 -1.72 0.00 0.00 179.24 179.66 1ckk h GLU 119 N -1.00 0.03 0.09 3.56 -0.00 -1.99 0.23 114.58 115.51 1ckk h GLU 119 Ca -0.06 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.29 1ckk h GLU 119 Cb 0.69 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.43 1ckk h GLU 119 CO -0.04 0.02 -0.05 1.49 -0.00 0.00 0.00 179.01 180.44 1ckk h GLU 120 N 0.03 -0.12 -0.59 1.06 4.57 -1.91 -2.61 114.58 115.02 1ckk h GLU 120 Ca 0.10 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.35 1ckk h GLU 120 Cb 0.38 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1ckk h GLU 120 CO -0.00 0.40 0.39 0.28 -1.18 0.00 0.00 179.01 178.90 1ckk h VAL 121 N -0.81 1.00 -0.51 0.32 2.07 -0.96 -0.26 116.25 117.10 1ckk h VAL 121 Ca -0.01 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1ckk h VAL 121 Cb 0.58 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1ckk h VAL 121 CO 0.02 0.10 0.25 -0.78 0.02 0.00 0.00 177.57 177.19 1ckk h ASP 122 N 0.57 0.66 0.51 0.57 3.58 -0.53 -1.59 116.42 120.19 1ckk h ASP 122 Ca 0.25 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 1ckk h ASP 122 Cb 0.27 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1ckk h ASP 122 CO -0.07 0.59 -0.43 -0.33 -2.88 0.00 0.00 179.24 176.12 1ckk h GLU 123 N 0.68 0.00 -0.35 0.28 4.39 -0.83 -0.82 114.58 117.93 1ckk h GLU 123 Ca 0.18 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1ckk h GLU 123 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1ckk h GLU 123 CO -0.02 0.43 0.02 1.98 -1.16 0.00 0.00 179.01 180.25 1ckk h MET 124 N 0.00 0.61 0.00 2.33 4.05 -0.30 0.11 114.93 121.73 1ckk h MET 124 Ca -0.00 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.22 1ckk h MET 124 Cb 0.80 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 1ckk h MET 124 CO 0.06 0.71 -0.04 0.82 0.23 0.00 0.00 176.91 178.69 1ckk h ILE 125 N 0.43 1.62 -0.35 1.77 1.08 -1.19 -2.15 117.51 118.72 1ckk h ILE 125 Ca 0.10 -1.89 0.04 0.00 -0.39 0.00 0.00 64.86 62.72 1ckk h ILE 125 Cb 0.43 2.90 -0.04 0.00 -3.07 0.00 0.00 36.82 37.03 1ckk h ILE 125 CO 0.01 0.50 0.11 0.03 -0.69 0.00 0.00 178.15 178.11 1ckk h ARG 126 N -0.75 0.24 -0.55 2.37 2.47 -1.19 0.59 114.38 117.56 1ckk h ARG 126 Ca -0.01 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 1ckk h ARG 126 Cb 0.84 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 1ckk h ARG 126 CO 0.01 0.16 0.30 0.93 0.56 0.00 0.00 179.97 181.92 1ckk h GLU 127 N 0.25 0.77 -0.11 0.04 4.39 -0.86 -2.28 114.58 116.78 1ckk h GLU 127 Ca 0.16 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 1ckk h GLU 127 Cb 0.15 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1ckk h GLU 127 CO -0.18 0.60 -0.37 0.00 -1.16 0.00 0.00 179.01 177.90 1ckk h ALA 128 N 1.13 1.18 -1.49 3.43 0.00 -0.72 -3.40 119.26 119.39 1ckk h ALA 128 Ca 0.19 -0.38 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 1ckk h ALA 128 Cb 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ckk h ALA 128 CO -0.03 0.55 1.29 -0.51 0.00 0.00 0.00 179.25 180.56 1ckk s ASP 129 N -6.88 5.47 0.38 0.00 1.01 0.20 -4.83 116.67 112.02 1ckk s ASP 129 Ca -0.04 0.26 0.14 0.00 0.71 0.00 0.00 52.55 53.61 1ckk s ASP 129 Cb 0.14 -2.53 0.97 0.00 1.01 0.00 0.00 42.92 42.51 1ckk s ASP 129 CO 0.76 -2.24 1.83 0.40 0.21 0.00 0.00 175.17 176.14 1ckk h ILE 130 N 6.73 0.69 0.00 0.77 1.08 -1.81 -1.86 117.51 123.11 1ckk h ILE 130 Ca -0.27 -0.18 -0.19 0.00 -0.39 0.00 0.00 64.86 63.84 1ckk h ILE 130 Cb 1.14 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.97 1ckk h ILE 130 CO 1.22 0.10 -2.15 -0.90 -0.69 0.00 0.00 178.15 175.72 1ckk n ASP 131 N -4.59 0.05 -2.29 1.72 5.75 -1.26 -5.02 116.55 110.92 1ckk n ASP 131 Ca 0.21 0.02 -0.09 0.00 -0.01 0.00 0.00 54.79 54.92 1ckk n ASP 131 Cb 0.66 1.42 0.04 0.00 -1.03 0.00 0.00 41.12 42.21 1ckk n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 132 N 1.50 -0.01 0.13 6.12 0.00 -0.70 -4.94 105.19 107.28 1ckk n GLY 132 Ca -0.18 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.77 1ckk n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ckk h ASP 133 N -0.90 0.00 0.00 1.61 3.04 -1.95 -3.47 116.42 114.75 1ckk h ASP 133 Ca -0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 1ckk h ASP 133 Cb 1.17 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1ckk h ASP 133 CO 0.25 0.38 0.00 0.61 -2.04 0.00 0.00 179.24 178.45 1ckk n GLY 134 N 1.27 0.46 3.65 7.15 0.00 -1.26 -5.13 105.19 111.32 1ckk n GLY 134 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.87 0.15 1.61 0.00 -1.26 -4.66 119.66 116.36 1ckk s GLN 135 Ca 0.00 -0.44 0.03 0.00 -0.00 0.00 0.00 55.36 54.96 1ckk s GLN 135 Cb 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 33.01 33.30 1ckk s GLN 135 CO 0.00 -0.39 0.21 0.08 0.00 0.00 0.00 175.29 175.19 1ckk s VAL 136 N -3.00 4.95 0.00 3.63 1.01 -0.36 -4.82 120.40 121.81 1ckk s VAL 136 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1ckk s VAL 136 Cb -0.00 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ckk s VAL 136 CO -0.02 -0.08 0.00 -0.46 0.00 0.00 0.00 175.10 174.54 1ckk n ASN 137 N -0.37 0.00 0.00 3.32 6.94 -1.26 0.55 115.26 124.44 1ckk n ASN 137 Ca -0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1ckk n ASN 137 Cb 0.54 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.96 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1ckk h TYR 138 N 0.00 -0.02 -0.83 -2.53 5.03 -1.99 -2.66 116.97 113.97 1ckk h TYR 138 Ca 0.00 -0.00 0.21 0.00 2.58 0.00 0.00 58.73 61.52 1ckk h TYR 138 Cb 0.00 0.01 -0.14 0.00 1.55 0.00 0.00 36.73 38.14 1ckk h TYR 138 CO 0.00 -0.01 0.10 0.93 -1.32 0.00 0.00 178.16 177.86 1ckk h GLU 139 N -0.12 0.13 0.69 1.82 5.08 -1.99 -1.21 114.58 118.97 1ckk h GLU 139 Ca -0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ckk h GLU 139 Cb 0.01 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ckk h GLU 139 CO 0.00 0.09 -0.33 0.93 -1.00 0.00 0.00 179.01 178.70 1ckk h GLU 140 N 0.13 -0.89 -0.07 2.33 5.08 -1.97 0.29 114.58 119.49 1ckk h GLU 140 Ca 0.49 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.93 1ckk h GLU 140 Cb 0.94 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ckk h GLU 140 CO -0.69 -0.58 0.48 0.35 -1.00 0.00 0.00 179.01 177.57 1ckk h PHE 141 N -0.97 0.00 0.00 4.33 3.57 -0.88 -2.42 116.94 120.57 1ckk h PHE 141 Ca -0.09 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 1ckk h PHE 141 Cb 0.72 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1ckk h PHE 141 CO -0.02 0.00 -0.83 0.28 -2.23 0.00 0.00 178.31 175.51 1ckk n VAL 142 N -2.91 1.46 -0.61 1.41 0.31 -0.69 -4.13 118.33 113.17 1ckk n VAL 142 Ca -0.00 0.14 0.48 0.00 -0.01 0.00 0.00 64.34 64.96 1ckk n VAL 142 Cb 0.54 -2.33 0.80 0.00 -0.91 0.00 0.00 33.84 31.94 1ckk n VAL 142 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ckk h GLN 143 N -1.00 0.01 -0.04 5.55 4.15 -0.06 2.04 115.11 125.75 1ckk h GLN 143 Ca -0.06 -0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1ckk h GLN 143 Cb 0.79 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 1ckk h GLN 143 CO -0.04 0.00 -0.46 0.52 -1.93 0.00 0.00 178.83 176.92 1ckk h MET 144 N 0.01 0.09 0.00 1.69 2.86 -1.62 -3.12 114.93 114.84 1ckk h MET 144 Ca 0.85 -0.05 -0.28 0.00 -2.06 0.00 0.00 59.70 58.16 1ckk h MET 144 Cb 3.36 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 34.97 1ckk h MET 144 CO -0.03 0.54 -1.91 -0.12 1.06 0.00 0.00 176.91 176.45 1ckk n MET 145 N -3.98 0.65 -0.54 1.72 0.00 0.67 -4.13 117.12 111.50 1ckk n MET 145 Ca -0.02 0.15 -0.11 0.00 -0.00 0.00 0.00 57.70 57.73 1ckk n MET 145 Cb 0.50 -1.69 0.08 0.00 0.00 0.00 0.00 33.22 32.11 1ckk n MET 145 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ckk n THR 146 N -2.87 1.97 -0.73 1.12 -2.24 0.28 -4.68 114.28 107.13 1ckk n THR 146 Ca -0.20 -0.84 -0.15 0.00 -2.27 0.00 0.00 64.05 60.58 1ckk n THR 146 Cb 1.02 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckk n ALA 147 N -0.22 4.82 -0.84 6.98 0.00 -1.18 -4.95 120.51 125.12 1ckk n ALA 147 Ca 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 52.04 1ckk n ALA 147 Cb 1.02 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1ckk n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86