#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 -0.68 -4.80 0.00 5.75 -1.26 -5.13 116.55 110.43 1ckk n ASP 2 Ca 0.00 -2.17 -0.33 0.00 -0.01 0.00 0.00 54.79 52.27 1ckk n ASP 2 Cb 0.00 0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1ckk s GLN 3 N -0.90 3.61 0.92 0.11 1.11 -1.26 -5.02 119.66 118.25 1ckk s GLN 3 Ca 0.14 1.30 -0.11 0.00 0.01 0.00 0.00 55.36 56.69 1ckk s GLN 3 Cb 0.42 -2.07 0.15 0.00 -1.01 0.00 0.00 33.01 30.49 1ckk s GLN 3 CO -0.11 -0.58 1.09 -0.51 0.01 0.00 0.00 175.29 175.19 1ckk s LEU 4 N -3.89 2.24 -0.43 2.90 1.43 -1.26 -4.96 118.68 114.72 1ckk s LEU 4 Ca 0.66 1.66 0.04 0.00 -1.03 0.00 0.00 54.13 55.45 1ckk s LEU 4 Cb -0.16 -4.02 0.45 0.00 0.03 0.00 0.00 46.19 42.48 1ckk s LEU 4 CO 0.27 -2.89 1.46 0.35 0.23 0.00 0.00 176.35 175.77 1ckk n THR 5 N -4.06 2.88 -0.24 5.49 -2.24 -1.26 -4.80 114.28 110.04 1ckk n THR 5 Ca 0.07 -3.89 0.05 0.00 -2.27 0.00 0.00 64.05 58.01 1ckk n THR 5 Cb 0.54 -1.16 0.16 0.00 -2.10 0.00 0.00 70.33 67.77 1ckk n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ckk h GLU 6 N 2.18 0.16 -0.68 -0.78 4.57 -2.00 -2.14 114.58 115.89 1ckk h GLU 6 Ca 0.44 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.67 1ckk h GLU 6 Cb 1.24 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.71 1ckk h GLU 6 CO 1.03 0.11 -0.45 0.93 -1.18 0.00 0.00 179.01 179.45 1ckk h GLU 7 N 0.17 -0.06 -0.53 1.92 4.39 -1.99 0.42 114.58 118.91 1ckk h GLU 7 Ca 0.40 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.19 1ckk h GLU 7 Cb 0.69 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.25 1ckk h GLU 7 CO -0.57 -0.04 -0.41 1.96 -1.16 0.00 0.00 179.01 178.79 1ckk h GLN 8 N -0.06 -0.24 -0.75 2.33 1.08 -1.79 0.26 115.11 115.94 1ckk h GLN 8 Ca 0.11 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.44 1ckk h GLN 8 Cb 0.34 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.74 1ckk h GLN 8 CO -0.67 -0.16 0.35 0.82 -0.95 0.00 0.00 178.83 178.22 1ckk h ILE 9 N -0.25 0.76 -0.57 2.54 2.04 -0.82 -2.28 117.51 118.93 1ckk h ILE 9 Ca 0.18 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.91 1ckk h ILE 9 Cb 0.57 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 36.72 1ckk h ILE 9 CO -0.65 0.10 -0.56 0.00 0.00 0.00 0.00 178.15 177.04 1ckk h ALA 10 N 1.49 -0.71 -0.03 1.87 0.00 0.33 0.73 119.26 122.94 1ckk h ALA 10 Ca 0.39 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.37 1ckk h ALA 10 Cb 0.51 1.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1ckk h ALA 10 CO -0.33 -1.02 -0.33 1.49 0.00 0.00 0.00 179.25 179.06 1ckk h GLU 11 N -0.28 -0.45 -0.68 0.00 4.22 -1.12 0.27 114.58 116.55 1ckk h GLU 11 Ca 0.10 0.03 0.20 0.00 0.08 0.00 0.00 59.36 59.76 1ckk h GLU 11 Cb 0.53 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1ckk h GLU 11 CO -0.68 -0.30 0.49 0.74 -2.18 0.00 0.00 179.01 177.08 1ckk h PHE 12 N -0.46 0.01 -0.50 0.92 0.04 -0.86 0.47 116.94 116.56 1ckk h PHE 12 Ca 0.07 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 1ckk h PHE 12 Cb 0.56 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1ckk h PHE 12 CO -0.36 0.00 0.03 -0.22 -0.60 0.00 0.00 178.31 177.16 1ckk h LYS 13 N 0.01 0.80 -0.34 1.51 3.64 0.40 -1.65 116.57 120.95 1ckk h LYS 13 Ca 0.32 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ckk h LYS 13 Cb 1.28 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1ckk h LYS 13 CO -0.01 0.79 0.19 0.93 -2.27 0.00 0.00 179.45 179.08 1ckk h GLU 14 N 0.76 0.46 -0.12 1.90 4.39 0.65 0.51 114.58 123.13 1ckk h GLU 14 Ca 0.15 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ckk h GLU 14 Cb 0.41 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1ckk h GLU 14 CO 0.01 0.38 0.07 0.00 -1.16 0.00 0.00 179.01 178.32 1ckk h ALA 15 N 1.06 0.16 -0.81 3.43 0.00 -1.24 0.69 119.26 122.55 1ckk h ALA 15 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ckk h ALA 15 Cb 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ckk h ALA 15 CO -0.02 -0.34 0.35 0.35 0.00 0.00 0.00 179.25 179.60 1ckk h PHE 16 N 0.14 1.19 -0.01 0.00 3.57 -1.04 -1.85 116.94 118.94 1ckk h PHE 16 Ca 0.04 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1ckk h PHE 16 Cb 0.02 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1ckk h PHE 16 CO -0.06 0.88 -0.54 0.77 -2.23 0.00 0.00 178.31 177.14 1ckk h SER 17 N 1.16 0.03 -0.60 0.41 0.02 0.48 -2.70 113.55 112.35 1ckk h SER 17 Ca 0.27 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1ckk h SER 17 Cb 0.17 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1ckk h SER 17 CO -0.03 0.56 0.38 0.25 -1.14 0.00 0.00 176.83 176.86 1ckk h LEU 18 N 0.02 0.65 0.14 5.07 6.46 0.12 -3.05 115.31 124.73 1ckk h LEU 18 Ca -0.00 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1ckk h LEU 18 Cb 0.96 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1ckk h LEU 18 CO 0.07 0.46 -0.07 -0.26 -0.62 0.00 0.00 178.44 178.03 1ckk h PHE 19 N 0.78 -0.18 -2.50 1.25 0.04 -1.37 -3.41 116.94 111.56 1ckk h PHE 19 Ca 0.23 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.43 1ckk h PHE 19 Cb -0.05 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 1ckk h PHE 19 CO -0.04 0.25 1.31 0.34 -0.60 0.00 0.00 178.31 179.57 1ckk s ASP 20 N -5.44 5.74 0.00 2.17 2.15 -1.03 -4.54 116.67 115.71 1ckk s ASP 20 Ca -0.14 1.24 0.25 0.00 0.43 0.00 0.00 52.55 54.32 1ckk s ASP 20 Cb 0.01 -2.52 1.19 0.00 -0.30 0.00 0.00 42.92 41.30 1ckk s ASP 20 CO 0.57 -1.84 1.80 1.17 -0.17 0.00 0.00 175.17 176.70 1ckk n LYS 21 N 8.56 1.34 0.00 4.34 3.00 -1.26 -4.45 118.16 129.69 1ckk n LYS 21 Ca 0.24 -0.50 -0.00 0.00 -0.00 0.00 0.00 58.31 58.04 1ckk n LYS 21 Cb 0.47 -1.41 -0.00 0.00 0.00 0.00 0.00 35.03 34.09 1ckk n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ckk n ASP 22 N -0.33 0.16 0.00 3.14 5.75 -1.26 -5.08 116.55 118.93 1ckk n ASP 22 Ca 0.18 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1ckk n ASP 22 Cb 0.21 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 23 N 3.26 0.42 0.00 6.12 0.00 -1.26 -5.03 105.19 108.70 1ckk n GLY 23 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.70 -0.02 1.61 5.68 -1.26 -4.95 116.55 118.32 1ckk n ASP 24 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 54.79 53.74 1ckk n ASP 24 Cb 0.00 0.57 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 25 N 1.50 0.50 3.31 6.12 0.00 -1.26 -5.05 105.19 110.31 1ckk n GLY 25 Ca 0.05 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.04 -0.39 -0.25 2.61 -4.23 -1.25 -4.39 115.64 105.70 1ckk s THR 26 Ca 0.00 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.45 1ckk s THR 26 Cb 0.00 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 73.13 1ckk s THR 26 CO 0.00 0.05 0.51 -0.63 -0.54 0.00 0.00 174.62 174.01 1ckk s ILE 27 N 2.10 5.08 0.44 2.99 1.01 -0.27 -4.83 121.20 127.72 1ckk s ILE 27 Ca -0.05 0.88 0.08 0.00 0.00 0.00 0.00 60.65 61.56 1ckk s ILE 27 Cb -0.10 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1ckk s ILE 27 CO -0.13 0.10 0.60 0.42 0.00 0.00 0.00 174.94 175.92 1ckk s THR 28 N 2.19 2.87 0.39 2.92 -4.23 -1.26 -2.59 115.64 115.94 1ckk s THR 28 Ca 0.21 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.79 1ckk s THR 28 Cb -0.16 -2.88 0.22 0.00 1.34 0.00 0.00 72.50 71.02 1ckk s THR 28 CO 0.09 0.00 1.99 0.71 -0.54 0.00 0.00 174.62 176.87 1ckk h THR 29 N 0.58 1.14 0.47 3.99 1.35 -1.94 -2.48 112.91 116.02 1ckk h THR 29 Ca -0.39 -0.45 -0.02 0.00 -0.55 0.00 0.00 66.41 65.00 1ckk h THR 29 Cb 1.28 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1ckk h THR 29 CO 0.45 0.17 -0.23 0.50 -0.25 0.00 0.00 175.52 176.16 1ckk h LYS 30 N 0.43 -0.61 -0.02 4.72 3.64 -1.98 -0.91 116.57 121.84 1ckk h LYS 30 Ca 0.11 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1ckk h LYS 30 Cb 0.14 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1ckk h LYS 30 CO -0.01 -0.37 -0.18 0.93 -2.27 0.00 0.00 179.45 177.55 1ckk h GLU 31 N -1.13 -0.20 -0.83 1.90 5.08 -1.90 -0.18 114.58 117.32 1ckk h GLU 31 Ca -0.06 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1ckk h GLU 31 Cb 0.52 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 1ckk h GLU 31 CO 0.11 -0.14 0.31 1.25 -1.00 0.00 0.00 179.01 179.54 1ckk h LEU 32 N -0.21 0.22 -0.82 1.33 5.85 -1.58 0.30 115.31 120.39 1ckk h LEU 32 Ca 0.01 0.14 0.16 0.00 0.84 0.00 0.00 57.88 59.03 1ckk h LEU 32 Cb 0.24 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 1ckk h LEU 32 CO -0.14 0.01 0.38 1.23 -0.34 0.00 0.00 178.44 179.58 1ckk h GLY 33 N 0.37 1.32 0.97 3.75 0.00 0.16 0.34 103.07 110.00 1ckk h GLY 33 Ca 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ckk h GLY 33 CO -0.50 -0.11 0.09 -0.84 0.00 0.00 0.00 176.54 175.18 1ckk h THR 34 N 0.51 1.06 -0.48 4.70 2.02 0.13 0.77 112.91 121.63 1ckk h THR 34 Ca 0.46 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.45 1ckk h THR 34 Cb 0.73 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1ckk h THR 34 CO -0.41 0.06 0.11 0.58 0.37 0.00 0.00 175.52 176.23 1ckk h VAL 35 N 0.16 1.24 0.00 3.16 2.07 -0.80 -1.65 116.25 120.44 1ckk h VAL 35 Ca 0.05 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1ckk h VAL 35 Cb 0.02 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1ckk h VAL 35 CO -0.01 0.30 -0.25 0.24 0.02 0.00 0.00 177.57 177.87 1ckk h MET 36 N 0.64 0.00 0.00 1.57 2.86 -0.14 -2.61 114.93 117.25 1ckk h MET 36 Ca 0.15 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1ckk h MET 36 Cb 0.33 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 1ckk h MET 36 CO 0.00 0.25 -0.11 -0.09 1.06 0.00 0.00 176.91 178.02 1ckk h ARG 37 N 0.00 0.00 0.17 1.72 2.43 0.11 -3.31 114.38 115.49 1ckk h ARG 37 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1ckk h ARG 37 Cb 0.74 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1ckk h ARG 37 CO 0.03 0.11 -1.69 0.77 -1.51 0.00 0.00 179.97 177.68 1ckk h SER 38 N 0.00 0.55 -1.46 -3.80 0.02 -0.95 -3.33 113.55 104.58 1ckk h SER 38 Ca -0.00 -0.92 0.43 0.00 -0.84 0.00 0.00 61.79 60.46 1ckk h SER 38 Cb 1.04 -0.18 -0.08 0.00 0.14 0.00 0.00 62.40 63.32 1ckk h SER 38 CO 0.01 1.76 1.01 -0.07 -1.14 0.00 0.00 176.83 178.41 1ckk h LEU 39 N 0.01 0.11 0.00 5.07 3.38 -1.59 -3.43 115.31 118.86 1ckk h LEU 39 Ca -0.34 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ckk h LEU 39 Cb 2.02 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.80 1ckk h LEU 39 CO 0.14 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1ckk n GLY 40 N -1.72 0.25 0.00 0.83 0.00 -1.25 -4.85 105.19 98.44 1ckk n GLY 40 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.46 -3.52 1.61 1.13 -1.25 -5.08 117.38 108.81 1ckk n GLN 41 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1ckk n GLN 41 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 1ckk n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1ckk s ASN 42 N -3.12 3.19 0.00 1.08 0.01 -1.26 -4.54 114.94 110.30 1ckk s ASN 42 Ca 0.00 -2.07 -0.30 0.00 -0.71 0.00 0.00 52.86 49.78 1ckk s ASN 42 Cb 0.00 -0.49 -0.05 0.00 0.41 0.00 0.00 41.25 41.12 1ckk s ASN 42 CO 0.00 -0.33 1.30 -2.16 -1.51 0.00 0.00 177.10 174.40 1ckk s PRO 43 N 1.17 4.34 0.38 -0.60 0.04 -1.26 -5.03 135.00 134.04 1ckk s PRO 43 Ca 0.16 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1ckk s PRO 43 Cb -0.22 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 1ckk s PRO 43 CO -0.06 -0.46 0.58 0.99 0.04 0.00 0.00 177.00 178.09 1ckk s THR 44 N 1.98 4.69 0.08 1.26 2.01 -1.26 -4.87 115.64 119.54 1ckk s THR 44 Ca 0.60 -0.51 -0.34 0.00 0.31 0.00 0.00 61.69 61.76 1ckk s THR 44 Cb -0.29 -3.71 -0.16 0.00 0.01 0.00 0.00 72.50 68.34 1ckk s THR 44 CO 0.26 -0.46 1.52 -0.08 -0.69 0.00 0.00 174.62 175.17 1ckk h GLU 45 N 0.65 -0.92 -0.86 4.92 4.57 -1.97 0.92 114.58 121.89 1ckk h GLU 45 Ca -0.48 0.06 0.21 0.00 -1.18 0.00 0.00 59.36 57.97 1ckk h GLU 45 Cb 1.23 0.21 -0.13 0.00 -0.16 0.00 0.00 28.75 29.90 1ckk h GLU 45 CO 0.59 -0.61 0.29 0.00 -1.18 0.00 0.00 179.01 178.10 1ckk h ALA 46 N -0.96 1.28 -0.30 2.92 0.00 -1.99 0.59 119.26 120.79 1ckk h ALA 46 Ca -0.06 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1ckk h ALA 46 Cb 0.83 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ckk h ALA 46 CO -0.06 -0.39 -0.29 0.93 0.00 0.00 0.00 179.25 179.45 1ckk h GLU 47 N 0.30 0.73 -0.37 0.00 4.39 -1.76 -2.37 114.58 115.50 1ckk h GLU 47 Ca 0.53 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1ckk h GLU 47 Cb 1.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1ckk h GLU 47 CO -0.57 1.00 0.00 -0.07 -1.16 0.00 0.00 179.01 178.21 1ckk h LEU 48 N 0.48 0.55 -0.45 1.33 3.38 0.37 -2.06 115.31 118.91 1ckk h LEU 48 Ca 0.05 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1ckk h LEU 48 Cb 0.86 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1ckk h LEU 48 CO 0.07 0.62 -0.16 -0.61 0.09 0.00 0.00 178.44 178.45 1ckk h GLN 49 N 0.55 0.91 0.00 1.13 5.75 0.15 -1.93 115.11 121.66 1ckk h GLN 49 Ca 0.12 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.21 1ckk h GLN 49 Cb 0.35 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1ckk h GLN 49 CO 0.01 1.02 -0.17 -0.44 -2.65 0.00 0.00 178.83 176.60 1ckk h ASP 50 N 0.74 0.00 0.04 -0.69 3.32 -1.06 -1.97 116.42 116.80 1ckk h ASP 50 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1ckk h ASP 50 Cb 0.71 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.28 1ckk h ASP 50 CO 0.05 0.17 -0.50 0.24 -1.72 0.00 0.00 179.24 177.49 1ckk h MET 51 N 0.00 0.26 -0.37 3.56 2.86 -0.97 -3.27 114.93 117.00 1ckk h MET 51 Ca -0.00 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.24 1ckk h MET 51 Cb 0.49 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1ckk h MET 51 CO 0.02 1.08 -0.01 0.97 1.06 0.00 0.00 176.91 180.03 1ckk h ILE 52 N -0.40 1.21 0.00 -1.22 6.09 -1.21 -1.57 117.51 120.42 1ckk h ILE 52 Ca -0.07 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 1ckk h ILE 52 Cb 1.29 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.53 1ckk h ILE 52 CO 0.10 0.30 0.00 0.78 -3.07 0.00 0.00 178.15 176.25 1ckk h ASN 53 N 0.56 0.00 0.70 2.19 2.35 -1.42 0.38 115.58 120.34 1ckk h ASN 53 Ca 0.12 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.60 1ckk h ASN 53 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1ckk h ASN 53 CO 0.01 0.00 -1.25 -0.08 -1.65 0.00 0.00 177.43 174.46 1ckk h GLU 54 N 0.00 0.17 0.00 0.81 4.81 -1.33 -3.34 114.58 115.71 1ckk h GLU 54 Ca 0.00 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1ckk h GLU 54 Cb 0.13 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ckk h GLU 54 CO 0.00 1.09 -1.25 0.28 -0.73 0.00 0.00 179.01 178.40 1ckk n VAL 55 N -3.43 0.00 -1.58 0.32 0.31 -0.71 -4.81 118.33 108.43 1ckk n VAL 55 Ca -0.08 -0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 63.89 1ckk n VAL 55 Cb 1.00 0.62 -0.12 0.00 -0.91 0.00 0.00 33.84 34.44 1ckk n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ckk s ASP 56 N -3.27 3.35 0.08 4.52 2.15 0.12 -4.55 116.67 119.08 1ckk s ASP 56 Ca 0.01 -0.89 0.23 0.00 0.43 0.00 0.00 52.55 52.34 1ckk s ASP 56 Cb 0.13 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 40.20 1ckk s ASP 56 CO 0.74 -4.83 1.03 0.00 -0.17 0.00 0.00 175.17 171.94 1ckk n ALA 57 N 19.99 3.16 0.11 3.66 0.00 -1.26 -4.20 120.51 141.97 1ckk n ALA 57 Ca 0.42 -0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 1ckk n ALA 57 Cb 0.47 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 1ckk n ALA 57 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ckk h ASP 58 N 0.00 0.73 0.00 0.00 3.32 -1.92 -3.48 116.42 115.07 1ckk h ASP 58 Ca 0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 1ckk h ASP 58 Cb 0.79 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ckk h ASP 58 CO 0.00 1.73 0.00 0.61 -1.72 0.00 0.00 179.24 179.86 1ckk n GLY 59 N 1.77 1.07 0.11 2.75 0.00 -1.26 -5.00 105.19 104.64 1ckk n GLY 59 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1ckk n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ckk h ASN 60 N 0.00 0.16 0.00 1.61 -1.07 -1.93 -3.49 115.58 110.86 1ckk h ASN 60 Ca 0.00 -0.71 0.00 0.00 0.07 0.00 0.00 56.30 55.66 1ckk h ASN 60 Cb 0.00 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.20 1ckk h ASN 60 CO 0.00 1.54 0.00 0.61 0.07 0.00 0.00 177.43 179.65 1ckk n GLY 61 N 1.61 1.44 3.68 9.14 0.00 -1.26 -5.12 105.19 114.69 1ckk n GLY 61 Ca -0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.79 2.20 -0.04 2.61 -4.23 -1.26 -4.95 115.64 109.18 1ckk s THR 62 Ca 0.00 -1.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 1ckk s THR 62 Cb 0.00 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 1ckk s THR 62 CO 0.00 -0.01 0.36 -0.63 -0.54 0.00 0.00 174.62 173.79 1ckk s ILE 63 N -2.64 5.14 0.44 2.99 -1.09 -1.07 -4.82 121.20 120.15 1ckk s ILE 63 Ca 0.38 0.71 0.06 0.00 -2.23 0.00 0.00 60.65 59.57 1ckk s ILE 63 Cb 0.06 -3.66 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1ckk s ILE 63 CO 0.20 0.56 0.09 -1.81 -1.23 0.00 0.00 174.94 172.75 1ckk s ASP 64 N -0.85 4.14 0.25 3.58 1.11 -1.26 -1.12 116.67 122.51 1ckk s ASP 64 Ca 0.22 -1.32 -0.05 0.00 0.18 0.00 0.00 52.55 51.58 1ckk s ASP 64 Cb -0.15 -0.22 0.27 0.00 1.07 0.00 0.00 42.92 43.88 1ckk s ASP 64 CO 0.11 -0.59 1.82 0.15 1.18 0.00 0.00 175.17 177.84 1ckk h PHE 65 N 1.53 1.08 0.00 4.23 3.57 -1.99 -2.14 116.94 123.22 1ckk h PHE 65 Ca -0.43 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 1ckk h PHE 65 Cb 1.26 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1ckk h PHE 65 CO 0.85 0.82 -0.23 -1.00 -2.23 0.00 0.00 178.31 176.52 1ckk h PRO 66 N 1.05 0.00 -0.15 6.41 0.13 -1.96 -2.36 132.00 135.12 1ckk h PRO 66 Ca 0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1ckk h PRO 66 Cb 0.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1ckk h PRO 66 CO -0.02 0.23 -0.43 0.93 -0.23 0.00 0.00 178.00 178.48 1ckk h GLU 67 N 0.00 0.35 -0.09 0.86 5.08 -1.78 -2.67 114.58 116.32 1ckk h GLU 67 Ca -0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1ckk h GLU 67 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ckk h GLU 67 CO 0.03 0.72 -0.04 0.35 -1.00 0.00 0.00 179.01 179.07 1ckk h PHE 68 N 0.29 0.21 -0.81 4.33 3.04 -1.23 0.37 116.94 123.13 1ckk h PHE 68 Ca 0.02 -0.05 0.10 0.00 3.98 0.00 0.00 57.97 62.02 1ckk h PHE 68 Cb 0.88 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.29 1ckk h PHE 68 CO 0.02 0.55 0.53 -0.07 -2.02 0.00 0.00 178.31 177.32 1ckk h LEU 69 N -0.19 0.66 0.00 0.59 -0.00 -1.43 -1.65 115.31 113.29 1ckk h LEU 69 Ca 0.02 0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.77 1ckk h LEU 69 Cb 0.49 -0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 1ckk h LEU 69 CO 0.01 0.39 -1.16 0.74 -0.00 0.00 0.00 178.44 178.43 1ckk h THR 70 N 0.73 0.59 0.73 0.22 2.02 -1.34 -3.36 112.91 112.52 1ckk h THR 70 Ca 0.38 -2.04 -0.04 0.00 0.77 0.00 0.00 66.41 65.48 1ckk h THR 70 Cb 0.48 2.13 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1ckk h THR 70 CO -0.15 0.34 -0.35 -0.03 0.37 0.00 0.00 175.52 175.70 1ckk h MET 71 N 0.00 -0.95 -1.21 6.66 1.85 0.70 -0.26 114.93 121.72 1ckk h MET 71 Ca -0.11 0.06 0.35 0.00 -0.61 0.00 0.00 59.70 59.39 1ckk h MET 71 Cb 1.52 0.22 -0.07 0.00 0.43 0.00 0.00 31.60 33.69 1ckk h MET 71 CO 0.05 -0.63 0.84 1.98 -0.40 0.00 0.00 176.91 178.75 1ckk h MET 72 N -1.12 0.11 0.00 0.39 -1.53 -1.66 0.99 114.93 112.11 1ckk h MET 72 Ca -0.10 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1ckk h MET 72 Cb 0.76 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.78 1ckk h MET 72 CO 0.17 0.07 -0.47 0.00 0.14 0.00 0.00 176.91 176.82 1ckk n ALA 73 N -2.68 3.24 0.90 0.39 0.00 -1.06 -3.48 120.51 117.82 1ckk n ALA 73 Ca 0.28 -0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1ckk n ALA 73 Cb 1.22 -1.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.65 0.06 -0.03 0.00 0.63 0.33 -4.29 116.66 111.70 1ckk n ARG 74 Ca 0.05 -0.02 0.05 0.00 -0.92 0.00 0.00 57.85 57.02 1ckk n ARG 74 Cb 0.36 -1.50 -0.17 0.00 0.45 0.00 0.00 32.46 31.60 1ckk n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ckk n LYS 75 N -1.58 0.67 -2.62 -0.14 4.01 -0.53 -4.53 118.16 113.45 1ckk n LYS 75 Ca 0.03 -0.15 -0.41 0.00 -0.51 0.00 0.00 58.31 57.28 1ckk n LYS 75 Cb 0.35 -1.52 0.02 0.00 -0.51 0.00 0.00 35.03 33.37 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1ckk n MET 76 N -2.39 5.41 0.00 1.97 2.81 -1.23 -4.29 117.12 119.40 1ckk n MET 76 Ca -0.12 -4.61 0.00 0.00 -1.81 0.00 0.00 57.70 51.16 1ckk n MET 76 Cb 0.73 -2.48 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 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 0.04 0.00 -2.68 0.03 4.81 -1.26 -5.01 118.16 114.09 1ckk n LYS 77 Ca 0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.86 1ckk n LYS 77 Cb 0.26 -0.43 0.09 0.00 0.02 0.00 0.00 35.03 34.96 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckk n ASP 78 N -1.10 -1.60 -3.12 3.14 -0.08 -1.26 -5.11 116.55 107.41 1ckk n ASP 78 Ca 0.00 -2.20 0.05 0.00 -1.51 0.00 0.00 54.79 51.13 1ckk n ASP 78 Cb 0.00 1.12 0.00 0.00 2.34 0.00 0.00 41.12 44.58 1ckk n ASP 78 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1ckk s THR 79 N 0.19 -0.42 -0.09 5.18 -4.23 -1.26 -5.09 115.64 109.92 1ckk s THR 79 Ca 0.25 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 1ckk s THR 79 Cb 0.24 -0.38 0.03 0.00 1.34 0.00 0.00 72.50 73.74 1ckk s THR 79 CO -0.14 0.00 0.14 0.47 -0.54 0.00 0.00 174.62 174.55 1ckk n ASP 80 N 5.05 -4.47 -0.12 3.99 8.00 -1.26 -4.89 116.55 122.85 1ckk n ASP 80 Ca 0.08 1.59 -0.26 0.00 0.71 0.00 0.00 54.79 56.91 1ckk n ASP 80 Cb 0.57 -5.26 -0.09 0.00 -0.02 0.00 0.00 41.12 36.32 1ckk n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ckk n SER 81 N 1.77 1.78 0.00 -2.24 2.88 -1.26 -4.33 113.62 112.22 1ckk n SER 81 Ca -0.24 0.27 0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1ckk n SER 81 Cb 0.37 -0.70 -0.15 0.00 -0.75 0.00 0.00 64.21 62.98 1ckk n SER 81 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ckk n GLU 82 N -4.03 0.65 -0.04 -1.46 2.13 -1.26 -4.34 120.64 112.29 1ckk n GLU 82 Ca -0.48 -0.15 -0.12 0.00 0.66 0.00 0.00 57.16 57.07 1ckk n GLU 82 Cb 0.85 -1.56 -0.07 0.00 0.27 0.00 0.00 31.44 30.93 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ckk h GLU 83 N 0.00 0.25 -1.17 5.31 4.81 -1.96 -2.69 114.58 119.13 1ckk h GLU 83 Ca -0.02 -0.10 0.33 0.00 -0.13 0.00 0.00 59.36 59.44 1ckk h GLU 83 Cb 1.04 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 1ckk h GLU 83 CO 0.00 0.55 0.80 1.05 -0.73 0.00 0.00 179.01 180.68 1ckk h GLU 84 N -0.06 0.15 0.03 1.92 4.11 -1.76 0.53 114.58 119.50 1ckk h GLU 84 Ca 0.03 -0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.18 1ckk h GLU 84 Cb 0.46 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ckk h GLU 84 CO 0.01 0.10 -1.09 0.82 0.07 0.00 0.00 179.01 178.93 1ckk h ILE 85 N 0.16 1.28 -0.41 -1.06 2.04 -1.71 -2.87 117.51 114.94 1ckk h ILE 85 Ca 0.61 -2.29 0.06 0.00 1.00 0.00 0.00 64.86 64.24 1ckk h ILE 85 Cb 2.05 2.45 -0.02 0.00 -0.74 0.00 0.00 36.82 40.56 1ckk h ILE 85 CO -0.16 0.71 0.28 -0.09 0.00 0.00 0.00 178.15 178.89 1ckk h ARG 86 N 0.37 0.29 0.53 2.37 1.12 0.32 0.21 114.38 119.59 1ckk h ARG 86 Ca -0.14 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.68 1ckk h ARG 86 Cb 1.75 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 31.65 1ckk h ARG 86 CO 0.21 0.19 -0.25 0.93 -3.11 0.00 0.00 179.97 177.94 1ckk h GLU 87 N 0.30 -0.68 -0.81 0.20 4.39 -1.06 0.62 114.58 117.54 1ckk h GLU 87 Ca 0.18 0.05 0.23 0.00 0.34 0.00 0.00 59.36 60.16 1ckk h GLU 87 Cb 0.34 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1ckk h GLU 87 CO -0.04 -0.46 0.58 0.00 -1.16 0.00 0.00 179.01 177.94 1ckk h ALA 88 N -1.39 2.75 0.02 3.43 0.00 -1.25 0.66 119.26 123.49 1ckk h ALA 88 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ckk h ALA 88 Cb 0.54 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ckk h ALA 88 CO 0.12 -0.98 -0.01 0.35 0.00 0.00 0.00 179.25 178.72 1ckk h PHE 89 N 0.01 -0.03 -0.44 0.00 3.57 -0.27 -2.86 116.94 116.93 1ckk h PHE 89 Ca 0.39 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.94 1ckk h PHE 89 Cb 1.53 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 1ckk h PHE 89 CO -0.00 0.54 0.14 0.00 -2.23 0.00 0.00 178.31 176.77 1ckk h ARG 90 N -0.63 0.30 -0.75 1.11 2.47 0.23 0.18 114.38 117.29 1ckk h ARG 90 Ca -0.00 -0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.86 1ckk h ARG 90 Cb 0.59 -0.07 -0.11 0.00 -1.65 0.00 0.00 29.97 28.73 1ckk h ARG 90 CO 0.01 0.20 0.20 0.28 0.56 0.00 0.00 179.97 181.21 1ckk h VAL 91 N 0.30 0.51 -0.17 2.04 2.07 -1.00 0.10 116.25 120.11 1ckk h VAL 91 Ca 0.21 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 67.45 1ckk h VAL 91 Cb 0.21 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1ckk h VAL 91 CO -0.22 0.05 -0.61 -0.26 0.02 0.00 0.00 177.57 176.55 1ckk h PHE 92 N 0.29 0.74 0.00 1.57 0.04 -0.92 -3.28 116.94 115.37 1ckk h PHE 92 Ca 0.43 -0.28 -0.34 0.00 2.80 0.00 0.00 57.97 60.57 1ckk h PHE 92 Cb 0.73 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.74 1ckk h PHE 92 CO -0.25 1.04 1.66 -3.47 -0.60 0.00 0.00 178.31 176.69 1ckk n ASP 93 N -3.94 5.44 -0.15 2.17 -0.08 0.49 -4.68 116.55 115.80 1ckk n ASP 93 Ca -0.04 -2.35 -0.05 0.00 -1.51 0.00 0.00 54.79 50.85 1ckk n ASP 93 Cb 0.64 -1.20 -0.04 0.00 2.34 0.00 0.00 41.12 42.86 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ckk h LYS 94 N 4.83 -0.02 -0.61 -0.67 3.64 -1.63 -0.29 116.57 121.82 1ckk h LYS 94 Ca 0.43 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1ckk h LYS 94 Cb 0.63 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1ckk h LYS 94 CO 1.01 -0.01 0.34 0.38 -2.27 0.00 0.00 179.45 178.90 1ckk h ASP 95 N -0.02 0.76 -0.45 4.20 2.03 -1.92 -3.47 116.42 117.55 1ckk h ASP 95 Ca 0.06 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 1ckk h ASP 95 Cb 0.17 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1ckk h ASP 95 CO -0.36 0.63 0.00 0.61 -1.03 0.00 0.00 179.24 179.09 1ckk n GLY 96 N -1.06 0.74 0.08 7.15 0.00 -0.12 -5.01 105.19 106.97 1ckk n GLY 96 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.73 1ckk h ASN 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1ckk h ASN 97 Cb 0.30 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.55 1ckk h ASN 97 CO 0.00 0.89 0.00 0.61 0.07 0.00 0.00 177.43 179.00 1ckk n GLY 98 N 1.46 1.60 3.29 9.14 0.00 -1.26 -5.13 105.19 114.30 1ckk n GLY 98 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.85 -0.24 -0.27 1.61 2.02 -1.26 -4.50 117.35 112.86 1ckk s TYR 99 Ca 0.00 0.28 -0.08 0.00 -0.37 0.00 0.00 57.07 56.90 1ckk s TYR 99 Cb 0.00 0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.70 1ckk s TYR 99 CO 0.00 -0.49 0.10 0.42 -1.57 0.00 0.00 175.55 174.01 1ckk s ILE 100 N -1.91 4.50 -0.06 2.71 1.01 0.54 -4.72 121.20 123.27 1ckk s ILE 100 Ca -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 1ckk s ILE 100 Cb -0.02 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1ckk s ILE 100 CO 0.01 0.26 0.04 -0.55 0.00 0.00 0.00 174.94 174.70 1ckk s SER 101 N 1.63 5.48 0.48 3.58 0.15 -1.26 -1.01 113.70 122.75 1ckk s SER 101 Ca 0.06 0.17 0.35 0.00 0.70 0.00 0.00 55.95 57.22 1ckk s SER 101 Cb -0.16 -1.57 1.49 0.00 -1.71 0.00 0.00 66.02 64.07 1ckk s SER 101 CO 0.05 0.34 1.65 0.00 1.20 0.00 0.00 173.24 176.48 1ckk h ALA 102 N 4.76 3.01 0.19 5.45 0.00 -1.95 0.28 119.26 131.01 1ckk h ALA 102 Ca -0.51 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1ckk h ALA 102 Cb 1.19 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1ckk h ALA 102 CO 0.57 -1.57 -0.32 0.00 0.00 0.00 0.00 179.25 177.93 1ckk h ALA 103 N 1.44 -0.59 -0.40 0.00 0.00 -1.95 0.30 119.26 118.06 1ckk h ALA 103 Ca 0.80 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.70 1ckk h ALA 103 Cb 2.73 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 20.96 1ckk h ALA 103 CO -0.26 -0.88 0.04 0.93 0.00 0.00 0.00 179.25 179.08 1ckk h GLU 104 N -0.59 0.15 -0.78 0.00 5.08 -0.73 -0.10 114.58 117.62 1ckk h GLU 104 Ca 0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1ckk h GLU 104 Cb 0.58 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1ckk h GLU 104 CO -0.14 0.10 0.51 -0.07 -1.00 0.00 0.00 179.01 178.41 1ckk h LEU 105 N 0.16 0.81 -0.84 1.33 3.38 -1.16 -1.32 115.31 117.67 1ckk h LEU 105 Ca 0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ckk h LEU 105 Cb 0.26 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1ckk h LEU 105 CO -0.29 0.56 0.51 -0.09 0.09 0.00 0.00 178.44 179.22 1ckk h ARG 106 N 0.94 1.14 -0.61 1.13 9.65 0.14 0.29 114.38 127.06 1ckk h ARG 106 Ca 0.31 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 59.13 1ckk h ARG 106 Cb 0.06 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.36 1ckk h ARG 106 CO -0.09 0.80 0.36 1.25 2.80 0.00 0.00 179.97 185.08 1ckk h HIS 107 N 1.15 0.66 0.00 2.20 2.76 -0.38 -1.28 115.15 120.27 1ckk h HIS 107 Ca 0.30 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.37 1ckk h HIS 107 Cb -0.05 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1ckk h HIS 107 CO -0.00 0.36 -0.60 0.28 -1.30 0.00 0.00 177.93 176.66 1ckk h VAL 108 N 0.69 1.34 0.03 5.26 2.07 -1.07 -2.97 116.25 121.60 1ckk h VAL 108 Ca 0.26 -2.11 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 1ckk h VAL 108 Cb 0.08 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1ckk h VAL 108 CO -0.13 0.59 -0.03 0.24 0.02 0.00 0.00 177.57 178.26 1ckk h MET 109 N 0.00 -0.06 0.00 1.57 2.07 0.76 0.19 114.93 119.46 1ckk h MET 109 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1ckk h MET 109 Cb 1.12 0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.87 1ckk h MET 109 CO 0.08 -0.04 0.00 2.41 1.07 0.00 0.00 176.91 180.43 1ckk n THR 110 N -2.44 1.50 1.09 2.22 -1.04 -1.10 -1.19 114.28 113.32 1ckk n THR 110 Ca -0.01 0.38 0.12 0.00 -2.04 0.00 0.00 64.05 62.50 1ckk n THR 110 Cb 0.03 -1.26 0.15 0.00 -1.82 0.00 0.00 70.33 67.43 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 -1.51 1.24 -0.06 8.00 4.13 -0.71 -4.25 115.26 122.09 1ckk n ASN 111 Ca 0.02 -0.99 -0.07 0.00 1.68 0.00 0.00 54.58 55.22 1ckk n ASN 111 Cb 0.08 0.41 -0.10 0.00 -1.54 0.00 0.00 39.78 38.64 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 -0.75 0.17 0.00 3.41 4.77 0.59 -4.33 117.00 120.85 1ckk n LEU 112 Ca 0.09 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1ckk n LEU 112 Cb 0.38 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1ckk n LEU 112 CO 0.31 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1ckk n GLY 113 N 2.24 2.71 3.71 -0.72 0.00 -1.01 -4.91 105.19 107.21 1ckk n GLY 113 Ca -0.21 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 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 2.68 -0.10 1.61 2.12 -1.23 -4.89 118.70 118.89 1ckk s GLU 114 Ca 0.00 -0.76 0.14 0.00 0.36 0.00 0.00 54.97 54.71 1ckk s GLU 114 Cb 0.00 -2.61 0.22 0.00 0.26 0.00 0.00 34.13 31.99 1ckk s GLU 114 CO 0.00 0.56 1.11 0.36 -0.54 0.00 0.00 175.26 176.74 1ckk n LYS 115 N 0.64 1.16 0.00 4.30 0.00 -1.26 -3.73 118.16 119.27 1ckk n LYS 115 Ca -0.11 -2.21 0.00 0.00 -0.00 0.00 0.00 58.31 55.99 1ckk n LYS 115 Cb 0.52 -1.28 0.00 0.00 -0.00 0.00 0.00 35.03 34.26 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ckk n LEU 116 N -1.12 0.00 0.00 -5.58 4.32 -1.26 -4.83 117.00 108.54 1ckk n LEU 116 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1ckk n LEU 116 Cb 0.62 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1ckk n LEU 116 CO 0.01 -0.15 0.00 0.41 -1.22 0.00 0.00 177.39 176.44 1ckk n THR 117 N -0.17 0.00 0.00 -5.08 -1.04 -1.26 -5.03 114.28 101.70 1ckk n THR 117 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ckk n THR 117 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1ckk n THR 117 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ckk n ASP 118 N 0.00 0.00 -0.33 8.00 8.00 -1.26 -4.33 116.55 126.63 1ckk n ASP 118 Ca 0.00 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.66 1ckk n ASP 118 Cb 0.00 -0.06 0.35 0.00 -0.02 0.00 0.00 41.12 41.40 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ckk h GLU 119 N 0.00 0.51 0.35 -1.24 3.07 -2.00 0.72 114.58 115.98 1ckk h GLU 119 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1ckk h GLU 119 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1ckk h GLU 119 CO 0.00 0.34 -0.17 0.93 -1.40 0.00 0.00 179.01 178.71 1ckk h GLU 120 N 0.52 -0.46 -0.97 2.33 4.39 -2.00 -2.02 114.58 116.37 1ckk h GLU 120 Ca 0.61 0.03 0.30 0.00 0.34 0.00 0.00 59.36 60.64 1ckk h GLU 120 Cb 1.15 0.10 -0.15 0.00 -0.10 0.00 0.00 28.75 29.76 1ckk h GLU 120 CO -0.49 -0.30 0.45 0.28 -1.16 0.00 0.00 179.01 177.79 1ckk h VAL 121 N -0.48 0.28 0.78 3.13 2.07 -1.06 0.21 116.25 121.17 1ckk h VAL 121 Ca -0.05 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1ckk h VAL 121 Cb 0.37 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ckk h VAL 121 CO 0.08 0.05 -0.37 0.44 0.02 0.00 0.00 177.57 177.79 1ckk h ASP 122 N 0.27 -0.88 -0.95 0.57 3.32 -0.86 -2.75 116.42 115.13 1ckk h ASP 122 Ca 0.68 0.03 0.20 0.00 0.02 0.00 0.00 57.03 57.96 1ckk h ASP 122 Cb 1.52 0.23 -0.11 0.00 0.22 0.00 0.00 39.33 41.19 1ckk h ASP 122 CO -0.64 -0.55 0.54 -0.08 -1.72 0.00 0.00 179.24 176.78 1ckk h GLU 123 N -1.20 0.61 -0.58 3.56 4.57 -0.55 0.14 114.58 121.14 1ckk h GLU 123 Ca -0.11 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.15 1ckk h GLU 123 Cb 0.80 -0.14 -0.09 0.00 -0.16 0.00 0.00 28.75 29.16 1ckk h GLU 123 CO 0.18 0.41 0.09 1.98 -1.18 0.00 0.00 179.01 180.48 1ckk h MET 124 N 0.63 0.21 -0.01 1.92 4.05 -0.48 0.68 114.93 121.93 1ckk h MET 124 Ca 0.57 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.72 1ckk h MET 124 Cb 0.95 -0.05 0.02 0.00 -0.80 0.00 0.00 31.60 31.72 1ckk h MET 124 CO -0.42 0.14 -1.00 0.82 0.23 0.00 0.00 176.91 176.67 1ckk h ILE 125 N 0.22 1.30 0.00 1.77 1.08 -0.63 -3.15 117.51 118.10 1ckk h ILE 125 Ca 0.30 -2.27 -0.04 0.00 -0.39 0.00 0.00 64.86 62.46 1ckk h ILE 125 Cb 0.45 2.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.55 1ckk h ILE 125 CO -0.41 0.70 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.48 1ckk h ARG 126 N 0.37 0.00 -0.67 2.37 2.43 0.09 -0.49 114.38 118.49 1ckk h ARG 126 Ca -0.11 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1ckk h ARG 126 Cb 1.65 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 1ckk h ARG 126 CO 0.19 0.18 0.25 0.93 -1.51 0.00 0.00 179.97 180.02 1ckk h GLU 127 N 0.00 1.01 0.00 0.20 4.39 0.38 -3.00 114.58 117.55 1ckk h GLU 127 Ca -0.00 -0.19 -0.19 0.00 0.34 0.00 0.00 59.36 59.32 1ckk h GLU 127 Cb 0.41 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1ckk h GLU 127 CO 0.02 0.85 -1.25 0.00 -1.16 0.00 0.00 179.01 177.48 1ckk h ALA 128 N 1.11 0.64 -0.29 3.43 0.00 -1.56 -3.43 119.26 119.16 1ckk h ALA 128 Ca 0.22 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1ckk h ALA 128 Cb 0.23 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ckk h ALA 128 CO -0.02 1.04 0.11 -0.25 0.00 0.00 0.00 179.25 180.13 1ckk n ASP 129 N -3.04 1.58 -0.28 0.00 8.00 -0.22 -4.73 116.55 117.86 1ckk n ASP 129 Ca -0.08 -1.55 -0.05 0.00 0.71 0.00 0.00 54.79 53.82 1ckk n ASP 129 Cb 0.88 -1.61 0.06 0.00 -0.02 0.00 0.00 41.12 40.42 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 7.56 1.23 0.00 0.53 5.03 -1.84 -2.13 117.51 127.89 1ckk h ILE 130 Ca 0.00 -0.60 0.00 0.00 -0.12 0.00 0.00 64.86 64.14 1ckk h ILE 130 Cb 1.01 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.04 1ckk h ILE 130 CO 1.03 0.26 -0.24 -2.24 -0.68 0.00 0.00 178.15 176.29 1ckk h ASP 131 N 1.05 0.00 -4.67 1.72 3.04 -1.96 -3.48 116.42 112.12 1ckk h ASP 131 Ca 0.26 -0.03 -0.04 0.00 -3.24 0.00 0.00 57.03 53.99 1ckk h ASP 131 Cb 0.06 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 38.38 1ckk h ASP 131 CO -0.04 0.01 -0.13 0.61 -2.04 0.00 0.00 179.24 177.66 1ckk n GLY 132 N 1.20 -0.87 0.09 7.15 0.00 -0.80 -4.96 105.19 106.99 1ckk n GLY 132 Ca 0.04 0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.79 1.36 0.00 1.61 5.75 -1.26 -4.97 116.55 117.25 1ckk n ASP 133 Ca -0.01 -1.26 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1ckk n ASP 133 Cb 0.52 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 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 0.04 1.76 3.00 6.12 0.00 -1.26 -5.00 105.19 109.85 1ckk n GLY 134 Ca 0.01 0.00 -0.12 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 -0.39 0.39 0.01 1.61 -2.07 -1.26 -4.36 119.66 113.58 1ckk s GLN 135 Ca 0.00 -0.56 -0.00 0.00 -1.82 0.00 0.00 55.36 52.98 1ckk s GLN 135 Cb 0.00 -0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 31.74 1ckk s GLN 135 CO 0.00 0.02 0.09 0.08 -1.32 0.00 0.00 175.29 174.16 1ckk s VAL 136 N -1.11 4.77 0.00 3.63 1.01 -0.18 -4.76 120.40 123.76 1ckk s VAL 136 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1ckk s VAL 136 Cb -0.08 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1ckk s VAL 136 CO -0.00 0.32 0.00 -0.46 0.00 0.00 0.00 175.10 174.96 1ckk n ASN 137 N 1.07 0.35 0.13 3.32 6.94 -1.26 0.20 115.26 126.00 1ckk n ASN 137 Ca -0.12 -0.11 -0.06 0.00 -0.02 0.00 0.00 54.58 54.27 1ckk n ASN 137 Cb 0.52 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.92 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 0.02 -0.34 -0.66 -2.53 3.20 -2.00 -2.74 116.97 111.93 1ckk h TYR 138 Ca 0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1ckk h TYR 138 Cb 0.00 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.27 1ckk h TYR 138 CO 0.00 -0.21 -0.44 1.49 -1.64 0.00 0.00 178.16 177.36 1ckk h GLU 139 N -0.75 -0.18 -0.21 1.82 4.81 -1.98 -1.35 114.58 116.74 1ckk h GLU 139 Ca -0.04 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1ckk h GLU 139 Cb 0.28 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 1ckk h GLU 139 CO 0.06 -0.12 -0.48 0.93 -0.73 0.00 0.00 179.01 178.68 1ckk h GLU 140 N -0.19 -0.43 -1.07 1.92 5.08 -1.94 2.36 114.58 120.31 1ckk h GLU 140 Ca 0.20 0.03 0.31 0.00 -1.00 0.00 0.00 59.36 58.89 1ckk h GLU 140 Cb 0.55 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1ckk h GLU 140 CO -0.74 -0.29 1.00 0.35 -1.00 0.00 0.00 179.01 178.34 1ckk h PHE 141 N -0.44 0.00 0.00 4.33 3.57 -0.94 -0.81 116.94 122.65 1ckk h PHE 141 Ca 0.04 0.00 -0.43 0.00 3.53 0.00 0.00 57.97 61.11 1ckk h PHE 141 Cb 0.56 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.23 1ckk h PHE 141 CO -0.62 0.00 -2.48 0.28 -2.23 0.00 0.00 178.31 173.26 1ckk n VAL 142 N -3.64 1.52 -0.37 1.41 0.31 0.15 -3.86 118.33 113.85 1ckk n VAL 142 Ca 0.23 -0.45 0.31 0.00 -0.01 0.00 0.00 64.34 64.42 1ckk n VAL 142 Cb 1.34 -1.71 0.61 0.00 -0.91 0.00 0.00 33.84 33.18 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 -0.59 0.20 0.00 5.55 5.75 0.51 0.86 115.11 127.39 1ckk h GLN 143 Ca -0.64 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 57.84 1ckk h GLN 143 Cb 1.73 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.23 1ckk h GLN 143 CO -0.28 0.13 -0.60 1.98 -2.65 0.00 0.00 178.83 177.42 1ckk h MET 144 N 0.21 0.00 0.05 1.69 4.05 -1.56 -2.34 114.93 117.03 1ckk h MET 144 Ca 0.67 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.91 1ckk h MET 144 Cb 2.06 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.85 1ckk h MET 144 CO -0.26 0.00 -0.92 0.52 0.23 0.00 0.00 176.91 176.48 1ckk h MET 145 N 0.00 0.11 0.15 0.39 2.86 0.53 -3.36 114.93 115.61 1ckk h MET 145 Ca 0.00 -0.19 -0.26 0.00 -2.06 0.00 0.00 59.70 57.19 1ckk h MET 145 Cb 0.99 0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.73 1ckk h MET 145 CO 0.00 1.09 -1.26 1.79 1.06 0.00 0.00 176.91 179.59 1ckk h THR 146 N -0.70 1.22 -0.76 2.22 1.35 -1.14 -3.35 112.91 111.74 1ckk h THR 146 Ca -0.22 -2.50 -0.63 0.00 -0.55 0.00 0.00 66.41 62.51 1ckk h THR 146 Cb 1.41 2.93 -0.09 0.00 -1.73 0.00 0.00 68.15 70.67 1ckk h THR 146 CO -0.03 0.74 2.11 0.00 -0.25 0.00 0.00 175.52 178.10 1ckk n ALA 147 N -2.82 6.89 0.00 6.62 0.00 -0.88 -5.09 120.51 125.23 1ckk n ALA 147 Ca -0.20 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1ckk n ALA 147 Cb 0.92 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67