#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk s ASP 2 N 0.00 5.50 0.00 0.00 1.01 -1.26 -4.92 116.67 117.00 1ckk s ASP 2 Ca 0.00 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1ckk s ASP 2 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1ckk s ASP 2 CO 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 175.17 172.93 1ckk n GLN 3 N 8.77 3.26 -1.29 8.23 1.13 -1.26 -5.02 117.38 131.20 1ckk n GLN 3 Ca 0.40 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.60 1ckk n GLN 3 Cb 0.48 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.75 1ckk n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ckk n LEU 4 N 0.00 -0.85 -4.02 1.08 4.77 -1.26 -4.73 117.00 111.99 1ckk n LEU 4 Ca 0.00 1.97 -0.28 0.00 -0.03 0.00 0.00 56.01 57.68 1ckk n LEU 4 Cb 0.00 -2.93 -0.03 0.00 -2.33 0.00 0.00 43.42 38.13 1ckk n LEU 4 CO 0.00 -1.82 -0.21 0.41 -1.33 0.00 0.00 177.39 174.44 1ckk n THR 5 N -4.11 -2.57 -0.01 -5.08 -1.04 -1.26 -4.84 114.28 95.37 1ckk n THR 5 Ca -0.08 -0.41 0.10 0.00 -2.04 0.00 0.00 64.05 61.63 1ckk n THR 5 Cb 0.57 -2.39 -0.17 0.00 -1.82 0.00 0.00 70.33 66.53 1ckk n THR 5 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1ckk n GLU 6 N -4.42 0.65 0.11 -2.82 2.13 -1.26 -4.41 120.64 110.62 1ckk n GLU 6 Ca -0.24 -0.19 -0.12 0.00 0.66 0.00 0.00 57.16 57.26 1ckk n GLU 6 Cb 0.65 -1.51 -0.06 0.00 0.27 0.00 0.00 31.44 30.80 1ckk n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ckk h GLU 7 N 0.00 -0.36 -0.71 5.31 4.81 -2.00 -0.96 114.58 120.67 1ckk h GLU 7 Ca -0.01 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1ckk h GLU 7 Cb 1.01 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1ckk h GLU 7 CO 0.00 -0.24 0.47 1.96 -0.73 0.00 0.00 179.01 180.47 1ckk h GLN 8 N -0.37 0.60 -0.13 1.92 4.20 -1.99 -0.14 115.11 119.19 1ckk h GLN 8 Ca 0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1ckk h GLN 8 Cb 0.39 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ckk h GLN 8 CO -0.10 0.40 -0.40 0.82 -0.67 0.00 0.00 178.83 178.88 1ckk h ILE 9 N 0.62 1.30 -0.23 2.54 2.04 -1.54 -2.38 117.51 119.86 1ckk h ILE 9 Ca 0.32 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.59 1ckk h ILE 9 Cb 0.44 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1ckk h ILE 9 CO -0.11 0.45 -0.22 0.00 0.00 0.00 0.00 178.15 178.27 1ckk h ALA 10 N 1.34 0.34 -0.08 1.87 0.00 0.25 -2.69 119.26 120.30 1ckk h ALA 10 Ca 0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1ckk h ALA 10 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ckk h ALA 10 CO 0.06 0.29 -0.21 1.05 0.00 0.00 0.00 179.25 180.45 1ckk h GLU 11 N 0.25 0.13 -0.39 0.00 4.11 -1.32 -2.64 114.58 114.73 1ckk h GLU 11 Ca 0.04 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1ckk h GLU 11 Cb 0.77 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1ckk h GLU 11 CO 0.06 0.34 0.04 0.74 0.07 0.00 0.00 179.01 180.26 1ckk h PHE 12 N 0.12 0.70 -0.65 2.06 0.04 -1.27 -1.17 116.94 116.78 1ckk h PHE 12 Ca 0.02 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.69 1ckk h PHE 12 Cb 0.45 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 1ckk h PHE 12 CO 0.00 0.71 0.43 -0.22 -0.60 0.00 0.00 178.31 178.63 1ckk h LYS 13 N 0.50 0.85 -0.90 1.51 1.63 -1.14 0.14 116.57 119.16 1ckk h LYS 13 Ca 0.12 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1ckk h LYS 13 Cb 0.40 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1ckk h LYS 13 CO 0.01 0.56 0.50 1.49 -3.45 0.00 0.00 179.45 178.56 1ckk h GLU 14 N 0.88 1.25 0.15 1.90 4.57 -1.26 0.46 114.58 122.53 1ckk h GLU 14 Ca 0.24 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1ckk h GLU 14 Cb -0.10 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.25 1ckk h GLU 14 CO -0.05 0.91 -0.07 0.00 -1.18 0.00 0.00 179.01 178.61 1ckk h ALA 15 N 1.27 -0.20 -0.10 2.92 0.00 -0.33 -0.34 119.26 122.48 1ckk h ALA 15 Ca 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ckk h ALA 15 Cb 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ckk h ALA 15 CO -0.05 -0.47 0.10 0.35 0.00 0.00 0.00 179.25 179.18 1ckk h PHE 16 N -0.49 0.00 0.02 0.00 3.57 -0.54 0.65 116.94 120.16 1ckk h PHE 16 Ca -0.02 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.25 1ckk h PHE 16 Cb 0.38 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1ckk h PHE 16 CO 0.02 0.00 -0.97 1.03 -2.23 0.00 0.00 178.31 176.16 1ckk h SER 17 N 0.00 0.44 -0.48 0.41 0.87 -0.33 -1.43 113.55 113.02 1ckk h SER 17 Ca 0.05 -0.37 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1ckk h SER 17 Cb 0.25 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1ckk h SER 17 CO -0.00 1.19 0.29 0.25 -0.53 0.00 0.00 176.83 178.03 1ckk h LEU 18 N 0.17 0.49 -0.00 2.23 6.46 0.87 -3.04 115.31 122.49 1ckk h LEU 18 Ca -0.08 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1ckk h LEU 18 Cb 1.62 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.44 1ckk h LEU 18 CO 0.16 0.35 -0.02 -0.26 -0.62 0.00 0.00 178.44 178.04 1ckk h PHE 19 N 0.59 0.03 -0.05 1.25 0.04 -1.52 -3.36 116.94 113.93 1ckk h PHE 19 Ca 0.19 -0.01 -0.59 0.00 2.80 0.00 0.00 57.97 60.35 1ckk h PHE 19 Cb -0.01 -0.00 0.06 0.00 2.20 0.00 0.00 35.95 38.20 1ckk h PHE 19 CO -0.06 0.72 1.92 -3.47 -0.60 0.00 0.00 178.31 176.82 1ckk n ASP 20 N -4.73 2.22 -0.33 2.17 -0.08 -0.54 -4.66 116.55 110.61 1ckk n ASP 20 Ca -0.09 -2.64 0.25 0.00 -1.51 0.00 0.00 54.79 50.81 1ckk n ASP 20 Cb 0.36 -1.06 0.48 0.00 2.34 0.00 0.00 41.12 43.24 1ckk n ASP 20 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ckk h LYS 21 N 8.63 0.07 0.13 -0.67 1.63 -1.71 0.85 116.57 125.50 1ckk h LYS 21 Ca 0.36 -0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.87 1ckk h LYS 21 Cb 0.71 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1ckk h LYS 21 CO 1.88 0.05 -1.42 0.38 -3.45 0.00 0.00 179.45 176.89 1ckk h ASP 22 N 0.07 0.44 -0.02 4.20 2.03 -1.88 -3.49 116.42 117.77 1ckk h ASP 22 Ca 0.75 -0.88 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1ckk h ASP 22 Cb 1.85 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.21 1ckk h ASP 22 CO -0.77 1.63 0.00 0.61 -1.03 0.00 0.00 179.24 179.68 1ckk n GLY 23 N 1.76 1.69 0.06 7.15 0.00 0.29 -4.97 105.19 111.16 1ckk n GLY 23 Ca -0.24 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ckk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 24 N 0.14 0.20 0.00 1.61 5.75 -1.26 -4.87 116.55 118.12 1ckk n ASP 24 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 1ckk n ASP 24 Cb 0.04 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 25 N 1.15 0.60 3.35 6.12 0.00 -1.26 -5.04 105.19 110.11 1ckk n GLY 25 Ca 0.19 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 1ckk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 26 N -2.00 -0.78 -0.19 2.61 -4.23 -1.25 -4.48 115.64 105.33 1ckk s THR 26 Ca 0.00 0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.40 1ckk s THR 26 Cb 0.00 -0.80 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 1ckk s THR 26 CO 0.00 0.03 0.57 -0.63 -0.54 0.00 0.00 174.62 174.05 1ckk s ILE 27 N 2.71 5.08 0.39 2.99 1.01 -0.72 -4.81 121.20 127.85 1ckk s ILE 27 Ca -0.01 1.07 0.07 0.00 0.00 0.00 0.00 60.65 61.79 1ckk s ILE 27 Cb -0.12 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1ckk s ILE 27 CO -0.15 0.17 0.53 0.42 0.00 0.00 0.00 174.94 175.90 1ckk s THR 28 N 1.62 3.41 0.51 2.92 -4.23 -1.26 -2.53 115.64 116.09 1ckk s THR 28 Ca 0.27 -1.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.98 1ckk s THR 28 Cb -0.16 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.80 1ckk s THR 28 CO 0.10 -0.06 2.13 0.71 -0.54 0.00 0.00 174.62 176.96 1ckk h THR 29 N 0.74 0.88 -0.09 3.99 1.35 -1.98 -2.37 112.91 115.44 1ckk h THR 29 Ca -0.42 -0.21 -0.11 0.00 -0.55 0.00 0.00 66.41 65.11 1ckk h THR 29 Cb 1.27 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1ckk h THR 29 CO 0.48 0.06 -0.37 0.11 -0.25 0.00 0.00 175.52 175.55 1ckk h LYS 30 N 0.00 0.42 0.89 4.72 1.57 -1.97 -1.06 116.57 121.13 1ckk h LYS 30 Ca -0.00 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 1ckk h LYS 30 Cb 0.12 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ckk h LYS 30 CO 0.01 0.95 -0.43 0.93 -0.57 0.00 0.00 179.45 180.34 1ckk h GLU 31 N -0.02 -1.15 -0.07 3.15 5.08 -1.78 -0.25 114.58 119.54 1ckk h GLU 31 Ca -0.02 0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1ckk h GLU 31 Cb 1.01 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1ckk h GLU 31 CO 0.08 -0.77 0.05 1.25 -1.00 0.00 0.00 179.01 178.62 1ckk h LEU 32 N -1.26 0.00 -0.44 1.33 5.85 -1.56 -1.41 115.31 117.82 1ckk h LEU 32 Ca -0.12 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.45 1ckk h LEU 32 Cb 0.91 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1ckk h LEU 32 CO 0.20 0.00 -0.30 1.23 -0.34 0.00 0.00 178.44 179.23 1ckk h GLY 33 N 0.00 1.06 0.52 3.75 0.00 -0.86 -0.75 103.07 106.79 1ckk h GLY 33 Ca 0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 1ckk h GLY 33 CO -0.00 0.92 -0.02 -0.84 0.00 0.00 0.00 176.54 176.60 1ckk h THR 34 N 0.82 1.29 -0.72 4.70 2.02 -0.01 -0.48 112.91 120.53 1ckk h THR 34 Ca 0.09 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1ckk h THR 34 Cb 0.89 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 69.27 1ckk h THR 34 CO 0.08 0.27 0.46 0.58 0.37 0.00 0.00 175.52 177.28 1ckk h VAL 35 N -0.53 1.19 -0.45 3.16 2.07 -1.38 -1.02 116.25 119.28 1ckk h VAL 35 Ca -0.01 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1ckk h VAL 35 Cb 0.49 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1ckk h VAL 35 CO 0.01 0.19 -0.05 0.24 0.02 0.00 0.00 177.57 177.98 1ckk h MET 36 N 0.97 0.84 0.00 1.57 2.86 -1.15 -2.16 114.93 117.86 1ckk h MET 36 Ca 0.26 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1ckk h MET 36 Cb -0.08 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1ckk h MET 36 CO -0.05 0.92 0.00 -2.13 1.06 0.00 0.00 176.91 176.71 1ckk n ARG 37 N -4.32 0.16 0.14 1.72 0.63 -0.19 -3.28 116.66 111.52 1ckk n ARG 37 Ca -0.00 0.45 -0.09 0.00 -0.92 0.00 0.00 57.85 57.29 1ckk n ARG 37 Cb 0.34 -1.84 -0.05 0.00 0.45 0.00 0.00 32.46 31.36 1ckk n ARG 37 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1ckk h SER 38 N 0.00 -0.37 -1.21 6.15 0.02 -0.51 -3.18 113.55 114.45 1ckk h SER 38 Ca 0.00 -0.10 0.35 0.00 -0.84 0.00 0.00 61.79 61.20 1ckk h SER 38 Cb 0.27 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1ckk h SER 38 CO 0.00 0.09 0.97 -0.07 -1.14 0.00 0.00 176.83 176.68 1ckk h LEU 39 N -1.05 0.00 0.00 5.07 3.38 -1.57 -3.43 115.31 117.71 1ckk h LEU 39 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ckk h LEU 39 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ckk h LEU 39 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1ckk n GLY 40 N -1.75 0.47 0.00 0.83 0.00 -1.20 -5.07 105.19 98.47 1ckk n GLY 40 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 1.45 -2.67 1.61 1.13 -1.25 -5.07 117.38 112.58 1ckk n GLN 41 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 1ckk n GLN 41 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 30.24 30.41 1ckk n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ckk n ASN 42 N -0.45 0.25 -4.00 1.08 2.85 -1.26 -4.81 115.26 108.91 1ckk n ASN 42 Ca 0.00 -2.62 -0.40 0.00 -0.11 0.00 0.00 54.58 51.45 1ckk n ASN 42 Cb 0.00 0.02 -0.04 0.00 1.24 0.00 0.00 39.78 41.00 1ckk n ASN 42 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ckk n PRO 43 N -0.26 2.10 0.00 1.20 -0.04 -1.26 -4.96 135.00 131.78 1ckk n PRO 43 Ca 0.05 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.13 1ckk n PRO 43 Cb 0.83 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1ckk n PRO 43 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ckk n THR 44 N 6.25 0.00 0.29 0.52 5.66 -1.26 -4.30 114.28 121.44 1ckk n THR 44 Ca 0.49 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 61.35 1ckk n THR 44 Cb 0.42 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.13 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 -0.75 -0.96 1.09 4.57 -1.97 -0.35 114.58 116.20 1ckk h GLU 45 Ca 0.00 0.05 0.31 0.00 -1.18 0.00 0.00 59.36 58.54 1ckk h GLU 45 Cb 0.00 0.17 -0.16 0.00 -0.16 0.00 0.00 28.75 28.60 1ckk h GLU 45 CO 0.00 -0.45 0.34 0.00 -1.18 0.00 0.00 179.01 177.72 1ckk h ALA 46 N -0.99 1.63 -0.27 2.92 0.00 -2.00 0.80 119.26 121.36 1ckk h ALA 46 Ca -0.08 0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1ckk h ALA 46 Cb 0.64 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ckk h ALA 46 CO 0.13 -0.64 -0.47 0.93 0.00 0.00 0.00 179.25 179.20 1ckk h GLU 47 N 0.13 0.79 0.23 0.00 4.39 -1.84 -2.66 114.58 115.63 1ckk h GLU 47 Ca 0.68 -0.49 0.01 0.00 0.34 0.00 0.00 59.36 59.89 1ckk h GLU 47 Cb 1.56 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.22 1ckk h GLU 47 CO -0.74 1.12 -0.49 -0.07 -1.16 0.00 0.00 179.01 177.68 1ckk h LEU 48 N 0.55 -1.43 -0.92 1.33 3.38 0.24 0.20 115.31 118.66 1ckk h LEU 48 Ca 0.02 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1ckk h LEU 48 Cb 1.08 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 1ckk h LEU 48 CO 0.11 -0.57 0.54 -0.61 0.09 0.00 0.00 178.44 178.00 1ckk h GLN 49 N -0.80 0.81 -0.81 1.13 -0.00 -1.29 0.33 115.11 114.49 1ckk h GLN 49 Ca -0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.57 1ckk h GLN 49 Cb 0.77 -0.18 -0.04 0.00 0.00 0.00 0.00 27.48 28.03 1ckk h GLN 49 CO -0.21 0.54 0.45 0.22 0.00 0.00 0.00 178.83 179.83 1ckk h ASP 50 N 0.83 1.01 -0.07 -0.69 1.82 -0.89 0.44 116.42 118.88 1ckk h ASP 50 Ca 0.47 -0.09 -0.13 0.00 -0.39 0.00 0.00 57.03 56.88 1ckk h ASP 50 Cb 0.53 -0.26 0.01 0.00 0.68 0.00 0.00 39.33 40.29 1ckk h ASP 50 CO -0.29 0.81 -0.48 -0.03 -1.61 0.00 0.00 179.24 177.64 1ckk h MET 51 N 1.12 0.45 -0.06 0.28 4.05 0.11 -3.11 114.93 117.76 1ckk h MET 51 Ca 0.29 -0.39 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1ckk h MET 51 Cb 0.02 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1ckk h MET 51 CO -0.05 1.03 -0.04 0.82 0.23 0.00 0.00 176.91 178.90 1ckk h ILE 52 N -0.01 1.07 0.00 1.77 1.08 -0.24 0.03 117.51 121.21 1ckk h ILE 52 Ca -0.04 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1ckk h ILE 52 Cb 1.14 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.97 1ckk h ILE 52 CO 0.10 0.10 0.00 0.59 -0.69 0.00 0.00 178.15 178.24 1ckk n ASN 53 N -4.43 0.00 0.02 1.72 3.02 0.13 -1.95 115.26 113.77 1ckk n ASN 53 Ca -0.02 -0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 54.01 1ckk n ASN 53 Cb 0.16 -0.11 -0.13 0.00 -0.61 0.00 0.00 39.78 39.08 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ckk h GLU 54 N 0.00 0.05 0.00 3.52 4.57 -1.00 -3.41 114.58 118.31 1ckk h GLU 54 Ca 0.00 -0.08 -0.26 0.00 -1.18 0.00 0.00 59.36 57.84 1ckk h GLU 54 Cb 0.08 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1ckk h GLU 54 CO 0.00 0.81 -1.91 0.28 -1.18 0.00 0.00 179.01 177.00 1ckk n VAL 55 N -3.24 0.91 -1.46 0.32 0.31 -1.15 -4.88 118.33 109.13 1ckk n VAL 55 Ca -0.11 -0.27 -0.17 0.00 -0.01 0.00 0.00 64.34 63.78 1ckk n VAL 55 Cb 1.01 -1.48 -0.16 0.00 -0.91 0.00 0.00 33.84 32.30 1ckk n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ckk n ASP 56 N -3.46 -0.64 -0.18 4.52 -0.08 -0.82 -4.64 116.55 111.26 1ckk n ASP 56 Ca -0.31 -0.95 0.14 0.00 -1.51 0.00 0.00 54.79 52.17 1ckk n ASP 56 Cb 0.75 -0.86 0.61 0.00 2.34 0.00 0.00 41.12 43.97 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk n ALA 57 N 9.16 2.76 -0.09 -1.67 0.00 -1.26 -4.09 120.51 125.31 1ckk n ALA 57 Ca 0.55 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1ckk n ALA 57 Cb 0.26 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1ckk n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckk n ASP 58 N -0.73 1.85 0.00 0.00 8.00 -1.26 -5.02 116.55 119.39 1ckk n ASP 58 Ca 0.16 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.16 1ckk n ASP 58 Cb 0.28 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1ckk n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ckk n GLY 59 N 1.49 1.72 0.11 0.44 0.00 -1.26 -5.03 105.19 102.66 1ckk n GLY 59 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 0.20 0.00 1.61 -1.07 -1.95 -3.49 115.58 110.89 1ckk h ASN 60 Ca 0.00 -0.74 0.00 0.00 0.07 0.00 0.00 56.30 55.63 1ckk h ASN 60 Cb 0.00 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 1ckk h ASN 60 CO 0.00 1.55 0.00 0.61 0.07 0.00 0.00 177.43 179.66 1ckk n GLY 61 N 1.64 0.94 3.10 9.14 0.00 -1.26 -5.11 105.19 113.64 1ckk n GLY 61 Ca -0.28 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1ckk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 62 N -1.91 0.72 0.14 2.61 -4.23 -1.26 -4.68 115.64 107.03 1ckk s THR 62 Ca 0.00 -1.14 -0.14 0.00 -1.18 0.00 0.00 61.69 59.22 1ckk s THR 62 Cb 0.00 -0.75 -0.07 0.00 1.34 0.00 0.00 72.50 73.02 1ckk s THR 62 CO 0.00 -0.33 0.54 -0.63 -0.54 0.00 0.00 174.62 173.67 1ckk s ILE 63 N -1.33 4.86 0.40 2.99 -1.09 -1.05 -4.78 121.20 121.20 1ckk s ILE 63 Ca -0.07 0.84 0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1ckk s ILE 63 Cb -0.10 -3.74 -0.08 0.00 -1.58 0.00 0.00 42.46 36.96 1ckk s ILE 63 CO 0.01 0.27 -0.00 -1.81 -1.23 0.00 0.00 174.94 172.18 1ckk s ASP 64 N -1.67 3.87 0.25 3.58 1.01 -1.26 -1.75 116.67 120.69 1ckk s ASP 64 Ca 0.37 -1.34 -0.04 0.00 0.71 0.00 0.00 52.55 52.25 1ckk s ASP 64 Cb -0.15 -0.39 0.28 0.00 1.01 0.00 0.00 42.92 43.67 1ckk s ASP 64 CO 0.19 -0.41 1.81 0.15 0.21 0.00 0.00 175.17 177.12 1ckk h PHE 65 N 1.80 1.05 0.00 4.23 3.57 -1.99 -1.48 116.94 124.12 1ckk h PHE 65 Ca -0.44 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 60.92 1ckk h PHE 65 Cb 1.24 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1ckk h PHE 65 CO 0.73 0.81 -0.32 -1.00 -2.23 0.00 0.00 178.31 176.31 1ckk h PRO 66 N 1.01 0.00 0.02 6.41 0.13 -1.97 -2.51 132.00 135.09 1ckk h PRO 66 Ca 0.23 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.12 1ckk h PRO 66 Cb 0.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.36 1ckk h PRO 66 CO -0.02 0.32 -1.00 0.93 -0.23 0.00 0.00 178.00 178.00 1ckk h GLU 67 N 0.00 0.45 -0.77 0.86 5.08 -1.81 -2.83 114.58 115.56 1ckk h GLU 67 Ca -0.00 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1ckk h GLU 67 Cb 0.74 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.10 1ckk h GLU 67 CO 0.04 1.16 0.40 0.35 -1.00 0.00 0.00 179.01 179.96 1ckk h PHE 68 N 0.24 1.08 -0.05 4.33 3.57 -0.90 0.27 116.94 125.47 1ckk h PHE 68 Ca -0.10 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1ckk h PHE 68 Cb 1.65 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1ckk h PHE 68 CO 0.07 0.77 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.85 1ckk h LEU 69 N 1.07 0.10 0.59 0.59 3.38 -1.47 -2.10 115.31 117.46 1ckk h LEU 69 Ca 0.27 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ckk h LEU 69 Cb 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ckk h LEU 69 CO -0.04 0.39 -0.28 0.74 0.09 0.00 0.00 178.44 179.34 1ckk h THR 70 N -0.20 0.13 -1.12 0.22 2.02 -1.34 -3.03 112.91 109.59 1ckk h THR 70 Ca 0.02 -0.41 0.32 0.00 0.77 0.00 0.00 66.41 67.11 1ckk h THR 70 Cb 0.34 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 1ckk h THR 70 CO 0.00 0.02 0.80 0.00 0.37 0.00 0.00 175.52 176.71 1ckk h MET 71 N -1.15 0.03 0.00 6.66 -0.00 -0.56 0.89 114.93 120.79 1ckk h MET 71 Ca -0.08 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1ckk h MET 71 Cb 0.64 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.23 1ckk h MET 71 CO 0.13 0.02 0.00 -1.33 -0.00 0.00 0.00 176.91 175.73 1ckk n MET 72 N -4.23 0.00 -0.00 -0.10 2.00 -0.79 -2.74 117.12 111.27 1ckk n MET 72 Ca 0.24 0.28 0.02 0.00 0.00 0.00 0.00 57.70 58.24 1ckk n MET 72 Cb 1.16 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 32.86 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 -1.50 2.39 0.53 3.04 0.00 0.30 -4.40 120.51 120.88 1ckk n ALA 73 Ca 0.03 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1ckk n ALA 73 Cb 0.15 -0.14 0.38 0.00 0.00 0.00 0.00 19.45 19.84 1ckk n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckk h ARG 74 N 0.00 0.00 0.00 0.00 2.47 -1.24 -3.33 114.38 112.27 1ckk h ARG 74 Ca 0.00 0.00 -0.39 0.00 -1.26 0.00 0.00 59.98 58.33 1ckk h ARG 74 Cb 0.12 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.37 1ckk h ARG 74 CO 0.00 0.00 -2.47 1.63 0.56 0.00 0.00 179.97 179.69 1ckk n LYS 75 N -2.43 0.64 -2.65 0.04 4.76 -1.24 -4.59 118.16 112.69 1ckk n LYS 75 Ca 0.05 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.23 1ckk n LYS 75 Cb 0.42 -1.51 0.01 0.00 -1.84 0.00 0.00 35.03 32.11 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1ckk n MET 76 N -3.29 5.07 0.00 1.97 2.81 -1.25 -3.96 117.12 118.46 1ckk n MET 76 Ca -0.46 -4.48 0.00 0.00 -1.81 0.00 0.00 57.70 50.95 1ckk n MET 76 Cb 0.98 -2.51 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 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 0.60 1.62 0.00 0.03 4.81 -1.25 -4.91 118.16 119.05 1ckk n LYS 77 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1ckk n LYS 77 Cb 0.28 -0.75 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ckk n ASP 78 N -1.40 0.00 -1.18 3.14 8.00 -1.26 -4.98 116.55 118.87 1ckk n ASP 78 Ca 0.00 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.54 1ckk n ASP 78 Cb 0.25 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.45 1ckk n ASP 78 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ckk n THR 79 N 0.00 1.05 -1.76 -3.53 -1.04 -1.26 -4.79 114.28 102.95 1ckk n THR 79 Ca 0.00 -2.11 -0.14 0.00 -2.04 0.00 0.00 64.05 59.76 1ckk n THR 79 Cb 0.00 0.43 0.10 0.00 -1.82 0.00 0.00 70.33 69.04 1ckk n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ckk n ASP 80 N -0.26 3.92 -0.09 8.00 9.92 -1.25 -4.63 116.55 132.16 1ckk n ASP 80 Ca 0.13 -3.80 -0.11 0.00 -0.53 0.00 0.00 54.79 50.47 1ckk n ASP 80 Cb 0.94 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 40.82 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ckk n SER 81 N -0.90 1.80 0.22 -2.24 7.64 -1.26 -4.34 113.62 114.54 1ckk n SER 81 Ca 0.37 -0.06 0.09 0.00 1.01 0.00 0.00 58.87 60.29 1ckk n SER 81 Cb 0.89 0.26 0.48 0.00 -1.01 0.00 0.00 64.21 64.82 1ckk n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ckk h GLU 82 N 0.00 0.00 0.58 1.43 5.08 -1.97 -3.19 114.58 116.52 1ckk h GLU 82 Ca -0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1ckk h GLU 82 Cb 1.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.08 1ckk h GLU 82 CO -0.03 0.26 -0.28 1.49 -1.00 0.00 0.00 179.01 179.45 1ckk h GLU 83 N 0.00 -0.75 -1.14 2.33 4.22 -1.86 -2.67 114.58 114.69 1ckk h GLU 83 Ca -0.00 0.05 0.33 0.00 0.08 0.00 0.00 59.36 59.82 1ckk h GLU 83 Cb 0.69 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1ckk h GLU 83 CO 0.03 -0.45 0.98 0.93 -2.18 0.00 0.00 179.01 178.32 1ckk h GLU 84 N -1.06 0.00 -0.41 1.92 5.08 -1.74 0.75 114.58 119.12 1ckk h GLU 84 Ca -0.08 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1ckk h GLU 84 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1ckk h GLU 84 CO 0.13 0.00 -0.01 0.82 -1.00 0.00 0.00 179.01 178.95 1ckk h ILE 85 N 0.00 1.26 -0.36 3.13 2.04 -1.51 0.54 117.51 122.61 1ckk h ILE 85 Ca 0.54 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1ckk h ILE 85 Cb 2.49 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.67 1ckk h ILE 85 CO -0.01 0.35 0.19 -0.09 0.00 0.00 0.00 178.15 178.60 1ckk h ARG 86 N 0.55 0.38 0.05 2.37 2.43 0.55 1.61 114.38 122.33 1ckk h ARG 86 Ca 0.11 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ckk h ARG 86 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1ckk h ARG 86 CO 0.02 0.25 -0.02 0.93 -1.51 0.00 0.00 179.97 179.64 1ckk h GLU 87 N 0.39 -0.06 -1.01 0.20 5.08 -1.28 0.46 114.58 118.36 1ckk h GLU 87 Ca 0.15 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 1ckk h GLU 87 Cb 0.04 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 1ckk h GLU 87 CO -0.09 0.31 0.65 0.00 -1.00 0.00 0.00 179.01 178.87 1ckk h ALA 88 N 0.47 1.44 -0.60 3.43 0.00 0.41 0.21 119.26 124.63 1ckk h ALA 88 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ckk h ALA 88 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ckk h ALA 88 CO 0.01 0.37 -0.02 0.35 0.00 0.00 0.00 179.25 179.96 1ckk h PHE 89 N 1.12 1.17 -0.47 0.00 3.04 0.26 -2.62 116.94 119.44 1ckk h PHE 89 Ca 0.46 -0.21 0.02 0.00 3.98 0.00 0.00 57.97 62.22 1ckk h PHE 89 Cb 0.28 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1ckk h PHE 89 CO -0.00 1.04 0.28 -0.09 -2.02 0.00 0.00 178.31 177.52 1ckk h ARG 90 N 0.97 0.55 -0.72 1.11 2.43 0.25 0.38 114.38 119.34 1ckk h ARG 90 Ca 0.17 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.46 1ckk h ARG 90 Cb 0.59 -0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.90 1ckk h ARG 90 CO 0.04 0.36 0.10 0.28 -1.51 0.00 0.00 179.97 179.23 1ckk h VAL 91 N 0.56 0.45 -0.05 0.20 2.07 -0.35 0.78 116.25 119.91 1ckk h VAL 91 Ca 0.19 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.51 1ckk h VAL 91 Cb 0.01 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1ckk h VAL 91 CO -0.09 0.03 -0.58 -0.26 0.02 0.00 0.00 177.57 176.70 1ckk h PHE 92 N 0.19 0.21 -2.47 1.57 -1.00 -0.99 -3.27 116.94 111.17 1ckk h PHE 92 Ca 0.40 -0.08 -0.80 0.00 2.81 0.00 0.00 57.97 60.31 1ckk h PHE 92 Cb 0.70 -0.04 -0.28 0.00 3.61 0.00 0.00 35.95 39.94 1ckk h PHE 92 CO -0.33 0.70 0.86 -3.47 -1.61 0.00 0.00 178.31 174.46 1ckk n ASP 93 N -3.88 6.88 0.18 2.17 -0.08 0.26 -4.56 116.55 117.52 1ckk n ASP 93 Ca -0.02 -3.60 0.18 0.00 -1.51 0.00 0.00 54.79 49.85 1ckk n ASP 93 Cb 0.59 -1.17 0.81 0.00 2.34 0.00 0.00 41.12 43.69 1ckk n ASP 93 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ckk h LYS 94 N 4.55 0.00 0.17 -0.67 2.10 -1.44 -1.79 116.57 119.50 1ckk h LYS 94 Ca 0.41 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.71 1ckk h LYS 94 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1ckk h LYS 94 CO 1.21 0.00 -1.78 0.38 -2.00 0.00 0.00 179.45 177.26 1ckk h ASP 95 N 0.00 0.56 -1.44 7.07 2.03 -1.87 -3.49 116.42 119.28 1ckk h ASP 95 Ca 0.12 -0.94 0.00 0.00 -0.73 0.00 0.00 57.03 55.48 1ckk h ASP 95 Cb 0.68 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1ckk h ASP 95 CO -0.00 1.80 0.00 0.61 -1.03 0.00 0.00 179.24 180.61 1ckk n GLY 96 N 1.88 0.48 0.07 7.15 0.00 -0.67 -5.00 105.19 109.10 1ckk n GLY 96 Ca -0.26 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.42 1ckk n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 97 N -0.72 0.33 0.00 1.61 6.94 -1.26 -4.97 115.26 117.19 1ckk n ASN 97 Ca 0.00 0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 1ckk n ASN 97 Cb 0.35 1.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.78 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 1.45 1.33 3.06 4.83 0.00 -1.26 -5.10 105.19 109.50 1ckk n GLY 98 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 0.62 -0.15 1.61 2.02 -1.26 -3.27 117.35 114.92 1ckk s TYR 99 Ca 0.00 -0.59 -0.06 0.00 -0.37 0.00 0.00 57.07 56.05 1ckk s TYR 99 Cb 0.00 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 1ckk s TYR 99 CO 0.00 -0.13 0.07 0.42 -1.57 0.00 0.00 175.55 174.34 1ckk s ILE 100 N -1.82 4.88 -0.09 2.71 1.01 0.38 -4.86 121.20 123.41 1ckk s ILE 100 Ca -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.57 1ckk s ILE 100 Cb -0.07 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1ckk s ILE 100 CO -0.01 0.52 -0.10 -0.55 0.00 0.00 0.00 174.94 174.80 1ckk s SER 101 N -0.17 4.34 0.58 3.58 0.15 -1.26 -2.35 113.70 118.57 1ckk s SER 101 Ca 0.08 -0.15 0.34 0.00 0.70 0.00 0.00 55.95 56.92 1ckk s SER 101 Cb -0.12 -1.24 1.31 0.00 -1.71 0.00 0.00 66.02 64.26 1ckk s SER 101 CO 0.01 0.29 1.54 0.00 1.20 0.00 0.00 173.24 176.29 1ckk h ALA 102 N 5.78 3.08 0.81 5.45 0.00 -1.93 0.11 119.26 132.55 1ckk h ALA 102 Ca -0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1ckk h ALA 102 Cb 1.18 0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ckk h ALA 102 CO 0.54 -1.70 -0.39 0.00 0.00 0.00 0.00 179.25 177.70 1ckk h ALA 103 N 0.93 -1.09 -1.02 0.00 0.00 -1.98 -2.59 119.26 113.51 1ckk h ALA 103 Ca 0.56 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 55.49 1ckk h ALA 103 Cb 2.74 0.42 -0.12 0.00 0.00 0.00 0.00 17.79 20.83 1ckk h ALA 103 CO -0.01 -1.03 0.62 0.93 0.00 0.00 0.00 179.25 179.77 1ckk h GLU 104 N -1.27 0.48 -0.05 0.00 5.08 -1.07 0.14 114.58 117.90 1ckk h GLU 104 Ca -0.11 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1ckk h GLU 104 Cb 0.84 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1ckk h GLU 104 CO 0.18 0.32 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.26 1ckk h LEU 105 N 0.50 -0.55 -0.66 1.33 3.38 -1.26 -1.36 115.31 116.69 1ckk h LEU 105 Ca 0.64 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.84 1ckk h LEU 105 Cb 1.38 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 1ckk h LEU 105 CO -0.43 -0.24 0.01 -0.09 0.09 0.00 0.00 178.44 177.77 1ckk h ARG 106 N -0.27 0.12 -0.13 1.13 2.43 -0.34 1.51 114.38 118.82 1ckk h ARG 106 Ca 0.07 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1ckk h ARG 106 Cb 0.37 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1ckk h ARG 106 CO -0.21 0.08 -0.23 0.45 -1.51 0.00 0.00 179.97 178.54 1ckk h HIS 107 N 0.12 -0.62 -0.61 2.20 3.86 -0.99 0.16 115.15 119.27 1ckk h HIS 107 Ca 0.35 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.53 1ckk h HIS 107 Cb 0.57 0.29 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1ckk h HIS 107 CO -0.38 -0.31 0.15 0.28 0.86 0.00 0.00 177.93 178.53 1ckk h VAL 108 N -0.29 1.25 -0.49 2.45 2.07 -0.06 0.36 116.25 121.54 1ckk h VAL 108 Ca 0.10 -0.90 0.09 0.00 0.82 0.00 0.00 66.70 66.82 1ckk h VAL 108 Cb 0.45 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1ckk h VAL 108 CO -0.30 0.34 -0.01 -0.03 0.02 0.00 0.00 177.57 177.58 1ckk h MET 109 N 0.88 0.10 0.05 1.57 -1.53 0.33 0.49 114.93 116.82 1ckk h MET 109 Ca 0.19 -0.01 -0.24 0.00 -3.44 0.00 0.00 59.70 56.21 1ckk h MET 109 Cb 0.34 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.36 1ckk h MET 109 CO 0.00 0.07 -1.10 1.79 0.14 0.00 0.00 176.91 177.81 1ckk h THR 110 N 0.10 1.62 0.00 -0.77 1.35 -0.49 -2.07 112.91 112.65 1ckk h THR 110 Ca 0.24 -3.24 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 1ckk h THR 110 Cb 0.37 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1ckk h THR 110 CO -0.41 0.94 0.00 0.59 -0.25 0.00 0.00 175.52 176.38 1ckk n ASN 111 N -3.44 0.75 -0.14 5.36 4.13 0.13 -3.63 115.26 118.41 1ckk n ASN 111 Ca -0.04 0.65 -0.28 0.00 1.68 0.00 0.00 54.58 56.59 1ckk n ASN 111 Cb 0.97 -0.82 -0.10 0.00 -1.54 0.00 0.00 39.78 38.29 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 -2.28 2.07 0.00 3.41 4.77 0.16 -4.54 117.00 120.59 1ckk n LEU 112 Ca 0.03 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1ckk n LEU 112 Cb 0.29 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1ckk n LEU 112 CO 0.23 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1ckk n GLY 113 N 1.37 1.49 3.85 -0.72 0.00 -0.82 -4.95 105.19 105.41 1ckk n GLY 113 Ca -0.53 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 3.79 -0.35 1.61 2.56 -0.97 -4.91 118.70 120.42 1ckk s GLU 114 Ca 0.00 0.89 0.15 0.00 0.00 0.00 0.00 54.97 56.01 1ckk s GLU 114 Cb 0.00 -2.11 0.43 0.00 2.00 0.00 0.00 34.13 34.46 1ckk s GLU 114 CO 0.00 -0.41 0.93 0.36 -0.56 0.00 0.00 175.26 175.59 1ckk n LYS 115 N -2.04 1.43 -0.94 4.30 2.85 -1.26 -3.54 118.16 118.97 1ckk n LYS 115 Ca 0.06 -3.46 -0.31 0.00 -1.05 0.00 0.00 58.31 53.56 1ckk n LYS 115 Cb 0.54 -1.46 0.02 0.00 -0.65 0.00 0.00 35.03 33.48 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckk n LEU 116 N -0.06 -3.73 0.00 -5.58 4.32 -1.26 -4.89 117.00 105.80 1ckk n LEU 116 Ca 0.16 0.39 0.00 0.00 -0.02 0.00 0.00 56.01 56.53 1ckk n LEU 116 Cb 0.77 -0.66 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1ckk n LEU 116 CO 0.27 -4.30 0.00 0.41 -1.22 0.00 0.00 177.39 172.55 1ckk n THR 117 N -1.54 0.00 -0.02 -5.08 -1.04 -1.26 -4.88 114.28 100.46 1ckk n THR 117 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.02 1ckk n THR 117 Cb 0.41 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.91 1ckk n THR 117 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ckk n ASP 118 N -2.64 0.52 -0.35 8.00 -0.08 -1.26 -3.75 116.55 116.99 1ckk n ASP 118 Ca 0.00 0.12 0.25 0.00 -1.51 0.00 0.00 54.79 53.65 1ckk n ASP 118 Cb 0.00 -0.57 0.52 0.00 2.34 0.00 0.00 41.12 43.41 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ckk h GLU 119 N -0.27 0.33 0.41 -0.67 4.81 -2.00 0.13 114.58 117.32 1ckk h GLU 119 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1ckk h GLU 119 Cb 0.26 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ckk h GLU 119 CO 0.00 0.22 -0.20 0.93 -0.73 0.00 0.00 179.01 179.23 1ckk h GLU 120 N 0.34 -0.53 -0.69 1.92 5.08 -1.96 0.14 114.58 118.88 1ckk h GLU 120 Ca 0.66 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 59.20 1ckk h GLU 120 Cb 1.71 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.95 1ckk h GLU 120 CO -0.37 -0.28 -0.07 0.28 -1.00 0.00 0.00 179.01 177.57 1ckk h VAL 121 N -0.69 0.36 0.04 3.13 2.07 -0.87 0.60 116.25 120.89 1ckk h VAL 121 Ca -0.06 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ckk h VAL 121 Cb 0.50 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ckk h VAL 121 CO 0.09 0.01 -0.02 -0.78 0.02 0.00 0.00 177.57 176.89 1ckk h ASP 122 N 0.06 -0.04 -0.23 0.57 3.58 -1.10 -1.82 116.42 117.44 1ckk h ASP 122 Ca 0.35 -0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.79 1ckk h ASP 122 Cb 0.58 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 1ckk h ASP 122 CO -0.65 0.02 0.15 -0.08 -2.88 0.00 0.00 179.24 175.80 1ckk h GLU 123 N -0.10 0.18 0.01 0.28 4.57 0.95 -2.02 114.58 118.45 1ckk h GLU 123 Ca -0.01 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1ckk h GLU 123 Cb 0.09 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1ckk h GLU 123 CO 0.01 0.12 -0.08 1.98 -1.18 0.00 0.00 179.01 179.85 1ckk h MET 124 N 0.18 -0.14 0.00 1.92 4.05 0.98 -1.49 114.93 120.43 1ckk h MET 124 Ca 0.10 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1ckk h MET 124 Cb 0.16 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1ckk h MET 124 CO -0.02 -0.10 -0.19 0.82 0.23 0.00 0.00 176.91 177.65 1ckk h ILE 125 N -0.15 0.58 -0.50 1.77 5.03 -1.16 -2.89 117.51 120.19 1ckk h ILE 125 Ca 0.03 -0.91 -0.08 0.00 -0.12 0.00 0.00 64.86 63.78 1ckk h ILE 125 Cb 0.18 1.60 -0.02 0.00 -3.03 0.00 0.00 36.82 35.56 1ckk h ILE 125 CO -0.07 0.19 0.01 -0.09 -0.68 0.00 0.00 178.15 177.51 1ckk h ARG 126 N 0.00 0.87 0.00 2.37 2.43 -0.61 -0.94 114.38 118.50 1ckk h ARG 126 Ca -0.00 -0.27 -0.11 0.00 -0.81 0.00 0.00 59.98 58.78 1ckk h ARG 126 Cb 0.59 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1ckk h ARG 126 CO 0.03 0.90 -0.54 1.49 -1.51 0.00 0.00 179.97 180.33 1ckk h GLU 127 N 0.73 0.00 0.00 0.20 4.81 -1.19 -2.78 114.58 116.36 1ckk h GLU 127 Ca 0.14 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1ckk h GLU 127 Cb 0.50 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1ckk h GLU 127 CO 0.02 0.54 -0.04 0.00 -0.73 0.00 0.00 179.01 178.81 1ckk h ALA 128 N 1.46 0.98 0.00 2.92 0.00 -1.30 -3.38 119.26 119.93 1ckk h ALA 128 Ca -0.01 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1ckk h ALA 128 Cb 0.99 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.81 1ckk h ALA 128 CO 0.07 0.05 2.35 -0.25 0.00 0.00 0.00 179.25 181.48 1ckk n ASP 129 N -3.11 2.93 -0.09 0.00 8.00 -0.38 -4.65 116.55 119.24 1ckk n ASP 129 Ca 0.03 -2.61 0.20 0.00 0.71 0.00 0.00 54.79 53.12 1ckk n ASP 129 Cb 0.52 -1.11 0.63 0.00 -0.02 0.00 0.00 41.12 41.13 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 4.28 0.73 0.03 0.53 2.04 -1.84 -1.26 117.51 122.02 1ckk h ILE 130 Ca 0.43 -0.05 -0.30 0.00 1.00 0.00 0.00 64.86 65.94 1ckk h ILE 130 Cb 0.57 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1ckk h ILE 130 CO 1.87 0.03 -1.72 -2.24 0.00 0.00 0.00 178.15 176.08 1ckk h ASP 131 N 0.15 0.09 -1.83 1.72 2.03 -1.97 -3.50 116.42 113.11 1ckk h ASP 131 Ca 0.32 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1ckk h ASP 131 Cb 1.05 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1ckk h ASP 131 CO -0.05 1.17 0.00 0.61 -1.03 0.00 0.00 179.24 179.94 1ckk n GLY 132 N 1.63 -1.74 0.00 7.15 0.00 -0.48 -5.07 105.19 106.68 1ckk n GLY 132 Ca -0.19 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.61 1ckk n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckk n ASP 133 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.21 -0.18 3.83 6.12 0.00 -1.26 -5.12 105.19 108.79 1ckk n GLY 134 Ca 0.00 0.00 -0.06 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 1.67 -0.02 1.61 -2.07 -1.26 -4.87 119.66 114.72 1ckk s GLN 135 Ca 0.00 -0.92 -0.14 0.00 -1.82 0.00 0.00 55.36 52.48 1ckk s GLN 135 Cb 0.00 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.44 1ckk s GLN 135 CO 0.00 -0.76 0.39 0.08 -1.32 0.00 0.00 175.29 173.68 1ckk s VAL 136 N -3.80 5.08 0.57 3.63 1.01 -0.99 -4.74 120.40 121.17 1ckk s VAL 136 Ca 0.11 0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.97 1ckk s VAL 136 Cb -0.05 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1ckk s VAL 136 CO 0.06 0.56 0.71 0.21 0.00 0.00 0.00 175.10 176.64 1ckk s ASN 137 N -0.94 4.97 0.00 3.32 2.47 -1.26 0.14 114.94 123.64 1ckk s ASN 137 Ca 0.23 -0.97 -0.04 0.00 0.42 0.00 0.00 52.86 52.50 1ckk s ASN 137 Cb -0.16 0.37 -0.02 0.00 -1.45 0.00 0.00 41.25 39.99 1ckk s ASN 137 CO 0.12 -1.31 0.70 0.22 -3.72 0.00 0.00 177.10 173.11 1ckk h TYR 138 N 0.30 -0.14 -1.78 0.43 3.20 -1.96 -2.25 116.97 114.77 1ckk h TYR 138 Ca -0.31 -0.00 0.52 0.00 3.14 0.00 0.00 58.73 62.07 1ckk h TYR 138 Cb 1.29 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.54 1ckk h TYR 138 CO 0.57 -0.09 1.34 1.05 -1.64 0.00 0.00 178.16 179.40 1ckk h GLU 139 N -0.22 0.00 0.39 1.82 4.11 -1.97 0.27 114.58 118.98 1ckk h GLU 139 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1ckk h GLU 139 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ckk h GLU 139 CO 0.03 0.00 -0.19 0.93 0.07 0.00 0.00 179.01 179.85 1ckk h GLU 140 N 0.00 -0.51 -1.58 1.06 5.08 -1.93 2.15 114.58 118.86 1ckk h GLU 140 Ca 0.84 0.03 0.46 0.00 -1.00 0.00 0.00 59.36 59.70 1ckk h GLU 140 Cb 3.52 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 32.83 1ckk h GLU 140 CO -0.01 -0.29 1.22 0.35 -1.00 0.00 0.00 179.01 179.28 1ckk h PHE 141 N -1.11 0.00 0.00 4.33 3.04 0.14 0.16 116.94 123.51 1ckk h PHE 141 Ca -0.05 0.00 -0.39 0.00 3.98 0.00 0.00 57.97 61.50 1ckk h PHE 141 Cb 0.45 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.89 1ckk h PHE 141 CO 0.01 0.00 -2.47 0.28 -2.02 0.00 0.00 178.31 174.11 1ckk n VAL 142 N -3.87 1.50 0.20 1.41 0.31 -0.97 -4.10 118.33 112.82 1ckk n VAL 142 Ca 0.35 -0.57 0.08 0.00 -0.01 0.00 0.00 64.34 64.19 1ckk n VAL 142 Cb 1.71 -1.44 0.37 0.00 -0.91 0.00 0.00 33.84 33.57 1ckk n VAL 142 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ckk n GLN 143 N -3.29 0.09 0.02 5.55 7.27 0.73 -0.95 117.38 126.80 1ckk n GLN 143 Ca -0.46 0.51 0.08 0.00 0.07 0.00 0.00 57.00 57.20 1ckk n GLN 143 Cb 0.99 -1.75 -0.10 0.00 2.41 0.00 0.00 30.24 31.78 1ckk n GLN 143 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1ckk n MET 144 N -1.94 0.64 -0.00 3.69 2.81 -0.06 -2.86 117.12 119.39 1ckk n MET 144 Ca 0.00 -0.02 0.10 0.00 -1.81 0.00 0.00 57.70 55.97 1ckk n MET 144 Cb 0.08 -1.66 -0.13 0.00 -0.71 0.00 0.00 33.22 30.80 1ckk n MET 144 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1ckk n MET 145 N -2.52 0.42 0.02 0.03 2.81 -0.52 -4.73 117.12 112.62 1ckk n MET 145 Ca -0.06 -0.06 -0.01 0.00 -1.81 0.00 0.00 57.70 55.75 1ckk n MET 145 Cb 0.66 -1.47 -0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1ckk n MET 145 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ckk n THR 146 N -1.73 0.63 -0.42 2.03 -2.24 -0.13 -4.77 114.28 107.64 1ckk n THR 146 Ca 0.01 0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1ckk n THR 146 Cb 0.39 -1.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.03 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 -3.29 3.16 -0.40 6.98 0.00 -1.14 -5.06 120.51 120.77 1ckk n ALA 147 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1ckk n ALA 147 Cb 0.29 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.07 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67