#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk h ASP 2 N 0.00 0.09 -2.68 0.00 2.03 -2.13 -3.37 116.42 110.35 1ckk h ASP 2 Ca 0.00 0.03 -0.66 0.00 -0.73 0.00 0.00 57.03 55.67 1ckk h ASP 2 Cb 0.00 0.03 -0.07 0.00 -0.83 0.00 0.00 39.33 38.45 1ckk h ASP 2 CO 0.00 -0.03 -0.48 -1.58 -1.03 0.00 0.00 179.24 176.13 1ckk s GLN 3 N -5.03 3.49 0.52 4.15 0.74 -1.26 -5.08 119.66 117.19 1ckk s GLN 3 Ca -0.06 -0.13 -0.20 0.00 0.05 0.00 0.00 55.36 55.02 1ckk s GLN 3 Cb 0.26 -3.20 -0.07 0.00 1.10 0.00 0.00 33.01 31.10 1ckk s GLN 3 CO 0.84 0.75 1.11 -0.51 -0.55 0.00 0.00 175.29 176.93 1ckk s LEU 4 N -0.95 3.80 0.26 3.68 2.01 -1.26 -4.94 118.68 121.29 1ckk s LEU 4 Ca 0.15 2.13 -0.31 0.00 0.01 0.00 0.00 54.13 56.11 1ckk s LEU 4 Cb -0.12 -4.54 -0.13 0.00 0.01 0.00 0.00 46.19 41.41 1ckk s LEU 4 CO 0.04 -1.08 1.43 1.07 1.01 0.00 0.00 176.35 178.81 1ckk n THR 5 N -1.13 1.10 -0.10 5.49 5.66 -1.26 -4.93 114.28 119.12 1ckk n THR 5 Ca 0.11 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.70 1ckk n THR 5 Cb 0.51 -1.58 -0.04 0.00 -1.55 0.00 0.00 70.33 67.67 1ckk n THR 5 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ckk n GLU 6 N 1.85 0.54 -0.13 1.09 4.07 -1.26 -4.10 120.64 122.70 1ckk n GLU 6 Ca 0.10 0.25 -0.06 0.00 -0.06 0.00 0.00 57.16 57.39 1ckk n GLU 6 Cb 0.33 -1.46 -0.05 0.00 -0.06 0.00 0.00 31.44 30.20 1ckk n GLU 6 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1ckk h GLU 7 N -1.00 -0.09 -0.51 5.31 4.81 -1.97 1.99 114.58 123.12 1ckk h GLU 7 Ca -0.13 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1ckk h GLU 7 Cb 1.08 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 1ckk h GLU 7 CO -0.08 -0.06 -0.51 1.96 -0.73 0.00 0.00 179.01 179.60 1ckk h GLN 8 N -0.09 -0.25 -0.16 1.92 1.08 -1.99 0.21 115.11 115.83 1ckk h GLN 8 Ca 0.05 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ckk h GLN 8 Cb 0.23 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1ckk h GLN 8 CO -0.36 -0.16 0.07 0.82 -0.95 0.00 0.00 178.83 178.24 1ckk h ILE 9 N -0.25 0.98 -0.77 2.54 2.04 -1.47 -2.32 117.51 118.26 1ckk h ILE 9 Ca 0.09 -0.05 0.17 0.00 1.00 0.00 0.00 64.86 66.07 1ckk h ILE 9 Cb 0.48 0.82 -0.12 0.00 -0.74 0.00 0.00 36.82 37.27 1ckk h ILE 9 CO -0.62 0.03 0.20 0.00 0.00 0.00 0.00 178.15 177.76 1ckk h ALA 10 N 1.09 1.02 0.46 1.87 0.00 0.45 0.53 119.26 124.68 1ckk h ALA 10 Ca 0.06 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ckk h ALA 10 Cb 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ckk h ALA 10 CO -0.05 -0.35 -0.35 1.49 0.00 0.00 0.00 179.25 179.98 1ckk h GLU 11 N 0.27 -0.77 -0.73 0.00 4.81 -0.10 -0.68 114.58 117.38 1ckk h GLU 11 Ca 0.44 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.89 1ckk h GLU 11 Cb 0.78 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.29 1ckk h GLU 11 CO -0.53 -0.52 0.50 0.74 -0.73 0.00 0.00 179.01 178.46 1ckk h PHE 12 N -0.80 0.35 -0.51 0.92 0.04 -0.94 0.13 116.94 116.12 1ckk h PHE 12 Ca -0.05 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 1ckk h PHE 12 Cb 0.69 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1ckk h PHE 12 CO -0.15 0.13 0.15 -0.22 -0.60 0.00 0.00 178.31 177.61 1ckk h LYS 13 N 0.29 0.81 -0.36 1.51 3.64 0.28 -0.31 116.57 122.43 1ckk h LYS 13 Ca 0.36 -0.18 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1ckk h LYS 13 Cb 0.98 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 1ckk h LYS 13 CO -0.09 0.76 -0.05 0.93 -2.27 0.00 0.00 179.45 178.73 1ckk h GLU 14 N 0.70 0.04 0.15 1.90 5.08 0.68 0.90 114.58 124.04 1ckk h GLU 14 Ca 0.16 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1ckk h GLU 14 Cb 0.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ckk h GLU 14 CO -0.00 0.03 -0.07 0.00 -1.00 0.00 0.00 179.01 177.96 1ckk h ALA 15 N 1.34 -0.21 -0.95 3.43 0.00 -1.26 0.13 119.26 121.75 1ckk h ALA 15 Ca 0.18 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1ckk h ALA 15 Cb 0.26 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1ckk h ALA 15 CO -0.34 -0.49 0.58 0.35 0.00 0.00 0.00 179.25 179.35 1ckk h PHE 16 N -0.46 1.04 0.00 0.00 3.57 -0.57 0.23 116.94 120.76 1ckk h PHE 16 Ca -0.02 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 1ckk h PHE 16 Cb 0.36 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1ckk h PHE 16 CO 0.01 0.41 -0.34 1.03 -2.23 0.00 0.00 178.31 177.19 1ckk h SER 17 N 0.92 0.00 -0.82 0.41 0.87 0.10 -1.84 113.55 113.20 1ckk h SER 17 Ca 0.47 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.00 1ckk h SER 17 Cb 0.46 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1ckk h SER 17 CO -0.27 0.34 0.39 0.25 -0.53 0.00 0.00 176.83 177.02 1ckk h LEU 18 N 0.00 1.08 0.00 2.23 6.46 0.23 -2.82 115.31 122.49 1ckk h LEU 18 Ca -0.00 -0.13 -0.20 0.00 -0.12 0.00 0.00 57.88 57.43 1ckk h LEU 18 Cb 0.85 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 1ckk h LEU 18 CO 0.04 0.92 -1.23 -0.26 -0.62 0.00 0.00 178.44 177.29 1ckk h PHE 19 N 1.18 0.00 -2.81 1.25 0.04 -1.31 -3.42 116.94 111.86 1ckk h PHE 19 Ca 0.28 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.38 1ckk h PHE 19 Cb 0.13 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.10 1ckk h PHE 19 CO 0.02 0.77 0.28 0.34 -0.60 0.00 0.00 178.31 179.11 1ckk s ASP 20 N -6.19 6.18 0.00 2.17 -1.08 -0.71 -4.35 116.67 112.69 1ckk s ASP 20 Ca -0.01 -1.26 0.00 0.00 -0.52 0.00 0.00 52.55 50.76 1ckk s ASP 20 Cb 0.09 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1ckk s ASP 20 CO 0.80 -1.24 0.87 0.29 0.52 0.00 0.00 175.17 176.42 1ckk n LYS 21 N 6.86 0.00 0.27 4.34 4.01 -1.26 -2.45 118.16 129.92 1ckk n LYS 21 Ca -0.07 0.48 0.16 0.00 -0.51 0.00 0.00 58.31 58.37 1ckk n LYS 21 Cb 0.44 -1.43 0.77 0.00 -0.51 0.00 0.00 35.03 34.30 1ckk n LYS 21 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 1ckk h ASP 22 N 0.00 0.00 -3.87 4.39 2.03 -1.93 -3.44 116.42 113.59 1ckk h ASP 22 Ca 0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 1ckk h ASP 22 Cb 0.00 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 38.57 1ckk h ASP 22 CO 0.00 0.00 -0.47 0.61 -1.03 0.00 0.00 179.24 178.35 1ckk n GLY 23 N -1.31 -0.17 0.12 7.15 0.00 -1.03 -4.91 105.19 105.04 1ckk n GLY 23 Ca 0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.43 0.56 0.00 1.61 2.03 -1.86 -3.48 116.42 113.85 1ckk h ASP 24 Ca -0.40 -0.60 0.00 0.00 -0.73 0.00 0.00 57.03 55.30 1ckk h ASP 24 Cb 1.27 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.59 1ckk h ASP 24 CO 0.41 1.47 0.00 0.61 -1.03 0.00 0.00 179.24 180.70 1ckk n GLY 25 N 1.59 1.15 3.53 7.15 0.00 -1.26 -5.07 105.19 112.28 1ckk n GLY 25 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 1ckk n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 26 N -1.15 -0.29 -0.25 2.61 -4.23 -1.24 -4.16 115.64 106.93 1ckk s THR 26 Ca 0.00 0.04 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 1ckk s THR 26 Cb 0.00 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 1ckk s THR 26 CO 0.00 0.01 0.28 -0.63 -0.54 0.00 0.00 174.62 173.75 1ckk s ILE 27 N 1.97 5.26 0.71 2.99 1.01 0.34 -4.81 121.20 128.66 1ckk s ILE 27 Ca -0.08 0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1ckk s ILE 27 Cb -0.08 -3.61 0.11 0.00 0.01 0.00 0.00 42.46 38.89 1ckk s ILE 27 CO -0.18 0.24 0.99 0.42 0.00 0.00 0.00 174.94 176.42 1ckk s THR 28 N 1.62 2.22 0.31 2.92 -4.23 -1.26 -2.60 115.64 114.61 1ckk s THR 28 Ca 0.12 -0.52 0.14 0.00 -1.18 0.00 0.00 61.69 60.25 1ckk s THR 28 Cb -0.15 -2.69 0.08 0.00 1.34 0.00 0.00 72.50 71.07 1ckk s THR 28 CO 0.09 0.00 1.76 0.71 -0.54 0.00 0.00 174.62 176.64 1ckk h THR 29 N -0.54 1.20 0.01 3.99 1.35 -1.98 -3.08 112.91 113.86 1ckk h THR 29 Ca -0.39 -1.52 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 1ckk h THR 29 Cb 1.27 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.54 1ckk h THR 29 CO 0.44 0.42 -0.01 0.11 -0.25 0.00 0.00 175.52 176.23 1ckk h LYS 30 N 0.00 -0.01 -0.04 4.72 1.79 -1.97 -1.93 116.57 119.12 1ckk h LYS 30 Ca -0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1ckk h LYS 30 Cb 0.81 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1ckk h LYS 30 CO 0.06 0.78 -0.14 0.93 -1.08 0.00 0.00 179.45 179.99 1ckk h GLU 31 N -0.87 -0.14 -0.72 3.15 5.08 -1.89 0.35 114.58 119.54 1ckk h GLU 31 Ca -0.00 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1ckk h GLU 31 Cb 0.80 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 1ckk h GLU 31 CO 0.00 -0.09 0.39 1.25 -1.00 0.00 0.00 179.01 179.56 1ckk h LEU 32 N -0.14 0.55 -0.94 1.33 5.85 -1.70 -0.50 115.31 119.76 1ckk h LEU 32 Ca 0.01 0.05 0.24 0.00 0.84 0.00 0.00 57.88 59.02 1ckk h LEU 32 Cb 0.17 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.02 1ckk h LEU 32 CO -0.12 0.33 0.46 1.23 -0.34 0.00 0.00 178.44 180.00 1ckk h GLY 33 N 0.68 1.70 0.71 3.75 0.00 -0.48 0.14 103.07 109.57 1ckk h GLY 33 Ca 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1ckk h GLY 33 CO -0.23 -0.30 -0.17 -0.84 0.00 0.00 0.00 176.54 175.00 1ckk h THR 34 N 0.42 0.64 -1.01 4.70 2.02 0.72 -2.32 112.91 118.07 1ckk h THR 34 Ca 0.61 -0.51 0.24 0.00 0.77 0.00 0.00 66.41 67.52 1ckk h THR 34 Cb 1.20 0.88 -0.11 0.00 -1.74 0.00 0.00 68.15 68.38 1ckk h THR 34 CO -0.54 0.09 0.62 0.58 0.37 0.00 0.00 175.52 176.64 1ckk h VAL 35 N -0.77 0.58 -0.28 3.16 2.07 -0.80 0.18 116.25 120.39 1ckk h VAL 35 Ca -0.05 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ckk h VAL 35 Cb 0.51 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ckk h VAL 35 CO 0.08 0.11 0.12 0.24 0.02 0.00 0.00 177.57 178.14 1ckk h MET 36 N 0.58 0.41 -0.59 1.57 2.86 -0.85 -1.33 114.93 117.58 1ckk h MET 36 Ca 0.61 -0.07 0.17 0.00 -2.06 0.00 0.00 59.70 58.36 1ckk h MET 36 Cb 1.21 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1ckk h MET 36 CO -0.40 0.41 0.54 -0.09 1.06 0.00 0.00 176.91 178.43 1ckk h ARG 37 N 0.31 0.00 0.01 1.72 2.43 0.25 -0.97 114.38 118.12 1ckk h ARG 37 Ca 0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ckk h ARG 37 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1ckk h ARG 37 CO -0.01 0.00 -0.00 1.03 -1.51 0.00 0.00 179.97 179.48 1ckk h SER 38 N 0.00 -0.01 -0.60 -3.80 0.87 -0.82 -3.09 113.55 106.11 1ckk h SER 38 Ca 0.28 -0.48 0.15 0.00 -1.23 0.00 0.00 61.79 60.52 1ckk h SER 38 Cb 1.36 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 1ckk h SER 38 CO -0.00 0.48 0.42 -0.07 -0.53 0.00 0.00 176.83 177.12 1ckk h LEU 39 N -0.49 0.10 0.00 2.23 3.38 -1.08 -3.44 115.31 116.01 1ckk h LEU 39 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ckk h LEU 39 Cb 0.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ckk h LEU 39 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1ckk n GLY 40 N -1.61 -0.50 3.25 0.83 0.00 -1.15 -5.07 105.19 100.94 1ckk n GLY 40 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1ckk n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 41 N 0.00 1.05 -0.35 1.61 1.11 -1.19 -5.01 119.66 116.88 1ckk s GLN 41 Ca 0.00 -1.38 0.03 0.00 0.01 0.00 0.00 55.36 54.02 1ckk s GLN 41 Cb 0.00 -0.73 0.10 0.00 -1.01 0.00 0.00 33.01 31.37 1ckk s GLN 41 CO 0.00 0.11 0.09 1.21 0.01 0.00 0.00 175.29 176.71 1ckk s ASN 42 N -2.92 4.52 -0.30 5.90 3.84 -1.26 -1.69 114.94 123.02 1ckk s ASN 42 Ca 0.14 -2.13 -0.29 0.00 0.21 0.00 0.00 52.86 50.79 1ckk s ASN 42 Cb -0.00 -1.43 -0.01 0.00 -0.55 0.00 0.00 41.25 39.26 1ckk s ASN 42 CO 0.02 -0.37 1.54 -2.16 -2.79 0.00 0.00 177.10 173.33 1ckk s PRO 43 N 0.94 3.68 0.00 0.43 0.04 -1.26 -5.01 135.00 133.83 1ckk s PRO 43 Ca 0.12 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1ckk s PRO 43 Cb -0.19 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1ckk s PRO 43 CO -0.11 -1.43 0.00 -2.37 0.04 0.00 0.00 177.00 173.13 1ckk n THR 44 N 6.72 0.00 0.20 1.26 5.66 -1.26 -4.56 114.28 122.29 1ckk n THR 44 Ca 0.18 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.10 1ckk n THR 44 Cb 0.46 -0.42 -0.04 0.00 -1.55 0.00 0.00 70.33 68.78 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 -0.54 -0.72 1.09 4.81 -1.98 -1.93 114.58 115.30 1ckk h GLU 45 Ca 0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1ckk h GLU 45 Cb 0.00 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.38 1ckk h GLU 45 CO 0.00 -0.36 -0.41 0.00 -0.73 0.00 0.00 179.01 177.51 1ckk h ALA 46 N -1.24 -0.13 0.40 2.92 0.00 -1.99 -0.23 119.26 118.98 1ckk h ALA 46 Ca -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ckk h ALA 46 Cb 0.43 0.95 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1ckk h ALA 46 CO 0.09 -0.74 -0.40 0.93 0.00 0.00 0.00 179.25 179.13 1ckk h GLU 47 N -0.13 -0.79 -0.22 0.00 4.39 -1.91 -1.22 114.58 114.69 1ckk h GLU 47 Ca 0.24 0.05 0.03 0.00 0.34 0.00 0.00 59.36 60.02 1ckk h GLU 47 Cb 0.56 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 1ckk h GLU 47 CO -0.78 -0.53 -0.28 -0.07 -1.16 0.00 0.00 179.01 176.19 1ckk h LEU 48 N -0.82 -0.94 -1.80 1.33 3.38 -0.39 0.64 115.31 116.70 1ckk h LEU 48 Ca -0.03 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.21 1ckk h LEU 48 Cb 0.74 0.39 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1ckk h LEU 48 CO -0.07 -0.20 0.58 -0.61 0.09 0.00 0.00 178.44 178.24 1ckk h GLN 49 N -0.19 0.00 0.01 1.13 5.75 -1.01 0.27 115.11 121.07 1ckk h GLN 49 Ca 0.04 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.27 1ckk h GLN 49 Cb 0.29 0.00 0.02 0.00 1.07 0.00 0.00 27.48 28.86 1ckk h GLN 49 CO -0.31 0.00 -1.05 0.22 -2.65 0.00 0.00 178.83 175.04 1ckk h ASP 50 N 0.00 0.84 0.82 -0.69 1.82 0.15 -2.57 116.42 116.79 1ckk h ASP 50 Ca 0.24 -0.69 -0.24 0.00 -0.39 0.00 0.00 57.03 55.95 1ckk h ASP 50 Cb 1.40 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 41.14 1ckk h ASP 50 CO -0.00 1.49 -1.15 0.24 -1.61 0.00 0.00 179.24 178.21 1ckk h MET 51 N 0.35 0.11 -0.25 0.28 2.86 0.12 -3.30 114.93 115.11 1ckk h MET 51 Ca -0.13 -0.19 -0.15 0.00 -2.06 0.00 0.00 59.70 57.17 1ckk h MET 51 Cb 1.70 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.42 1ckk h MET 51 CO 0.20 1.07 -0.45 0.82 1.06 0.00 0.00 176.91 179.61 1ckk h ILE 52 N 0.03 1.30 0.09 -1.22 1.08 -0.83 -3.25 117.51 114.71 1ckk h ILE 52 Ca -0.08 -1.64 -0.00 0.00 -0.39 0.00 0.00 64.86 62.75 1ckk h ILE 52 Cb 1.87 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 37.20 1ckk h ILE 52 CO 0.16 0.52 -0.11 -1.13 -0.69 0.00 0.00 178.15 176.90 1ckk h ASN 53 N 0.51 -0.31 -1.00 1.72 -0.73 -1.53 0.66 115.58 114.91 1ckk h ASN 53 Ca 0.03 0.03 0.39 0.00 1.87 0.00 0.00 56.30 58.62 1ckk h ASN 53 Cb 0.98 0.10 -0.17 0.00 0.27 0.00 0.00 38.32 39.50 1ckk h ASN 53 CO 0.09 -0.14 0.52 -0.33 -0.37 0.00 0.00 177.43 177.20 1ckk h GLU 54 N -0.21 0.08 0.00 6.67 5.08 -1.67 2.09 114.58 126.61 1ckk h GLU 54 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 54 Cb 0.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1ckk h GLU 54 CO -0.02 0.05 -0.29 0.28 -1.00 0.00 0.00 179.01 178.03 1ckk h VAL 55 N 0.08 0.00 0.00 3.13 2.07 -1.45 -3.40 116.25 116.68 1ckk h VAL 55 Ca 0.81 -0.63 -0.49 0.00 0.82 0.00 0.00 66.70 67.21 1ckk h VAL 55 Cb 2.06 1.45 0.07 0.00 -1.52 0.00 0.00 31.29 33.35 1ckk h VAL 55 CO -0.74 0.00 1.89 -0.67 0.02 0.00 0.00 177.57 178.07 1ckk n ASP 56 N -2.41 2.12 -0.33 0.57 2.03 0.71 -4.67 116.55 114.57 1ckk n ASP 56 Ca 0.04 -2.46 0.19 0.00 0.52 0.00 0.00 54.79 53.07 1ckk n ASP 56 Cb 0.46 -0.84 0.37 0.00 -0.72 0.00 0.00 41.12 40.39 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckk h ALA 57 N 8.25 1.46 0.14 -1.67 0.00 -1.78 0.43 119.26 126.09 1ckk h ALA 57 Ca 0.33 0.29 -0.29 0.00 0.00 0.00 0.00 54.91 55.24 1ckk h ALA 57 Cb 0.49 0.45 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ckk h ALA 57 CO 1.76 -0.64 -1.31 -0.44 0.00 0.00 0.00 179.25 178.62 1ckk h ASP 58 N 0.07 0.48 0.00 0.00 3.32 -1.92 -3.48 116.42 114.89 1ckk h ASP 58 Ca 0.65 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ckk h ASP 58 Cb 1.46 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1ckk h ASP 58 CO -0.81 1.41 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 1ckk n GLY 59 N 1.57 1.29 0.10 2.75 0.00 0.15 -4.99 105.19 106.06 1ckk n GLY 59 Ca -0.10 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 0.76 0.84 0.00 1.61 0.23 -1.26 -4.99 115.26 112.44 1ckk n ASN 60 Ca 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 1ckk n ASN 60 Cb 0.16 0.21 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ckk n GLY 61 N 1.78 1.90 3.47 4.83 0.00 -1.26 -5.13 105.19 110.79 1ckk n GLY 61 Ca -0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 0.01 -0.23 2.61 -4.23 -1.26 -4.77 115.64 105.77 1ckk s THR 62 Ca 0.00 -0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.30 1ckk s THR 62 Cb 0.00 -0.90 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1ckk s THR 62 CO 0.00 -0.05 0.27 -0.63 -0.54 0.00 0.00 174.62 173.68 1ckk s ILE 63 N -0.84 5.28 0.41 2.99 -1.09 -1.07 -4.79 121.20 122.09 1ckk s ILE 63 Ca -0.09 0.42 0.08 0.00 -2.23 0.00 0.00 60.65 58.83 1ckk s ILE 63 Cb -0.02 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1ckk s ILE 63 CO 0.07 0.30 0.35 -1.81 -1.23 0.00 0.00 174.94 172.61 1ckk s ASP 64 N 1.09 4.97 0.14 3.58 1.01 -1.26 -0.51 116.67 125.69 1ckk s ASP 64 Ca 0.13 -0.78 -0.18 0.00 0.71 0.00 0.00 52.55 52.43 1ckk s ASP 64 Cb -0.14 -0.57 -0.01 0.00 1.01 0.00 0.00 42.92 43.21 1ckk s ASP 64 CO 0.06 -0.63 1.77 0.15 0.21 0.00 0.00 175.17 176.73 1ckk h PHE 65 N 1.09 0.25 -0.35 4.23 3.57 -1.98 -0.96 116.94 122.79 1ckk h PHE 65 Ca -0.42 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 60.98 1ckk h PHE 65 Cb 1.26 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1ckk h PHE 65 CO 0.53 0.14 -0.26 -1.00 -2.23 0.00 0.00 178.31 175.48 1ckk h PRO 66 N 0.29 0.71 -0.39 6.41 0.13 -1.96 -2.41 132.00 134.78 1ckk h PRO 66 Ca 0.11 -0.30 -0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1ckk h PRO 66 Cb 0.04 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1ckk h PRO 66 CO -0.08 0.90 0.21 1.49 -0.23 0.00 0.00 178.00 180.29 1ckk h GLU 67 N 0.62 0.53 0.12 0.86 4.81 -1.84 -1.46 114.58 118.23 1ckk h GLU 67 Ca 0.08 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1ckk h GLU 67 Cb 0.77 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1ckk h GLU 67 CO 0.06 0.39 -0.06 0.35 -0.73 0.00 0.00 179.01 179.03 1ckk h PHE 68 N 0.54 -0.15 0.00 0.92 3.57 -0.69 0.32 116.94 121.45 1ckk h PHE 68 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ckk h PHE 68 Cb 0.02 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1ckk h PHE 68 CO 0.00 0.07 0.00 -0.07 -2.23 0.00 0.00 178.31 176.08 1ckk h LEU 69 N -0.36 0.00 0.00 0.59 4.07 -1.22 -2.50 115.31 115.89 1ckk h LEU 69 Ca -0.02 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.71 1ckk h LEU 69 Cb 0.29 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1ckk h LEU 69 CO 0.03 0.00 -1.32 0.41 -1.08 0.00 0.00 178.44 176.48 1ckk n THR 70 N -2.32 1.53 0.26 0.22 -1.04 -0.55 -4.08 114.28 108.29 1ckk n THR 70 Ca -0.01 -0.04 0.17 0.00 -2.04 0.00 0.00 64.05 62.13 1ckk n THR 70 Cb 0.09 -2.06 0.89 0.00 -1.82 0.00 0.00 70.33 67.44 1ckk n THR 70 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ckk h MET 71 N -1.00 0.00 0.00 -2.82 -0.00 -0.22 0.22 114.93 111.11 1ckk h MET 71 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.35 1ckk h MET 71 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.87 1ckk h MET 71 CO -0.21 0.00 0.00 -1.33 -0.00 0.00 0.00 176.91 175.37 1ckk n MET 72 N -3.75 0.14 -0.00 -0.10 2.00 -0.96 -2.04 117.12 112.40 1ckk n MET 72 Ca -0.01 0.49 0.02 0.00 0.00 0.00 0.00 57.70 58.21 1ckk n MET 72 Cb 0.20 -1.83 -0.03 0.00 0.00 0.00 0.00 33.22 31.56 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 -1.72 2.43 0.02 3.04 0.00 0.73 -4.49 120.51 120.51 1ckk n ALA 73 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1ckk n ALA 73 Cb 0.13 -0.18 -0.12 0.00 0.00 0.00 0.00 19.45 19.29 1ckk n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ckk h ARG 74 N 0.00 0.00 0.00 0.00 2.43 -0.94 -3.28 114.38 112.59 1ckk h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ckk h ARG 74 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1ckk h ARG 74 CO 0.00 0.60 -0.03 1.17 -1.51 0.00 0.00 179.97 180.20 1ckk n LYS 75 N -3.11 0.23 -0.16 0.20 3.00 -0.87 -3.13 118.16 114.32 1ckk n LYS 75 Ca -0.10 0.18 0.12 0.00 -0.00 0.00 0.00 58.31 58.51 1ckk n LYS 75 Cb 0.97 -1.76 0.19 0.00 0.00 0.00 0.00 35.03 34.44 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1ckk n MET 76 N -2.15 2.48 0.00 1.64 2.81 -1.24 -4.14 117.12 116.52 1ckk n MET 76 Ca 0.06 -2.24 0.11 0.00 -1.81 0.00 0.00 57.70 53.82 1ckk n MET 76 Cb 0.42 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.48 1.64 -0.09 0.03 5.02 -1.18 -4.50 118.16 120.55 1ckk n LYS 77 Ca 0.18 -1.33 -0.15 0.00 -2.02 0.00 0.00 58.31 55.00 1ckk n LYS 77 Cb 0.61 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ckk n ASP 78 N 0.49 1.86 0.00 4.39 -0.08 -1.26 -5.09 116.55 116.87 1ckk n ASP 78 Ca 0.11 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1ckk n ASP 78 Cb 0.50 -0.88 0.00 0.00 2.34 0.00 0.00 41.12 43.08 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ckk n THR 79 N -4.48 0.00 -3.01 5.18 -2.24 -1.26 -5.08 114.28 103.39 1ckk n THR 79 Ca -0.23 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 1ckk n THR 79 Cb 0.53 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.77 1ckk n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ckk n ASP 80 N 0.00 -3.41 0.00 3.42 8.00 -1.26 -4.91 116.55 118.39 1ckk n ASP 80 Ca 0.00 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1ckk n ASP 80 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ckk n SER 81 N -0.65 0.00 -0.05 -2.24 7.64 -1.26 -4.47 113.62 112.59 1ckk n SER 81 Ca -0.14 0.25 0.09 0.00 1.01 0.00 0.00 58.87 60.09 1ckk n SER 81 Cb 0.46 -0.40 -0.10 0.00 -1.01 0.00 0.00 64.21 63.17 1ckk n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ckk n GLU 82 N -1.91 0.53 0.16 1.43 1.02 -1.26 -4.31 120.64 116.30 1ckk n GLU 82 Ca 0.00 -0.10 0.04 0.00 -0.02 0.00 0.00 57.16 57.07 1ckk n GLU 82 Cb 0.00 -1.44 0.18 0.00 -0.02 0.00 0.00 31.44 30.16 1ckk n GLU 82 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1ckk h GLU 83 N 0.25 0.00 -0.30 3.49 4.11 -1.97 -3.13 114.58 117.03 1ckk h GLU 83 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1ckk h GLU 83 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1ckk h GLU 83 CO 0.00 0.46 -0.38 1.05 0.07 0.00 0.00 179.01 180.20 1ckk h GLU 84 N 0.00 0.69 -0.36 1.06 4.11 -1.78 -2.95 114.58 115.35 1ckk h GLU 84 Ca -0.00 -0.35 -0.13 0.00 0.07 0.00 0.00 59.36 58.94 1ckk h GLU 84 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ckk h GLU 84 CO 0.06 0.96 -0.31 0.82 0.07 0.00 0.00 179.01 180.61 1ckk h ILE 85 N 0.57 1.28 -0.15 -1.06 2.04 -1.80 -1.99 117.51 116.41 1ckk h ILE 85 Ca 0.05 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.50 1ckk h ILE 85 Cb 0.91 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 1ckk h ILE 85 CO 0.08 0.48 0.15 -0.09 0.00 0.00 0.00 178.15 178.77 1ckk h ARG 86 N 0.66 0.00 0.29 2.37 2.43 -1.47 0.94 114.38 119.61 1ckk h ARG 86 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1ckk h ARG 86 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1ckk h ARG 86 CO 0.07 0.00 -0.14 0.93 -1.51 0.00 0.00 179.97 179.32 1ckk h GLU 87 N 0.00 -0.38 -0.29 0.20 5.08 -1.21 -2.23 114.58 115.75 1ckk h GLU 87 Ca 0.07 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1ckk h GLU 87 Cb 0.37 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ckk h GLU 87 CO -0.00 -0.15 0.22 0.00 -1.00 0.00 0.00 179.01 178.08 1ckk h ALA 88 N -0.90 2.20 -0.05 3.43 0.00 -1.25 -1.07 119.26 121.62 1ckk h ALA 88 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ckk h ALA 88 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ckk h ALA 88 CO 0.07 -0.37 0.01 0.35 0.00 0.00 0.00 179.25 179.31 1ckk h PHE 89 N 0.00 0.09 -0.85 0.00 3.04 -0.79 -2.03 116.94 116.40 1ckk h PHE 89 Ca 0.14 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.28 1ckk h PHE 89 Cb 0.57 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.01 1ckk h PHE 89 CO 0.00 0.29 0.57 -0.09 -2.02 0.00 0.00 178.31 177.07 1ckk h ARG 90 N -0.14 0.28 -0.07 1.11 2.43 -0.56 0.28 114.38 117.71 1ckk h ARG 90 Ca 0.02 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 1ckk h ARG 90 Cb 0.25 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1ckk h ARG 90 CO 0.00 0.18 -0.65 0.28 -1.51 0.00 0.00 179.97 178.27 1ckk h VAL 91 N 0.29 1.40 0.19 0.20 2.07 -1.09 -3.16 116.25 116.13 1ckk h VAL 91 Ca 0.43 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1ckk h VAL 91 Cb 1.23 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1ckk h VAL 91 CO -0.12 0.61 -0.09 -0.26 0.02 0.00 0.00 177.57 177.74 1ckk h PHE 92 N 0.20 -0.23 -0.47 1.57 0.04 0.17 -3.32 116.94 114.89 1ckk h PHE 92 Ca -0.01 -0.01 -0.45 0.00 2.80 0.00 0.00 57.97 60.30 1ckk h PHE 92 Cb 1.18 0.08 -0.09 0.00 2.20 0.00 0.00 35.95 39.32 1ckk h PHE 92 CO 0.03 0.03 1.06 -3.47 -0.60 0.00 0.00 178.31 175.36 1ckk n ASP 93 N -4.93 6.68 -0.15 2.17 2.03 -0.36 -4.51 116.55 117.48 1ckk n ASP 93 Ca -0.05 -2.80 0.28 0.00 0.52 0.00 0.00 54.79 52.74 1ckk n ASP 93 Cb 0.18 -1.39 0.64 0.00 -0.72 0.00 0.00 41.12 39.84 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ckk h LYS 94 N 3.62 0.00 -0.33 -0.67 1.57 -1.65 2.02 116.57 121.14 1ckk h LYS 94 Ca 0.46 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.15 1ckk h LYS 94 Cb 0.88 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1ckk h LYS 94 CO 0.90 0.00 -0.18 0.22 -0.57 0.00 0.00 179.45 179.82 1ckk h ASP 95 N 0.00 0.59 -3.04 0.86 3.58 -1.88 -3.47 116.42 113.06 1ckk h ASP 95 Ca 0.42 -0.18 -0.26 0.00 0.42 0.00 0.00 57.03 57.43 1ckk h ASP 95 Cb 2.17 -0.16 0.04 0.00 1.72 0.00 0.00 39.33 43.11 1ckk h ASP 95 CO -0.00 0.78 -0.39 0.61 -2.88 0.00 0.00 179.24 177.35 1ckk n GLY 96 N -0.45 -0.08 0.09 -0.78 0.00 0.69 -4.91 105.19 99.75 1ckk n GLY 96 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.97 0.72 0.00 1.61 6.94 -1.26 -4.94 115.26 117.36 1ckk n ASN 97 Ca -0.07 0.31 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1ckk n ASN 97 Cb 0.58 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 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 1.35 1.73 3.53 4.83 0.00 -1.26 -5.12 105.19 110.24 1ckk n GLY 98 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.94 -0.62 -0.15 1.61 2.02 -1.26 -4.33 117.35 112.70 1ckk s TYR 99 Ca 0.00 1.04 -0.04 0.00 -0.37 0.00 0.00 57.07 57.70 1ckk s TYR 99 Cb 0.00 0.42 -0.03 0.00 -0.40 0.00 0.00 41.96 41.95 1ckk s TYR 99 CO 0.00 -0.58 -0.02 0.42 -1.57 0.00 0.00 175.55 173.81 1ckk s ILE 100 N -1.24 4.10 0.05 2.71 1.01 0.16 -4.81 121.20 123.19 1ckk s ILE 100 Ca -0.09 -0.29 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1ckk s ILE 100 Cb -0.00 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 1ckk s ILE 100 CO 0.08 0.51 -0.16 -0.94 0.00 0.00 0.00 174.94 174.43 1ckk s SER 101 N 0.13 3.98 0.58 3.58 1.04 -1.26 -2.12 113.70 119.62 1ckk s SER 101 Ca 0.00 -0.40 0.41 0.00 0.48 0.00 0.00 55.95 56.44 1ckk s SER 101 Cb -0.13 -0.69 1.43 0.00 0.10 0.00 0.00 66.02 66.73 1ckk s SER 101 CO 0.02 0.24 1.51 0.00 0.98 0.00 0.00 173.24 175.99 1ckk h ALA 102 N 4.37 3.46 0.07 5.32 0.00 -1.96 0.69 119.26 131.20 1ckk h ALA 102 Ca -0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ckk h ALA 102 Cb 1.16 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ckk h ALA 102 CO 0.49 -2.08 -0.03 0.00 0.00 0.00 0.00 179.25 177.63 1ckk h ALA 103 N 0.88 -0.09 -0.95 0.00 0.00 -1.98 -0.11 119.26 117.00 1ckk h ALA 103 Ca 0.73 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.51 1ckk h ALA 103 Cb 3.29 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 21.05 1ckk h ALA 103 CO -0.01 -0.32 0.61 0.93 0.00 0.00 0.00 179.25 180.47 1ckk h GLU 104 N -0.56 0.98 -0.23 0.00 5.08 0.06 -0.27 114.58 119.63 1ckk h GLU 104 Ca -0.01 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1ckk h GLU 104 Cb 0.48 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ckk h GLU 104 CO 0.02 0.65 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.15 1ckk h LEU 105 N 1.01 0.64 -1.37 1.33 3.38 -1.32 -2.41 115.31 116.56 1ckk h LEU 105 Ca 0.44 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ckk h LEU 105 Cb 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ckk h LEU 105 CO -0.19 1.00 -0.31 -0.09 0.09 0.00 0.00 178.44 178.93 1ckk h ARG 106 N 0.48 0.00 0.01 1.13 2.43 0.63 0.13 114.38 119.18 1ckk h ARG 106 Ca 0.03 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 1ckk h ARG 106 Cb 0.97 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1ckk h ARG 106 CO 0.09 0.31 -0.92 0.45 -1.51 0.00 0.00 179.97 178.39 1ckk h HIS 107 N 0.00 0.38 0.19 2.20 3.86 -0.91 -2.12 115.15 118.75 1ckk h HIS 107 Ca -0.00 -0.21 -0.31 0.00 -1.16 0.00 0.00 60.37 58.69 1ckk h HIS 107 Cb 0.56 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 29.01 1ckk h HIS 107 CO 0.00 1.04 -1.35 -0.24 0.86 0.00 0.00 177.93 178.23 1ckk h VAL 108 N 0.13 1.39 -0.32 2.45 3.04 -1.02 -2.61 116.25 119.31 1ckk h VAL 108 Ca -0.06 -2.86 -0.12 0.00 -1.01 0.00 0.00 66.70 62.65 1ckk h VAL 108 Cb 1.56 2.98 -0.01 0.00 -2.01 0.00 0.00 31.29 33.80 1ckk h VAL 108 CO 0.15 0.85 -0.28 0.00 -1.01 0.00 0.00 177.57 177.27 1ckk h MET 109 N 0.12 0.66 -0.35 4.17 3.00 -0.81 -1.44 114.93 120.27 1ckk h MET 109 Ca -0.19 -0.28 -0.17 0.00 0.00 0.00 0.00 59.70 59.06 1ckk h MET 109 Cb 2.06 -0.02 -0.00 0.00 0.00 0.00 0.00 31.60 33.63 1ckk h MET 109 CO 0.24 0.86 -0.43 1.15 0.00 0.00 0.00 176.91 178.73 1ckk h THR 110 N 0.57 1.27 0.00 -0.10 2.02 -1.24 -1.72 112.91 113.71 1ckk h THR 110 Ca 0.07 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.64 1ckk h THR 110 Cb 0.77 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1ckk h THR 110 CO 0.06 0.53 0.00 0.59 0.37 0.00 0.00 175.52 177.08 1ckk n ASN 111 N -4.04 0.68 -0.05 4.18 3.02 -0.98 -3.26 115.26 114.80 1ckk n ASN 111 Ca -0.03 0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 54.96 1ckk n ASN 111 Cb 0.57 -0.79 -0.13 0.00 -0.61 0.00 0.00 39.78 38.82 1ckk n ASN 111 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ckk h LEU 112 N 0.00 0.18 0.00 3.41 3.38 -0.79 -3.43 115.31 118.06 1ckk h LEU 112 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1ckk h LEU 112 Cb 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ckk h LEU 112 CO 0.00 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.62 1ckk n GLY 113 N 1.62 0.23 3.24 0.83 0.00 -0.73 -4.96 105.19 105.43 1ckk n GLY 113 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1ckk n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckk s GLU 114 N 0.00 1.00 -0.51 1.61 2.56 -0.74 -5.00 118.70 117.62 1ckk s GLU 114 Ca 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 54.97 53.94 1ckk s GLU 114 Cb 0.00 -1.13 0.21 0.00 2.00 0.00 0.00 34.13 35.22 1ckk s GLU 114 CO 0.00 0.25 0.51 1.63 -0.56 0.00 0.00 175.26 177.10 1ckk n LYS 115 N 1.10 1.15 -1.24 4.30 5.02 -1.26 -2.89 118.16 124.34 1ckk n LYS 115 Ca -0.20 -3.74 -0.41 0.00 -2.02 0.00 0.00 58.31 51.94 1ckk n LYS 115 Cb 0.54 -1.75 -0.01 0.00 -0.02 0.00 0.00 35.03 33.79 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ckk n LEU 116 N 1.78 -2.16 0.00 -0.35 4.32 -1.26 -4.93 117.00 114.41 1ckk n LEU 116 Ca 0.25 0.86 0.00 0.00 -0.02 0.00 0.00 56.01 57.10 1ckk n LEU 116 Cb 0.46 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.41 1ckk n LEU 116 CO 0.22 -3.53 0.00 0.41 -1.22 0.00 0.00 177.39 173.27 1ckk n THR 117 N -0.62 0.00 -0.05 -5.08 -1.04 -1.26 -4.79 114.28 101.44 1ckk n THR 117 Ca 0.13 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1ckk n THR 117 Cb 0.32 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.78 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 3.13 0.10 8.00 8.00 -1.26 -4.12 116.55 130.40 1ckk n ASP 118 Ca 0.00 -0.05 -0.03 0.00 0.71 0.00 0.00 54.79 55.42 1ckk n ASP 118 Cb 0.00 -0.05 0.17 0.00 -0.02 0.00 0.00 41.12 41.22 1ckk n ASP 118 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1ckk h GLU 119 N 0.00 0.20 0.15 -1.24 4.11 -1.99 -1.80 114.58 114.01 1ckk h GLU 119 Ca -0.24 -0.12 -0.30 0.00 0.07 0.00 0.00 59.36 58.78 1ckk h GLU 119 Cb 1.39 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.69 1ckk h GLU 119 CO -0.03 0.68 -1.26 1.05 0.07 0.00 0.00 179.01 179.53 1ckk h GLU 120 N 0.15 0.58 -0.50 1.06 4.11 -1.94 -2.57 114.58 115.47 1ckk h GLU 120 Ca 0.00 -0.83 -0.04 0.00 0.07 0.00 0.00 59.36 58.56 1ckk h GLU 120 Cb 0.99 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1ckk h GLU 120 CO 0.08 1.38 0.13 0.28 0.07 0.00 0.00 179.01 180.95 1ckk h VAL 121 N 0.19 1.21 -0.08 -1.06 2.07 -1.70 -0.47 116.25 116.41 1ckk h VAL 121 Ca -0.20 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 1ckk h VAL 121 Cb 1.94 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1ckk h VAL 121 CO 0.24 0.28 -0.04 0.44 0.02 0.00 0.00 177.57 178.51 1ckk h ASP 122 N 0.73 0.17 0.32 0.57 3.32 -1.35 -1.82 116.42 118.35 1ckk h ASP 122 Ca 0.16 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1ckk h ASP 122 Cb 0.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1ckk h ASP 122 CO -0.00 0.54 0.00 -0.33 -1.72 0.00 0.00 179.24 177.73 1ckk h GLU 123 N -0.21 0.00 0.08 3.56 4.39 -1.20 -0.37 114.58 120.83 1ckk h GLU 123 Ca 0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ckk h GLU 123 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1ckk h GLU 123 CO 0.01 0.00 -0.04 1.98 -1.16 0.00 0.00 179.01 179.80 1ckk h MET 124 N 0.00 -0.10 -0.59 2.33 4.05 -0.59 -1.29 114.93 118.75 1ckk h MET 124 Ca 0.00 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 1ckk h MET 124 Cb 0.16 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1ckk h MET 124 CO 0.00 0.21 0.33 0.82 0.23 0.00 0.00 176.91 178.50 1ckk h ILE 125 N -0.99 1.19 -0.56 1.77 1.08 -1.16 -1.73 117.51 117.11 1ckk h ILE 125 Ca -0.01 -0.48 -0.06 0.00 -0.39 0.00 0.00 64.86 63.92 1ckk h ILE 125 Cb 0.35 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 1ckk h ILE 125 CO 0.02 0.21 0.11 -0.09 -0.69 0.00 0.00 178.15 177.70 1ckk h ARG 126 N 0.80 0.88 0.00 2.37 2.43 -1.19 -0.53 114.38 119.15 1ckk h ARG 126 Ca 0.21 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ckk h ARG 126 Cb 0.04 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1ckk h ARG 126 CO -0.03 0.81 0.00 1.49 -1.51 0.00 0.00 179.97 180.72 1ckk h GLU 127 N 0.84 0.00 0.06 0.20 4.57 -0.67 -3.17 114.58 116.40 1ckk h GLU 127 Ca 0.18 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 57.99 1ckk h GLU 127 Cb 0.34 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.89 1ckk h GLU 127 CO 0.00 0.00 -2.14 0.00 -1.18 0.00 0.00 179.01 175.69 1ckk n ALA 128 N -1.83 1.10 -1.47 2.92 0.00 -0.60 -4.71 120.51 115.91 1ckk n ALA 128 Ca 0.02 -0.81 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 1ckk n ALA 128 Cb 0.26 -0.39 -0.10 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.58 0.69 -0.32 0.00 9.92 -0.31 -4.69 116.55 118.26 1ckk n ASP 129 Ca -0.39 -2.22 0.12 0.00 -0.53 0.00 0.00 54.79 51.77 1ckk n ASP 129 Cb 0.97 -1.51 0.30 0.00 -0.64 0.00 0.00 41.12 40.24 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ckk h ILE 130 N 6.81 0.63 0.13 0.53 2.04 -1.84 -0.28 117.51 125.52 1ckk h ILE 130 Ca 0.00 -0.21 -0.28 0.00 1.00 0.00 0.00 64.86 65.38 1ckk h ILE 130 Cb 1.00 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1ckk h ILE 130 CO 1.01 0.11 -1.26 -2.24 0.00 0.00 0.00 178.15 175.76 1ckk h ASP 131 N 0.61 0.41 -1.21 1.72 2.03 -1.96 -3.49 116.42 114.53 1ckk h ASP 131 Ca 0.55 -0.45 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 1ckk h ASP 131 Cb 0.91 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1ckk h ASP 131 CO -0.43 1.36 0.00 0.61 -1.03 0.00 0.00 179.24 179.75 1ckk n GLY 132 N 1.54 0.47 0.00 7.15 0.00 -0.12 -5.03 105.19 109.20 1ckk n GLY 132 Ca -0.09 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.44 1.87 0.00 1.61 5.68 -1.26 -4.99 116.55 119.02 1ckk n ASP 133 Ca 0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 1ckk n ASP 133 Cb 0.20 1.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.24 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 134 N 1.59 1.01 3.69 6.12 0.00 -1.26 -5.08 105.19 111.27 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 -0.51 0.87 0.22 1.61 -2.07 -1.26 -4.69 119.66 113.83 1ckk s GLN 135 Ca 0.00 -0.47 0.05 0.00 -1.82 0.00 0.00 55.36 53.11 1ckk s GLN 135 Cb 0.00 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 1ckk s GLN 135 CO 0.00 -0.40 0.34 0.08 -1.32 0.00 0.00 175.29 173.99 1ckk s VAL 136 N -2.95 5.22 0.36 3.63 1.01 -0.90 -4.65 120.40 122.13 1ckk s VAL 136 Ca 0.13 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1ckk s VAL 136 Cb 0.01 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1ckk s VAL 136 CO -0.01 -0.29 0.08 0.21 0.00 0.00 0.00 175.10 175.10 1ckk s ASN 137 N -3.84 2.56 0.07 3.32 2.47 -1.26 0.38 114.94 118.64 1ckk s ASN 137 Ca 0.34 -1.50 -0.29 0.00 0.42 0.00 0.00 52.86 51.83 1ckk s ASN 137 Cb -0.09 0.17 -0.14 0.00 -1.45 0.00 0.00 41.25 39.73 1ckk s ASN 137 CO 0.29 -0.74 1.45 0.22 -3.72 0.00 0.00 177.10 174.60 1ckk h TYR 138 N 1.97 -1.13 -0.97 0.43 3.20 -1.98 1.14 116.97 119.63 1ckk h TYR 138 Ca -0.39 0.00 0.27 0.00 3.14 0.00 0.00 58.73 61.75 1ckk h TYR 138 Cb 1.26 0.43 -0.05 0.00 1.54 0.00 0.00 36.73 39.91 1ckk h TYR 138 CO 0.95 -0.56 0.68 0.93 -1.64 0.00 0.00 178.16 178.52 1ckk h GLU 139 N -0.87 0.12 0.00 1.82 3.07 -1.97 -1.26 114.58 115.50 1ckk h GLU 139 Ca -0.06 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 1ckk h GLU 139 Cb 0.73 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1ckk h GLU 139 CO -0.02 0.08 -0.17 1.49 -1.40 0.00 0.00 179.01 178.99 1ckk h GLU 140 N 0.12 0.00 0.00 2.33 4.81 -1.67 -2.15 114.58 118.02 1ckk h GLU 140 Ca 0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.71 1ckk h GLU 140 Cb 1.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.08 1ckk h GLU 140 CO -0.08 0.91 0.23 0.35 -0.73 0.00 0.00 179.01 179.69 1ckk h PHE 141 N -1.00 0.00 0.02 0.92 3.57 0.22 -0.78 116.94 119.89 1ckk h PHE 141 Ca -0.05 0.00 -0.37 0.00 3.53 0.00 0.00 57.97 61.08 1ckk h PHE 141 Cb 0.96 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 1ckk h PHE 141 CO 0.23 0.00 -2.30 0.28 -2.23 0.00 0.00 178.31 174.28 1ckk n VAL 142 N -2.59 1.53 0.58 1.41 0.31 -0.56 -4.01 118.33 115.01 1ckk n VAL 142 Ca -0.02 -0.68 0.10 0.00 -0.01 0.00 0.00 64.34 63.74 1ckk n VAL 142 Cb 0.27 -1.21 0.42 0.00 -0.91 0.00 0.00 33.84 32.41 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 -3.16 0.07 0.02 5.55 0.00 -0.39 -1.15 117.38 118.32 1ckk n GLN 143 Ca -0.38 0.24 -0.00 0.00 -0.00 0.00 0.00 57.00 56.86 1ckk n GLN 143 Cb 1.05 -1.61 -0.09 0.00 0.00 0.00 0.00 30.24 29.58 1ckk n GLN 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1ckk n MET 144 N -1.73 0.63 -0.09 3.69 2.81 -0.67 -3.97 117.12 117.79 1ckk n MET 144 Ca 0.04 0.17 -0.10 0.00 -1.81 0.00 0.00 57.70 56.00 1ckk n MET 144 Cb 0.24 -1.76 -0.16 0.00 -0.71 0.00 0.00 33.22 30.83 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 -2.83 0.68 -0.26 0.03 2.81 -1.10 -4.19 117.12 112.26 1ckk n MET 145 Ca -0.11 0.03 0.02 0.00 -1.81 0.00 0.00 57.70 55.83 1ckk n MET 145 Cb 0.85 -1.55 0.12 0.00 -0.71 0.00 0.00 33.22 31.92 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 -2.80 0.81 -1.86 2.03 -2.24 -0.30 -4.42 114.28 105.50 1ckk n THR 146 Ca -0.31 -0.41 -0.35 0.00 -2.27 0.00 0.00 64.05 60.71 1ckk n THR 146 Cb 1.14 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckk n ALA 147 N 0.18 6.51 0.00 6.98 0.00 -1.25 -5.00 120.51 127.93 1ckk n ALA 147 Ca 0.08 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1ckk n ALA 147 Cb 0.53 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67