#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 0.88 -4.55 0.00 5.68 -1.26 -4.86 116.55 112.44 1ckk n ASP 2 Ca 0.00 -0.55 -0.39 0.00 -0.50 0.00 0.00 54.79 53.35 1ckk n ASP 2 Cb 0.00 1.06 -0.03 0.00 -1.14 0.00 0.00 41.12 41.01 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1ckk s GLN 3 N -1.83 2.84 -0.16 0.11 -1.52 -1.26 -4.36 119.66 113.48 1ckk s GLN 3 Ca 0.02 0.27 -0.07 0.00 -1.95 0.00 0.00 55.36 53.63 1ckk s GLN 3 Cb 0.05 -4.32 0.03 0.00 -0.22 0.00 0.00 33.01 28.56 1ckk s GLN 3 CO 0.30 -2.51 0.15 -0.11 -0.25 0.00 0.00 175.29 172.86 1ckk n LEU 4 N 11.47 -5.43 -4.68 2.90 0.00 -1.26 -4.98 117.00 115.01 1ckk n LEU 4 Ca 0.14 1.60 -0.35 0.00 0.00 0.00 0.00 56.01 57.40 1ckk n LEU 4 Cb 0.51 -2.74 -0.09 0.00 0.00 0.00 0.00 43.42 41.10 1ckk n LEU 4 CO 0.71 -2.92 -0.20 -0.89 0.00 0.00 0.00 177.39 174.09 1ckk s THR 5 N -0.67 5.17 0.23 1.96 2.01 -1.26 -4.93 115.64 118.15 1ckk s THR 5 Ca -0.17 0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.87 1ckk s THR 5 Cb 0.01 -3.36 0.15 0.00 0.01 0.00 0.00 72.50 69.30 1ckk s THR 5 CO 0.60 0.42 1.77 1.05 -0.69 0.00 0.00 174.62 177.78 1ckk h GLU 6 N 6.89 1.08 -0.51 4.92 4.11 -1.97 -2.97 114.58 126.13 1ckk h GLU 6 Ca -0.39 -0.22 0.10 0.00 0.07 0.00 0.00 59.36 58.92 1ckk h GLU 6 Cb 1.16 -0.16 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 1ckk h GLU 6 CO 0.72 0.92 -0.27 1.49 0.07 0.00 0.00 179.01 181.94 1ckk h GLU 7 N 1.04 -0.15 -0.59 1.06 4.81 -1.99 0.26 114.58 119.02 1ckk h GLU 7 Ca 0.23 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1ckk h GLU 7 Cb 0.29 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1ckk h GLU 7 CO -0.01 -0.10 0.39 1.96 -0.73 0.00 0.00 179.01 180.52 1ckk h GLN 8 N -0.15 0.78 -0.17 1.92 4.20 -1.96 -2.40 115.11 117.34 1ckk h GLN 8 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ckk h GLN 8 Cb 0.51 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1ckk h GLN 8 CO -0.60 0.52 0.11 0.82 -0.67 0.00 0.00 178.83 179.01 1ckk h ILE 9 N 0.80 1.03 -0.88 2.54 2.04 -0.90 -1.86 117.51 120.28 1ckk h ILE 9 Ca 0.22 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 66.15 1ckk h ILE 9 Cb -0.09 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1ckk h ILE 9 CO -0.05 0.04 0.57 0.00 0.00 0.00 0.00 178.15 178.71 1ckk h ALA 10 N 1.07 1.89 0.40 1.87 0.00 -0.27 0.11 119.26 124.33 1ckk h ALA 10 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ckk h ALA 10 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ckk h ALA 10 CO -0.02 -0.14 -0.19 0.93 0.00 0.00 0.00 179.25 179.83 1ckk h GLU 11 N 0.64 -0.52 -0.71 0.00 5.08 -0.85 0.81 114.58 119.04 1ckk h GLU 11 Ca 0.45 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.86 1ckk h GLU 11 Cb 0.78 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.11 1ckk h GLU 11 CO -0.20 -0.32 0.46 0.74 -1.00 0.00 0.00 179.01 178.69 1ckk h PHE 12 N -0.57 0.87 -0.60 4.33 0.04 -1.01 -1.50 116.94 118.50 1ckk h PHE 12 Ca -0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ckk h PHE 12 Cb 0.43 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1ckk h PHE 12 CO -0.04 0.54 0.37 -0.22 -0.60 0.00 0.00 178.31 178.36 1ckk h LYS 13 N 0.94 0.80 -0.54 1.51 3.64 -0.75 -0.74 116.57 121.43 1ckk h LYS 13 Ca 0.26 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1ckk h LYS 13 Cb -0.08 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 1ckk h LYS 13 CO -0.07 0.55 0.09 1.49 -2.27 0.00 0.00 179.45 179.24 1ckk h GLU 14 N 0.82 0.90 -0.27 1.90 4.81 0.17 -1.49 114.58 121.42 1ckk h GLU 14 Ca 0.22 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1ckk h GLU 14 Cb -0.06 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1ckk h GLU 14 CO -0.04 0.87 -0.05 0.00 -0.73 0.00 0.00 179.01 179.06 1ckk h ALA 15 N 0.99 0.36 0.00 2.92 0.00 -0.73 -0.13 119.26 122.68 1ckk h ALA 15 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ckk h ALA 15 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ckk h ALA 15 CO 0.01 0.16 -0.06 0.35 0.00 0.00 0.00 179.25 179.71 1ckk h PHE 16 N 0.26 0.00 0.00 0.00 3.57 -1.05 -0.90 116.94 118.82 1ckk h PHE 16 Ca 0.07 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1ckk h PHE 16 Cb 0.52 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1ckk h PHE 16 CO 0.05 0.06 -0.64 0.77 -2.23 0.00 0.00 178.31 176.32 1ckk h SER 17 N 0.00 0.00 0.05 0.41 0.02 -0.93 -2.79 113.55 110.30 1ckk h SER 17 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1ckk h SER 17 Cb 0.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1ckk h SER 17 CO 0.01 0.28 -0.56 0.25 -1.14 0.00 0.00 176.83 175.67 1ckk h LEU 18 N 0.00 0.60 0.09 5.07 6.46 0.40 -3.30 115.31 124.63 1ckk h LEU 18 Ca -0.03 -0.32 -0.18 0.00 -0.12 0.00 0.00 57.88 57.23 1ckk h LEU 18 Cb 1.24 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 1ckk h LEU 18 CO 0.03 1.03 -0.87 -0.26 -0.62 0.00 0.00 178.44 177.75 1ckk h PHE 19 N 0.41 0.34 -2.21 1.25 0.04 -1.54 -3.42 116.94 111.80 1ckk h PHE 19 Ca 0.01 -0.25 -0.52 0.00 2.80 0.00 0.00 57.97 60.01 1ckk h PHE 19 Cb 1.10 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.19 1ckk h PHE 19 CO 0.04 1.34 1.26 0.34 -0.60 0.00 0.00 178.31 180.69 1ckk s ASP 20 N -6.82 5.60 -0.11 2.17 -1.08 -1.05 -4.67 116.67 110.71 1ckk s ASP 20 Ca -0.18 0.23 -0.23 0.00 -0.52 0.00 0.00 52.55 51.85 1ckk s ASP 20 Cb 0.02 -2.54 -0.20 0.00 -1.46 0.00 0.00 42.92 38.74 1ckk s ASP 20 CO 0.75 -2.14 0.71 0.11 0.52 0.00 0.00 175.17 175.12 1ckk h LYS 21 N 13.32 -0.03 -0.26 4.34 1.79 -1.83 -3.34 116.57 130.56 1ckk h LYS 21 Ca -0.27 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.26 1ckk h LYS 21 Cb 1.13 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.73 1ckk h LYS 21 CO 1.21 0.67 -0.13 0.38 -1.08 0.00 0.00 179.45 180.50 1ckk h ASP 22 N -0.93 -0.43 0.00 0.86 3.04 -1.96 -3.46 116.42 113.54 1ckk h ASP 22 Ca -0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1ckk h ASP 22 Cb 0.71 0.24 0.00 0.00 -1.04 0.00 0.00 39.33 39.24 1ckk h ASP 22 CO 0.01 -0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 1ckk n GLY 23 N -1.30 1.61 0.19 7.15 0.00 -1.26 -5.00 105.19 106.59 1ckk n GLY 23 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ckk n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ckk h ASP 24 N 0.00 0.00 -0.05 1.61 2.03 -1.90 -3.47 116.42 114.65 1ckk h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ckk h ASP 24 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1ckk h ASP 24 CO 0.00 0.19 0.00 0.61 -1.03 0.00 0.00 179.24 179.01 1ckk n GLY 25 N 1.13 1.52 3.35 7.15 0.00 -1.26 -5.10 105.19 111.98 1ckk n GLY 25 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.05 -0.02 -0.37 2.61 -4.23 -1.26 -4.08 115.64 106.25 1ckk s THR 26 Ca 0.00 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1ckk s THR 26 Cb 0.00 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1ckk s THR 26 CO 0.00 0.02 0.25 -0.63 -0.54 0.00 0.00 174.62 173.72 1ckk s ILE 27 N 1.15 5.11 0.22 2.99 1.01 -0.99 -4.76 121.20 125.93 1ckk s ILE 27 Ca -0.07 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1ckk s ILE 27 Cb -0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1ckk s ILE 27 CO -0.10 -0.15 0.38 0.42 0.00 0.00 0.00 174.94 175.49 1ckk s THR 28 N 1.67 5.23 0.58 2.92 -4.23 -1.26 -2.12 115.64 118.43 1ckk s THR 28 Ca 0.05 -0.62 0.34 0.00 -1.18 0.00 0.00 61.69 60.28 1ckk s THR 28 Cb -0.18 -3.79 0.49 0.00 1.34 0.00 0.00 72.50 70.36 1ckk s THR 28 CO 0.09 -0.26 1.60 0.71 -0.54 0.00 0.00 174.62 176.22 1ckk h THR 29 N 1.34 0.16 0.26 3.99 1.35 -1.98 0.15 112.91 118.18 1ckk h THR 29 Ca -0.49 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1ckk h THR 29 Cb 1.21 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1ckk h THR 29 CO 0.65 0.00 -0.12 0.11 -0.25 0.00 0.00 175.52 175.91 1ckk h LYS 30 N 0.00 -0.33 0.39 4.72 6.56 -1.98 0.36 116.57 126.29 1ckk h LYS 30 Ca 0.53 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.14 1ckk h LYS 30 Cb 2.57 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 34.29 1ckk h LYS 30 CO -0.01 0.02 -0.32 0.93 -2.06 0.00 0.00 179.45 178.02 1ckk h GLU 31 N -0.87 -0.69 -0.24 3.15 5.08 -1.06 -0.60 114.58 119.36 1ckk h GLU 31 Ca -0.04 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1ckk h GLU 31 Cb 0.51 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1ckk h GLU 31 CO 0.06 -0.46 0.06 1.25 -1.00 0.00 0.00 179.01 178.92 1ckk h LEU 32 N -0.72 0.05 -1.05 1.33 5.85 -1.50 -1.47 115.31 117.81 1ckk h LEU 32 Ca -0.03 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.90 1ckk h LEU 32 Cb 0.62 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 1ckk h LEU 32 CO -0.02 0.06 0.62 1.23 -0.34 0.00 0.00 178.44 179.99 1ckk h GLY 33 N 0.16 1.70 0.86 3.75 0.00 -0.66 -1.85 103.07 107.04 1ckk h GLY 33 Ca 0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1ckk h GLY 33 CO -0.13 -0.03 -0.44 -0.84 0.00 0.00 0.00 176.54 175.11 1ckk h THR 34 N 0.78 0.00 -0.58 4.70 2.02 -0.03 0.11 112.91 119.89 1ckk h THR 34 Ca 0.56 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.83 1ckk h THR 34 Cb 0.86 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.16 1ckk h THR 34 CO -0.35 0.00 -0.40 0.58 0.37 0.00 0.00 175.52 175.72 1ckk h VAL 35 N -1.19 0.11 -0.17 3.16 2.07 -1.08 1.23 116.25 120.39 1ckk h VAL 35 Ca -0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ckk h VAL 35 Cb 0.92 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1ckk h VAL 35 CO 0.18 0.00 0.16 0.24 0.02 0.00 0.00 177.57 178.17 1ckk h MET 36 N -0.21 0.00 0.00 1.57 2.86 -1.22 0.24 114.93 118.17 1ckk h MET 36 Ca 0.20 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1ckk h MET 36 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1ckk h MET 36 CO -0.69 0.00 0.00 -0.09 1.06 0.00 0.00 176.91 177.19 1ckk h ARG 37 N 0.00 0.00 0.04 1.72 2.43 0.42 -3.27 114.38 115.71 1ckk h ARG 37 Ca 0.08 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.88 1ckk h ARG 37 Cb 0.41 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 1ckk h ARG 37 CO -0.00 0.00 -2.27 0.43 -1.51 0.00 0.00 179.97 176.62 1ckk n SER 38 N -3.01 1.71 -0.38 -3.80 7.64 0.75 -4.21 113.62 112.31 1ckk n SER 38 Ca 0.02 0.02 0.38 0.00 1.01 0.00 0.00 58.87 60.30 1ckk n SER 38 Cb 0.39 -0.36 0.74 0.00 -1.01 0.00 0.00 64.21 63.97 1ckk n SER 38 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ckk h LEU 39 N 0.02 0.00 0.00 -3.43 3.38 -1.33 -3.43 115.31 110.52 1ckk h LEU 39 Ca -0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ckk h LEU 39 Cb 1.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.74 1ckk h LEU 39 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 1ckk n GLY 40 N -1.78 0.26 0.00 0.83 0.00 -1.26 -4.91 105.19 98.34 1ckk n GLY 40 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.52 -3.38 1.61 6.02 -1.25 -5.09 117.38 112.77 1ckk n GLN 41 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 1ckk n GLN 41 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 1ckk n GLN 41 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ckk s ASN 42 N -1.95 1.21 0.20 1.08 -0.87 -1.26 -4.10 114.94 109.24 1ckk s ASN 42 Ca 0.00 -0.52 -0.30 0.00 -1.57 0.00 0.00 52.86 50.48 1ckk s ASN 42 Cb 0.00 0.69 -0.08 0.00 -0.02 0.00 0.00 41.25 41.84 1ckk s ASN 42 CO 0.00 -0.37 1.18 -2.16 -2.57 0.00 0.00 177.10 173.18 1ckk s PRO 43 N 2.42 4.52 0.00 -0.60 0.04 -1.26 -5.04 135.00 135.08 1ckk s PRO 43 Ca 0.10 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1ckk s PRO 43 Cb -0.14 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1ckk s PRO 43 CO -0.29 -0.04 0.00 -2.37 0.04 0.00 0.00 177.00 174.35 1ckk n THR 44 N 2.31 0.00 -0.07 1.26 5.66 -1.26 -4.79 114.28 117.39 1ckk n THR 44 Ca 0.03 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.96 1ckk n THR 44 Cb 0.45 -1.20 -0.05 0.00 -1.55 0.00 0.00 70.33 67.98 1ckk n THR 44 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ckk h GLU 45 N 0.00 0.00 -0.70 1.09 4.81 -1.98 -2.95 114.58 114.85 1ckk h GLU 45 Ca 0.00 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.36 1ckk h GLU 45 Cb 0.00 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.25 1ckk h GLU 45 CO 0.00 0.36 -0.23 0.00 -0.73 0.00 0.00 179.01 178.41 1ckk h ALA 46 N -0.71 0.33 0.22 2.92 0.00 -1.98 0.60 119.26 120.64 1ckk h ALA 46 Ca -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ckk h ALA 46 Cb 0.54 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ckk h ALA 46 CO -0.03 -0.49 -0.11 0.93 0.00 0.00 0.00 179.25 179.55 1ckk h GLU 47 N -0.05 -0.29 -0.32 0.00 5.08 -1.95 0.47 114.58 117.52 1ckk h GLU 47 Ca 0.32 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1ckk h GLU 47 Cb 0.54 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1ckk h GLU 47 CO -0.74 -0.14 0.04 -0.07 -1.00 0.00 0.00 179.01 177.10 1ckk h LEU 48 N -0.37 -0.05 -1.52 1.33 3.38 -0.94 -0.59 115.31 116.54 1ckk h LEU 48 Ca -0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ckk h LEU 48 Cb 0.28 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ckk h LEU 48 CO 0.05 0.01 0.04 -0.61 0.09 0.00 0.00 178.44 178.02 1ckk h GLN 49 N 0.14 0.35 -0.10 1.13 5.75 0.29 -1.07 115.11 121.60 1ckk h GLN 49 Ca 0.15 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.49 1ckk h GLN 49 Cb 0.19 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1ckk h GLN 49 CO -0.23 0.35 -0.47 -0.44 -2.65 0.00 0.00 178.83 175.39 1ckk h ASP 50 N 0.35 0.26 0.08 -0.69 3.32 0.54 -0.39 116.42 119.89 1ckk h ASP 50 Ca 0.08 -0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.82 1ckk h ASP 50 Cb 0.17 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 39.66 1ckk h ASP 50 CO -0.00 0.70 -0.78 0.24 -1.72 0.00 0.00 179.24 177.67 1ckk h MET 51 N 0.20 0.39 -0.13 3.56 2.86 -0.33 -3.26 114.93 118.21 1ckk h MET 51 Ca 0.01 -0.53 -0.13 0.00 -2.06 0.00 0.00 59.70 56.99 1ckk h MET 51 Cb 0.91 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1ckk h MET 51 CO 0.07 1.20 -0.50 0.97 1.06 0.00 0.00 176.91 179.72 1ckk h ILE 52 N -0.18 1.34 0.00 -1.22 6.09 -1.23 -2.90 117.51 119.40 1ckk h ILE 52 Ca -0.12 -1.73 -0.00 0.00 -1.37 0.00 0.00 64.86 61.64 1ckk h ILE 52 Cb 1.55 1.78 -0.00 0.00 0.47 0.00 0.00 36.82 40.61 1ckk h ILE 52 CO 0.15 0.52 -0.02 0.78 -3.07 0.00 0.00 178.15 176.51 1ckk h ASN 53 N 0.28 0.00 0.04 2.19 -0.26 -1.14 0.22 115.58 116.90 1ckk h ASN 53 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1ckk h ASN 53 Cb 0.97 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.24 1ckk h ASN 53 CO 0.08 0.02 -0.37 -0.08 -1.06 0.00 0.00 177.43 176.02 1ckk h GLU 54 N 0.00 0.19 -0.28 0.81 4.81 -1.55 -3.34 114.58 115.21 1ckk h GLU 54 Ca -0.00 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 58.80 1ckk h GLU 54 Cb 0.04 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ckk h GLU 54 CO 0.00 1.04 -0.53 0.28 -0.73 0.00 0.00 179.01 179.08 1ckk h VAL 55 N -0.55 1.28 -0.02 0.32 2.07 -1.52 -3.36 116.25 114.47 1ckk h VAL 55 Ca -0.06 -1.71 -0.56 0.00 0.82 0.00 0.00 66.70 65.19 1ckk h VAL 55 Cb 1.20 1.65 0.10 0.00 -1.52 0.00 0.00 31.29 32.72 1ckk h VAL 55 CO 0.07 0.56 1.54 0.47 0.02 0.00 0.00 177.57 180.23 1ckk n ASP 56 N -4.04 1.54 -0.25 0.57 9.92 0.04 -4.73 116.55 119.60 1ckk n ASP 56 Ca -0.05 -2.56 -0.07 0.00 -0.53 0.00 0.00 54.79 51.59 1ckk n ASP 56 Cb 0.62 -0.81 -0.06 0.00 -0.64 0.00 0.00 41.12 40.22 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckk n ALA 57 N 9.53 -0.39 -0.32 2.24 0.00 -1.26 0.93 120.51 131.25 1ckk n ALA 57 Ca 0.47 0.51 0.05 0.00 0.00 0.00 0.00 53.44 54.48 1ckk n ALA 57 Cb 0.42 0.06 0.24 0.00 0.00 0.00 0.00 19.45 20.18 1ckk n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ckk h ASP 58 N 0.00 0.91 -1.22 0.00 3.04 -1.95 -3.47 116.42 113.73 1ckk h ASP 58 Ca 0.10 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1ckk h ASP 58 Cb 0.25 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1ckk h ASP 58 CO -0.57 0.56 0.00 0.61 -2.04 0.00 0.00 179.24 177.80 1ckk n GLY 59 N -1.39 0.53 0.13 7.15 0.00 0.27 -5.02 105.19 106.86 1ckk n GLY 59 Ca 0.15 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.44 2.00 0.00 1.61 6.94 -1.26 -5.01 115.26 119.10 1ckk n ASN 60 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 1ckk n ASN 60 Cb 0.33 -0.50 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 2.18 0.63 3.51 4.83 0.00 -1.26 -5.15 105.19 109.92 1ckk n GLY 61 Ca -0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.63 0.01 0.16 2.61 -4.23 -1.26 -4.68 115.64 107.62 1ckk s THR 62 Ca 0.00 -0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 1ckk s THR 62 Cb 0.00 -0.92 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 1ckk s THR 62 CO 0.00 -0.03 0.58 -0.63 -0.54 0.00 0.00 174.62 174.01 1ckk s ILE 63 N -0.53 4.80 0.09 2.99 -1.09 -0.90 -4.79 121.20 121.77 1ckk s ILE 63 Ca -0.06 0.91 0.10 0.00 -2.23 0.00 0.00 60.65 59.36 1ckk s ILE 63 Cb -0.03 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1ckk s ILE 63 CO 0.05 0.23 -0.26 -1.81 -1.23 0.00 0.00 174.94 171.92 1ckk s ASP 64 N -1.72 3.16 0.25 3.58 1.11 -1.26 -2.35 116.67 119.44 1ckk s ASP 64 Ca 0.39 -0.67 -0.10 0.00 0.18 0.00 0.00 52.55 52.36 1ckk s ASP 64 Cb -0.15 -0.24 0.38 0.00 1.07 0.00 0.00 42.92 43.98 1ckk s ASP 64 CO 0.19 0.20 1.60 0.15 1.18 0.00 0.00 175.17 178.50 1ckk h PHE 65 N 4.33 -0.36 -0.11 4.23 3.04 -1.98 0.43 116.94 126.51 1ckk h PHE 65 Ca -0.48 0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.43 1ckk h PHE 65 Cb 1.16 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.94 1ckk h PHE 65 CO 0.55 -0.34 -0.39 -1.00 -2.02 0.00 0.00 178.31 175.10 1ckk h PRO 66 N 0.01 0.25 -0.01 6.41 0.13 -1.95 -2.69 132.00 134.14 1ckk h PRO 66 Ca 0.41 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 65.36 1ckk h PRO 66 Cb 0.65 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1ckk h PRO 66 CO -0.82 0.61 -0.27 0.93 -0.23 0.00 0.00 178.00 178.22 1ckk h GLU 67 N 0.21 0.02 0.02 0.86 5.08 -0.58 -2.56 114.58 117.63 1ckk h GLU 67 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ckk h GLU 67 Cb 0.79 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ckk h GLU 67 CO 0.06 0.29 -0.01 0.35 -1.00 0.00 0.00 179.01 178.70 1ckk h PHE 68 N 0.02 -0.02 -0.73 4.33 3.04 -0.91 -2.58 116.94 120.08 1ckk h PHE 68 Ca 0.00 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.12 1ckk h PHE 68 Cb 0.49 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.96 1ckk h PHE 68 CO 0.00 0.73 0.50 -0.07 -2.02 0.00 0.00 178.31 177.45 1ckk h LEU 69 N -0.87 0.21 0.08 0.59 4.07 -1.43 -0.84 115.31 117.12 1ckk h LEU 69 Ca -0.00 0.01 -0.29 0.00 0.08 0.00 0.00 57.88 57.69 1ckk h LEU 69 Cb 0.77 -0.03 0.02 0.00 1.08 0.00 0.00 40.66 42.50 1ckk h LEU 69 CO 0.00 0.10 -1.21 0.74 -1.08 0.00 0.00 178.44 176.99 1ckk h THR 70 N 0.22 1.34 0.22 0.22 2.02 -1.50 -3.13 112.91 112.31 1ckk h THR 70 Ca 0.36 -2.58 -0.01 0.00 0.77 0.00 0.00 66.41 64.94 1ckk h THR 70 Cb 1.07 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1ckk h THR 70 CO -0.07 0.78 -0.11 -0.03 0.37 0.00 0.00 175.52 176.45 1ckk h MET 71 N 0.23 -0.29 0.00 6.66 -1.53 -0.75 -2.59 114.93 116.65 1ckk h MET 71 Ca -0.17 0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.11 1ckk h MET 71 Cb 1.89 0.07 0.00 0.00 -0.55 0.00 0.00 31.60 33.01 1ckk h MET 71 CO 0.22 -0.19 0.47 1.98 0.14 0.00 0.00 176.91 179.53 1ckk h MET 72 N -0.36 0.00 0.00 0.39 -1.53 -1.59 0.40 114.93 112.23 1ckk h MET 72 Ca -0.03 0.00 -0.19 0.00 -3.44 0.00 0.00 59.70 56.04 1ckk h MET 72 Cb 0.23 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.25 1ckk h MET 72 CO 0.05 0.00 -0.91 0.00 0.14 0.00 0.00 176.91 176.19 1ckk h ALA 73 N 1.05 0.42 0.00 0.39 0.00 -1.44 -3.28 119.26 116.40 1ckk h ALA 73 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1ckk h ALA 73 Cb 0.94 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ckk h ALA 73 CO 0.00 1.14 -1.04 -2.13 0.00 0.00 0.00 179.25 177.22 1ckk n ARG 74 N -3.34 0.32 -1.39 0.00 0.63 0.13 -4.17 116.66 108.85 1ckk n ARG 74 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.59 1ckk n ARG 74 Cb 0.90 -1.61 0.08 0.00 0.45 0.00 0.00 32.46 32.27 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 -2.03 2.73 -0.12 -0.14 4.01 -0.70 -4.37 118.16 117.54 1ckk n LYS 75 Ca 0.02 -3.34 -0.15 0.00 -0.51 0.00 0.00 58.31 54.33 1ckk n LYS 75 Cb 0.45 -2.29 -0.13 0.00 -0.51 0.00 0.00 35.03 32.55 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 -0.89 0.67 -2.71 1.97 2.81 -1.26 -4.80 117.12 112.92 1ckk n MET 76 Ca 0.62 0.09 -0.08 0.00 -1.81 0.00 0.00 57.70 56.52 1ckk n MET 76 Cb 0.65 -1.51 0.10 0.00 -0.71 0.00 0.00 33.22 31.74 1ckk n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ckk n LYS 77 N -3.08 1.17 0.00 0.03 4.76 -1.26 -4.79 118.16 114.99 1ckk n LYS 77 Ca -0.41 -2.12 0.00 0.00 -2.87 0.00 0.00 58.31 52.90 1ckk n LYS 77 Cb 1.04 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ckk n ASP 78 N -0.40 0.00 0.05 4.39 8.00 -1.26 -4.93 116.55 122.40 1ckk n ASP 78 Ca 0.01 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.62 1ckk n ASP 78 Cb 0.83 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.93 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ckk n THR 79 N -0.04 0.29 -3.93 -3.53 -2.24 -1.26 -4.73 114.28 98.85 1ckk n THR 79 Ca 0.00 -0.37 -0.31 0.00 -2.27 0.00 0.00 64.05 61.11 1ckk n THR 79 Cb 0.00 -0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.07 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 -4.44 4.48 0.01 3.42 1.01 -1.26 -4.93 116.67 114.97 1ckk s ASP 80 Ca 0.01 -1.92 -0.05 0.00 0.71 0.00 0.00 52.55 51.30 1ckk s ASP 80 Cb 0.13 -1.37 -0.02 0.00 1.01 0.00 0.00 42.92 42.67 1ckk s ASP 80 CO 0.80 -0.38 -0.10 -0.24 0.21 0.00 0.00 175.17 175.47 1ckk n SER 81 N 4.46 1.31 -0.01 0.27 2.88 -1.26 -4.41 113.62 116.85 1ckk n SER 81 Ca 0.01 0.19 0.10 0.00 -1.33 0.00 0.00 58.87 57.83 1ckk n SER 81 Cb 0.42 -0.44 -0.11 0.00 -0.75 0.00 0.00 64.21 63.33 1ckk n SER 81 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ckk n GLU 82 N -3.75 0.26 -0.02 -1.46 0.28 -1.26 -4.40 120.64 110.29 1ckk n GLU 82 Ca -0.05 -0.02 -0.16 0.00 -0.16 0.00 0.00 57.16 56.77 1ckk n GLU 82 Cb 0.18 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.48 1ckk n GLU 82 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1ckk h GLU 83 N 0.05 0.26 -0.15 3.44 5.08 -1.91 -2.69 114.58 118.66 1ckk h GLU 83 Ca 0.00 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.13 1ckk h GLU 83 Cb 0.49 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ckk h GLU 83 CO 0.00 0.97 0.25 1.05 -1.00 0.00 0.00 179.01 180.29 1ckk h GLU 84 N -0.34 0.00 0.07 2.33 9.09 -1.84 -0.65 114.58 123.25 1ckk h GLU 84 Ca -0.04 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.18 1ckk h GLU 84 Cb 1.09 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.19 1ckk h GLU 84 CO 0.07 0.00 -0.95 0.82 0.05 0.00 0.00 179.01 179.00 1ckk h ILE 85 N 0.00 1.28 -0.57 -1.06 2.04 -1.77 -2.62 117.51 114.82 1ckk h ILE 85 Ca 0.07 -2.37 0.06 0.00 1.00 0.00 0.00 64.86 63.62 1ckk h ILE 85 Cb 0.58 2.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.49 1ckk h ILE 85 CO -0.00 0.61 0.38 -0.09 0.00 0.00 0.00 178.15 179.05 1ckk h ARG 86 N -0.61 0.50 -0.03 2.37 2.43 -0.94 0.91 114.38 119.01 1ckk h ARG 86 Ca -0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.90 1ckk h ARG 86 Cb 1.48 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1ckk h ARG 86 CO 0.01 0.33 -0.08 0.93 -1.51 0.00 0.00 179.97 179.65 1ckk h GLU 87 N 0.52 0.10 -0.69 0.20 5.08 -1.25 -1.72 114.58 116.83 1ckk h GLU 87 Ca 0.25 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 1ckk h GLU 87 Cb 0.30 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1ckk h GLU 87 CO -0.07 0.69 0.45 0.00 -1.00 0.00 0.00 179.01 179.09 1ckk h ALA 88 N 0.41 1.87 -0.40 3.43 0.00 -0.96 0.54 119.26 124.14 1ckk h ALA 88 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1ckk h ALA 88 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ckk h ALA 88 CO 0.02 -0.01 -0.33 0.35 0.00 0.00 0.00 179.25 179.28 1ckk h PHE 89 N 0.58 1.08 -0.13 0.00 3.57 -0.75 -2.40 116.94 118.89 1ckk h PHE 89 Ca 0.31 -0.30 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1ckk h PHE 89 Cb 0.45 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1ckk h PHE 89 CO -0.00 1.12 0.10 -0.09 -2.23 0.00 0.00 178.31 177.20 1ckk h ARG 90 N 0.76 0.00 0.02 1.11 2.43 0.03 -0.05 114.38 118.69 1ckk h ARG 90 Ca 0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ckk h ARG 90 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 1ckk h ARG 90 CO 0.08 0.00 -0.01 0.28 -1.51 0.00 0.00 179.97 178.81 1ckk h VAL 91 N 0.00 1.37 -0.73 0.20 2.07 -0.86 -3.21 116.25 115.09 1ckk h VAL 91 Ca 0.06 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 1ckk h VAL 91 Cb 0.25 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1ckk h VAL 91 CO -0.00 0.32 0.33 -0.26 0.02 0.00 0.00 177.57 177.97 1ckk h PHE 92 N -0.57 1.05 -1.10 1.57 0.04 -1.12 -2.97 116.94 113.84 1ckk h PHE 92 Ca -0.00 -0.05 -0.64 0.00 2.80 0.00 0.00 57.97 60.08 1ckk h PHE 92 Cb 0.54 -0.32 -0.14 0.00 2.20 0.00 0.00 35.95 38.22 1ckk h PHE 92 CO 0.11 0.78 1.56 -3.47 -0.60 0.00 0.00 178.31 176.69 1ckk n ASP 93 N -4.31 7.38 -0.07 2.17 -0.08 -0.09 -4.54 116.55 117.00 1ckk n ASP 93 Ca 0.07 -3.16 -0.07 0.00 -1.51 0.00 0.00 54.79 50.12 1ckk n ASP 93 Cb 0.15 -1.31 -0.00 0.00 2.34 0.00 0.00 41.12 42.30 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ckk h LYS 94 N 3.93 0.12 -0.59 -0.67 1.79 -1.57 -1.23 116.57 118.34 1ckk h LYS 94 Ca 0.57 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 59.10 1ckk h LYS 94 Cb 0.49 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 1ckk h LYS 94 CO 1.22 0.08 0.39 0.38 -1.08 0.00 0.00 179.45 180.44 1ckk h ASP 95 N 0.12 0.48 -2.96 0.86 2.03 -1.91 -3.46 116.42 111.59 1ckk h ASP 95 Ca 0.13 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.34 1ckk h ASP 95 Cb 0.16 -0.10 0.05 0.00 -0.83 0.00 0.00 39.33 38.60 1ckk h ASP 95 CO -0.20 0.31 -0.21 0.61 -1.03 0.00 0.00 179.24 178.72 1ckk n GLY 96 N -1.49 0.25 0.05 7.15 0.00 -0.47 -4.97 105.19 105.72 1ckk n GLY 96 Ca 0.08 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.42 0.15 0.00 1.61 6.94 -1.26 -4.97 115.26 116.31 1ckk n ASN 97 Ca -0.07 0.06 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 1ckk n ASN 97 Cb 0.54 1.46 0.00 0.00 -2.36 0.00 0.00 39.78 39.43 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 1.38 1.18 3.54 4.83 0.00 -1.26 -5.09 105.19 109.77 1ckk n GLY 98 Ca -0.11 0.00 -0.11 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 -2.00 -0.82 0.45 1.61 2.02 -1.26 -4.69 117.35 112.66 1ckk s TYR 99 Ca 0.00 1.81 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 1ckk s TYR 99 Cb 0.00 0.39 -0.06 0.00 -0.40 0.00 0.00 41.96 41.89 1ckk s TYR 99 CO 0.00 -0.41 0.84 0.42 -1.57 0.00 0.00 175.55 174.83 1ckk s ILE 100 N 0.96 4.74 0.00 2.71 1.01 0.57 -4.80 121.20 126.39 1ckk s ILE 100 Ca -0.05 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.33 1ckk s ILE 100 Cb -0.05 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1ckk s ILE 100 CO -0.09 -0.64 -0.01 -0.55 0.00 0.00 0.00 174.94 173.65 1ckk s SER 101 N -3.31 0.13 0.58 3.58 0.15 -1.26 -2.21 113.70 111.36 1ckk s SER 101 Ca 0.53 -0.05 0.37 0.00 0.70 0.00 0.00 55.95 57.50 1ckk s SER 101 Cb -0.10 -0.01 1.32 0.00 -1.71 0.00 0.00 66.02 65.52 1ckk s SER 101 CO 0.34 -0.00 1.47 0.00 1.20 0.00 0.00 173.24 176.25 1ckk h ALA 102 N 6.04 3.32 0.41 5.45 0.00 -1.95 0.37 119.26 132.90 1ckk h ALA 102 Ca -0.25 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ckk h ALA 102 Cb 1.21 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ckk h ALA 102 CO 0.50 -1.97 -0.20 0.00 0.00 0.00 0.00 179.25 177.58 1ckk h ALA 103 N 0.82 -0.55 -0.65 0.00 0.00 -1.99 -1.54 119.26 115.35 1ckk h ALA 103 Ca 0.67 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1ckk h ALA 103 Cb 3.16 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 21.10 1ckk h ALA 103 CO -0.01 -0.67 0.31 0.93 0.00 0.00 0.00 179.25 179.81 1ckk h GLU 104 N -0.83 0.53 -0.58 0.00 5.08 -0.56 -1.26 114.58 116.97 1ckk h GLU 104 Ca -0.06 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1ckk h GLU 104 Cb 0.55 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1ckk h GLU 104 CO 0.09 0.35 0.31 -0.07 -1.00 0.00 0.00 179.01 178.70 1ckk h LEU 105 N 0.55 0.47 -1.18 1.33 3.38 -1.40 -0.54 115.31 117.92 1ckk h LEU 105 Ca 0.31 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.41 1ckk h LEU 105 Cb 0.31 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1ckk h LEU 105 CO -0.25 0.32 0.58 -0.09 0.09 0.00 0.00 178.44 179.09 1ckk h ARG 106 N 0.60 0.88 -0.19 1.13 9.65 -0.18 0.25 114.38 126.52 1ckk h ARG 106 Ca 0.25 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 1ckk h ARG 106 Cb 0.13 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1ckk h ARG 106 CO -0.15 0.58 -0.01 1.25 2.80 0.00 0.00 179.97 184.44 1ckk h HIS 107 N 0.90 0.28 0.00 2.20 2.76 -0.52 -0.62 115.15 120.16 1ckk h HIS 107 Ca 0.42 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.56 1ckk h HIS 107 Cb 0.41 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1ckk h HIS 107 CO -0.00 0.30 -0.12 0.28 -1.30 0.00 0.00 177.93 177.08 1ckk h VAL 108 N 0.27 1.26 -0.89 5.26 2.07 -0.09 -2.63 116.25 121.50 1ckk h VAL 108 Ca 0.06 -1.99 0.04 0.00 0.82 0.00 0.00 66.70 65.63 1ckk h VAL 108 Cb 0.20 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1ckk h VAL 108 CO 0.00 0.43 0.58 0.00 0.02 0.00 0.00 177.57 178.60 1ckk h MET 109 N -1.00 1.06 -0.30 1.57 3.00 -0.82 0.31 114.93 118.75 1ckk h MET 109 Ca -0.03 -0.06 -0.18 0.00 0.00 0.00 0.00 59.70 59.42 1ckk h MET 109 Cb 0.79 -0.24 0.00 0.00 0.00 0.00 0.00 31.60 32.15 1ckk h MET 109 CO -0.02 0.70 -0.53 1.15 0.00 0.00 0.00 176.91 178.22 1ckk h THR 110 N 1.09 1.27 -0.00 -0.10 2.02 -1.15 -1.77 112.91 114.28 1ckk h THR 110 Ca 0.36 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1ckk h THR 110 Cb 0.05 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1ckk h THR 110 CO -0.11 0.56 -0.00 0.59 0.37 0.00 0.00 175.52 176.93 1ckk n ASN 111 N -4.02 0.01 -0.09 4.18 3.02 -0.83 -3.32 115.26 114.21 1ckk n ASN 111 Ca -0.04 -0.34 -0.10 0.00 -0.03 0.00 0.00 54.58 54.07 1ckk n ASN 111 Cb 0.62 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 39.42 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ckk n LEU 112 N -1.22 0.29 0.00 3.41 4.77 0.10 -4.34 117.00 120.01 1ckk n LEU 112 Ca 0.16 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1ckk n LEU 112 Cb 0.21 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1ckk n LEU 112 CO 0.22 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1ckk n GLY 113 N 1.74 3.03 3.67 -0.72 0.00 -0.70 -4.93 105.19 107.28 1ckk n GLY 113 Ca -0.31 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 2.80 -0.11 1.61 2.12 -1.02 -4.88 118.70 119.22 1ckk s GLU 114 Ca 0.00 -0.58 0.16 0.00 0.36 0.00 0.00 54.97 54.91 1ckk s GLU 114 Cb 0.00 -2.67 0.24 0.00 0.26 0.00 0.00 34.13 31.96 1ckk s GLU 114 CO 0.00 0.64 1.12 0.36 -0.54 0.00 0.00 175.26 176.84 1ckk n LYS 115 N 1.60 1.45 0.00 4.30 2.85 -1.25 -3.55 118.16 123.56 1ckk n LYS 115 Ca -0.16 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.71 1ckk n LYS 115 Cb 0.53 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckk n LEU 116 N -1.28 0.00 0.00 -5.58 4.32 -1.26 -4.80 117.00 108.40 1ckk n LEU 116 Ca 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 56.07 1ckk n LEU 116 Cb 0.59 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 42.41 1ckk n LEU 116 CO 0.01 -0.01 0.11 0.41 -1.22 0.00 0.00 177.39 176.69 1ckk n THR 117 N -0.01 0.00 -0.08 -5.08 -1.04 -1.26 -4.95 114.28 101.86 1ckk n THR 117 Ca 0.00 -0.57 -0.17 0.00 -2.04 0.00 0.00 64.05 61.26 1ckk n THR 117 Cb 0.00 -0.85 -0.12 0.00 -1.82 0.00 0.00 70.33 67.54 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 0.03 0.00 -0.03 8.00 5.19 -1.99 -2.70 116.42 124.92 1ckk h ASP 118 Ca -0.08 -0.78 -0.06 0.00 -0.62 0.00 0.00 57.03 55.49 1ckk h ASP 118 Cb 0.37 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1ckk h ASP 118 CO 0.12 1.21 -0.12 -0.33 -3.12 0.00 0.00 179.24 177.00 1ckk h GLU 119 N -1.00 0.32 0.04 3.56 5.08 -1.98 0.04 114.58 120.65 1ckk h GLU 119 Ca -0.15 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1ckk h GLU 119 Cb 1.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1ckk h GLU 119 CO -0.09 0.46 -0.02 0.93 -1.00 0.00 0.00 179.01 179.28 1ckk h GLU 120 N 0.31 -0.05 -0.79 2.33 5.08 -1.97 0.16 114.58 119.64 1ckk h GLU 120 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ckk h GLU 120 Cb 0.41 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1ckk h GLU 120 CO 0.02 0.38 0.51 0.28 -1.00 0.00 0.00 179.01 179.21 1ckk h VAL 121 N -0.51 1.21 -0.00 3.13 2.07 -1.26 -0.71 116.25 120.18 1ckk h VAL 121 Ca -0.01 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1ckk h VAL 121 Cb 0.46 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ckk h VAL 121 CO 0.01 0.20 0.00 -0.78 0.02 0.00 0.00 177.57 177.02 1ckk h ASP 122 N 1.07 0.00 -0.21 0.57 3.58 -0.95 -2.15 116.42 118.33 1ckk h ASP 122 Ca 0.29 -0.31 0.06 0.00 0.42 0.00 0.00 57.03 57.49 1ckk h ASP 122 Cb -0.10 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1ckk h ASP 122 CO -0.06 0.31 0.24 -0.33 -2.88 0.00 0.00 179.24 176.52 1ckk h GLU 123 N -0.30 0.00 0.52 0.28 5.08 -0.41 -0.89 114.58 118.85 1ckk h GLU 123 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 123 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1ckk h GLU 123 CO 0.00 0.00 -0.25 1.98 -1.00 0.00 0.00 179.01 179.74 1ckk h MET 124 N 0.00 -0.67 0.00 2.33 4.05 -0.47 0.71 114.93 120.89 1ckk h MET 124 Ca 0.10 0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.55 1ckk h MET 124 Cb 0.58 0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.53 1ckk h MET 124 CO -0.00 -0.36 -0.09 0.82 0.23 0.00 0.00 176.91 177.50 1ckk h ILE 125 N -1.02 0.50 0.03 1.77 1.08 -1.14 -2.33 117.51 116.39 1ckk h ILE 125 Ca -0.07 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1ckk h ILE 125 Cb 0.61 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 1ckk h ILE 125 CO 0.12 0.09 -0.02 0.03 -0.69 0.00 0.00 178.15 177.68 1ckk h ARG 126 N 0.00 -0.04 0.00 2.37 3.08 -1.03 -0.94 114.38 117.82 1ckk h ARG 126 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ckk h ARG 126 Cb 0.29 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1ckk h ARG 126 CO 0.01 0.65 0.00 -1.91 -1.07 0.00 0.00 179.97 177.65 1ckk n GLU 127 N -4.75 0.08 -0.09 0.04 0.00 0.23 -2.18 120.64 113.98 1ckk n GLU 127 Ca -0.08 0.47 -0.13 0.00 0.00 0.00 0.00 57.16 57.42 1ckk n GLU 127 Cb 0.35 -1.71 -0.15 0.00 0.00 0.00 0.00 31.44 29.93 1ckk n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ckk n ALA 128 N -1.64 1.45 -1.51 4.31 0.00 -0.89 -4.78 120.51 117.45 1ckk n ALA 128 Ca 0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 53.44 52.14 1ckk n ALA 128 Cb 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 1ckk n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckk n ASP 129 N -2.96 0.87 0.16 0.00 8.00 -0.36 -4.66 116.55 117.60 1ckk n ASP 129 Ca -0.35 -1.69 0.03 0.00 0.71 0.00 0.00 54.79 53.49 1ckk n ASP 129 Cb 1.10 -1.44 0.25 0.00 -0.02 0.00 0.00 41.12 41.00 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 7.22 1.11 0.00 0.53 2.04 -1.86 -3.23 117.51 123.32 1ckk h ILE 130 Ca 0.01 -1.82 -0.28 0.00 1.00 0.00 0.00 64.86 63.77 1ckk h ILE 130 Cb 1.02 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 39.10 1ckk h ILE 130 CO 1.08 0.48 -2.06 -0.90 0.00 0.00 0.00 178.15 176.75 1ckk n ASP 131 N -3.62 0.30 -1.32 1.72 5.75 -1.26 -5.05 116.55 113.07 1ckk n ASP 131 Ca -0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1ckk n ASP 131 Cb 0.57 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 41.44 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 1.60 -0.37 0.00 6.12 0.00 -1.22 -5.03 105.19 106.29 1ckk n GLY 132 Ca -0.23 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1ckk n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 133 N -0.64 2.41 0.00 1.61 5.75 -1.26 -5.01 116.55 119.41 1ckk n ASP 133 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 1ckk n ASP 133 Cb 0.20 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 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 1.32 1.09 3.73 6.12 0.00 -1.26 -5.06 105.19 111.12 1ckk n GLY 134 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.82 1.00 0.14 1.61 -2.07 -1.26 -4.85 119.66 113.41 1ckk s GLN 135 Ca 0.00 -0.55 0.09 0.00 -1.82 0.00 0.00 55.36 53.07 1ckk s GLN 135 Cb 0.00 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.22 1ckk s GLN 135 CO 0.00 -0.46 -0.13 0.08 -1.32 0.00 0.00 175.29 173.46 1ckk s VAL 136 N -3.03 3.09 0.00 3.63 1.01 -0.94 -4.80 120.40 119.35 1ckk s VAL 136 Ca 0.13 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1ckk s VAL 136 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1ckk s VAL 136 CO 0.01 0.01 0.00 -3.20 0.00 0.00 0.00 175.10 171.92 1ckk n ASN 137 N 0.44 1.68 0.09 3.32 5.15 -1.26 0.21 115.26 124.89 1ckk n ASN 137 Ca -0.13 -0.96 -0.13 0.00 -0.60 0.00 0.00 54.58 52.76 1ckk n ASN 137 Cb 0.54 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.70 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ckk h TYR 138 N 0.80 -0.22 -0.10 1.20 3.20 -1.99 -2.67 116.97 117.20 1ckk h TYR 138 Ca 0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1ckk h TYR 138 Cb 0.00 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1ckk h TYR 138 CO 0.00 0.14 -0.14 1.49 -1.64 0.00 0.00 178.16 178.01 1ckk h GLU 139 N -0.63 -0.10 -0.62 1.82 4.81 -1.98 -1.38 114.58 116.49 1ckk h GLU 139 Ca -0.02 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1ckk h GLU 139 Cb 0.46 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.77 1ckk h GLU 139 CO 0.04 -0.07 -0.55 1.49 -0.73 0.00 0.00 179.01 179.19 1ckk h GLU 140 N -0.11 -0.24 -1.00 1.92 4.81 -1.98 1.67 114.58 119.66 1ckk h GLU 140 Ca 0.02 0.02 0.29 0.00 -0.13 0.00 0.00 59.36 59.55 1ckk h GLU 140 Cb 0.15 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1ckk h GLU 140 CO -0.15 -0.16 1.05 0.35 -0.73 0.00 0.00 179.01 179.37 1ckk h PHE 141 N -0.25 0.00 0.00 0.92 3.57 -1.02 0.60 116.94 120.76 1ckk h PHE 141 Ca 0.12 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.26 1ckk h PHE 141 Cb 0.54 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 1ckk h PHE 141 CO -0.82 0.00 -2.32 0.28 -2.23 0.00 0.00 178.31 173.22 1ckk n VAL 142 N -3.47 1.42 -0.21 1.41 0.31 0.51 -3.91 118.33 114.38 1ckk n VAL 142 Ca 0.22 -0.83 -0.09 0.00 -0.01 0.00 0.00 64.34 63.63 1ckk n VAL 142 Cb 1.36 -0.60 0.03 0.00 -0.91 0.00 0.00 33.84 33.72 1ckk n VAL 142 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ckk h GLN 143 N 0.00 1.03 -0.14 5.55 1.08 0.59 0.87 115.11 124.09 1ckk h GLN 143 Ca -0.52 -0.30 -0.18 0.00 -1.45 0.00 0.00 58.65 56.19 1ckk h GLN 143 Cb 2.20 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 29.52 1ckk h GLN 143 CO 0.03 0.99 -0.66 0.52 -0.95 0.00 0.00 178.83 178.75 1ckk h MET 144 N 0.93 0.55 0.00 1.46 2.86 -1.52 -2.82 114.93 116.40 1ckk h MET 144 Ca 0.18 -0.40 -0.15 0.00 -2.06 0.00 0.00 59.70 57.26 1ckk h MET 144 Cb 0.49 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1ckk h MET 144 CO 0.02 1.03 -1.01 0.52 1.06 0.00 0.00 176.91 178.52 1ckk h MET 145 N 0.40 0.00 -0.50 1.72 2.86 -1.65 -3.44 114.93 114.32 1ckk h MET 145 Ca -0.02 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.75 1ckk h MET 145 Cb 1.23 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.70 1ckk h MET 145 CO 0.12 0.45 -0.17 -0.08 1.06 0.00 0.00 176.91 178.30 1ckk s THR 146 N -2.90 -0.50 -0.57 2.22 -1.32 0.30 -5.04 115.64 107.84 1ckk s THR 146 Ca 0.00 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.45 1ckk s THR 146 Cb 0.08 -0.34 0.15 0.00 -1.51 0.00 0.00 72.50 70.89 1ckk s THR 146 CO 0.79 0.00 2.53 0.00 -2.21 0.00 0.00 174.62 175.73 1ckk n ALA 147 N 4.82 6.44 -0.69 11.08 0.00 -1.07 -4.09 120.51 137.00 1ckk n ALA 147 Ca 0.08 -3.32 0.00 0.00 0.00 0.00 0.00 53.44 50.20 1ckk n ALA 147 Cb 0.58 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1ckk n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86