#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 0.75 -0.37 0.00 -4.77 -1.26 -5.09 116.67 105.93 1ckk s ASP 2 Ca 0.00 -0.02 -0.40 0.00 -3.30 0.00 0.00 52.55 48.83 1ckk s ASP 2 Cb 0.00 -0.24 -0.16 0.00 -1.09 0.00 0.00 42.92 41.43 1ckk s ASP 2 CO 0.00 -0.14 1.95 0.00 0.70 0.00 0.00 175.17 177.68 1ckk n GLN 3 N 4.52 0.76 -0.42 2.11 10.64 -1.26 -4.92 117.38 128.81 1ckk n GLN 3 Ca -0.19 0.25 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 1ckk n GLN 3 Cb 0.50 -2.01 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 1ckk n GLN 3 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1ckk n LEU 4 N 7.05 0.00 0.17 2.61 4.77 -1.26 -4.97 117.00 125.36 1ckk n LEU 4 Ca 0.38 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 1ckk n LEU 4 Cb 0.10 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.46 1ckk n LEU 4 CO 0.82 -0.10 0.82 0.71 -1.33 0.00 0.00 177.39 178.30 1ckk h THR 5 N 0.11 0.00 0.00 -5.08 1.35 -2.02 -3.29 112.91 103.98 1ckk h THR 5 Ca 0.00 -0.77 -0.43 0.00 -0.55 0.00 0.00 66.41 64.66 1ckk h THR 5 Cb 0.00 1.75 -0.07 0.00 -1.73 0.00 0.00 68.15 68.10 1ckk h THR 5 CO 0.00 0.00 -2.49 1.21 -0.25 0.00 0.00 175.52 173.99 1ckk n GLU 6 N -2.72 0.62 -0.25 4.72 2.13 -1.26 -4.00 120.64 119.88 1ckk n GLU 6 Ca 0.05 0.22 0.06 0.00 0.66 0.00 0.00 57.16 58.15 1ckk n GLU 6 Cb 0.49 -1.51 0.18 0.00 0.27 0.00 0.00 31.44 30.87 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 -0.57 0.24 0.61 5.31 4.57 -1.94 -0.43 114.58 122.36 1ckk h GLU 7 Ca -0.64 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.49 1ckk h GLU 7 Cb 1.74 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 30.28 1ckk h GLU 7 CO -0.28 0.16 -0.29 1.96 -1.18 0.00 0.00 179.01 179.38 1ckk h GLN 8 N 0.25 -0.78 -0.43 1.92 4.20 -1.78 -2.65 115.11 115.83 1ckk h GLN 8 Ca 0.42 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.27 1ckk h GLN 8 Cb 0.73 0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.59 1ckk h GLN 8 CO -0.53 -0.48 -0.22 0.82 -0.67 0.00 0.00 178.83 177.74 1ckk h ILE 9 N -0.95 0.36 -0.90 2.54 2.04 -1.51 0.28 117.51 119.37 1ckk h ILE 9 Ca -0.08 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.96 1ckk h ILE 9 Cb 0.67 0.36 -0.11 0.00 -0.74 0.00 0.00 36.82 37.00 1ckk h ILE 9 CO 0.14 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.75 1ckk h ALA 10 N 1.12 1.42 -0.21 1.87 0.00 -1.06 0.86 119.26 123.26 1ckk h ALA 10 Ca 0.21 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1ckk h ALA 10 Cb 0.46 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ckk h ALA 10 CO -0.52 -0.17 0.11 1.49 0.00 0.00 0.00 179.25 180.17 1ckk h GLU 11 N 0.58 0.23 -0.52 0.00 4.81 -0.58 -1.84 114.58 117.27 1ckk h GLU 11 Ca 0.52 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.65 1ckk h GLU 11 Cb 0.84 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1ckk h GLU 11 CO -0.42 0.15 -0.00 0.74 -0.73 0.00 0.00 179.01 178.75 1ckk h PHE 12 N 0.24 0.99 -0.73 0.92 0.04 -0.73 -2.45 116.94 115.22 1ckk h PHE 12 Ca 0.08 -0.17 0.12 0.00 2.80 0.00 0.00 57.97 60.80 1ckk h PHE 12 Cb 0.01 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 37.85 1ckk h PHE 12 CO -0.09 0.92 0.49 -0.22 -0.60 0.00 0.00 178.31 178.81 1ckk h LYS 13 N 0.78 0.48 -0.04 1.51 3.64 -0.57 0.25 116.57 122.62 1ckk h LYS 13 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ckk h LYS 13 Cb 0.53 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1ckk h LYS 13 CO 0.03 0.32 -0.01 0.93 -2.27 0.00 0.00 179.45 178.44 1ckk h GLU 14 N 0.50 0.08 -0.57 1.90 5.08 -0.88 -1.29 114.58 119.40 1ckk h GLU 14 Ca 0.35 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1ckk h GLU 14 Cb 0.68 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1ckk h GLU 14 CO -0.12 0.44 0.26 0.00 -1.00 0.00 0.00 179.01 178.59 1ckk h ALA 15 N 0.65 0.73 0.00 3.43 0.00 -0.95 0.18 119.26 123.29 1ckk h ALA 15 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ckk h ALA 15 Cb 0.41 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ckk h ALA 15 CO 0.00 0.31 -0.07 0.35 0.00 0.00 0.00 179.25 179.85 1ckk h PHE 16 N 0.77 0.00 0.11 0.00 3.57 -0.51 -2.00 116.94 118.88 1ckk h PHE 16 Ca 0.19 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.39 1ckk h PHE 16 Cb 0.14 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1ckk h PHE 16 CO 0.00 0.07 -1.53 1.03 -2.23 0.00 0.00 178.31 175.65 1ckk h SER 17 N 0.00 0.37 -0.56 0.41 0.87 -0.06 -3.03 113.55 111.54 1ckk h SER 17 Ca -0.00 -0.51 0.08 0.00 -1.23 0.00 0.00 61.79 60.13 1ckk h SER 17 Cb 0.15 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 61.92 1ckk h SER 17 CO 0.01 1.43 0.20 0.25 -0.53 0.00 0.00 176.83 178.19 1ckk h LEU 18 N 0.06 0.20 -0.05 2.23 6.46 0.06 -2.55 115.31 121.72 1ckk h LEU 18 Ca -0.24 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.57 1ckk h LEU 18 Cb 2.01 0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 41.99 1ckk h LEU 18 CO 0.16 0.13 -0.06 -0.26 -0.62 0.00 0.00 178.44 177.79 1ckk h PHE 19 N 0.38 0.16 0.00 1.25 0.04 -1.63 -3.33 116.94 113.82 1ckk h PHE 19 Ca 0.28 -0.05 -0.47 0.00 2.80 0.00 0.00 57.97 60.53 1ckk h PHE 19 Cb 0.33 -0.03 0.06 0.00 2.20 0.00 0.00 35.95 38.50 1ckk h PHE 19 CO -0.17 0.60 1.92 -0.25 -0.60 0.00 0.00 178.31 179.81 1ckk n ASP 20 N -4.74 2.23 -0.32 2.17 8.00 -0.96 -4.57 116.55 118.36 1ckk n ASP 20 Ca -0.08 -2.45 0.01 0.00 0.71 0.00 0.00 54.79 52.99 1ckk n ASP 20 Cb 0.30 -0.85 0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1ckk n ASP 20 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ckk h LYS 21 N 8.11 -0.02 -0.16 -1.24 1.63 -1.69 0.20 116.57 123.39 1ckk h LYS 21 Ca 0.33 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.94 1ckk h LYS 21 Cb 0.46 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1ckk h LYS 21 CO 1.72 -0.02 -0.62 0.38 -3.45 0.00 0.00 179.45 177.46 1ckk h ASP 22 N -0.02 0.83 -0.54 4.20 2.03 -1.91 -3.48 116.42 117.53 1ckk h ASP 22 Ca 0.38 -0.61 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1ckk h ASP 22 Cb 0.63 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 1ckk h ASP 22 CO -0.91 1.30 0.00 0.61 -1.03 0.00 0.00 179.24 179.21 1ckk n GLY 23 N 0.62 0.72 0.40 7.15 0.00 0.69 -5.00 105.19 109.78 1ckk n GLY 23 Ca -0.07 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.07 1.63 0.00 1.61 5.68 -1.26 -4.94 116.55 119.34 1ckk n ASP 24 Ca 0.00 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.02 1ckk n ASP 24 Cb 0.18 0.34 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 25 N 1.39 0.92 3.21 6.12 0.00 -1.26 -5.05 105.19 110.52 1ckk n GLY 25 Ca 0.10 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.00 -0.10 2.61 -4.23 -1.25 -4.56 115.64 105.11 1ckk s THR 26 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1ckk s THR 26 Cb 0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.82 1ckk s THR 26 CO 0.00 0.00 1.07 -0.63 -0.54 0.00 0.00 174.62 174.52 1ckk s ILE 27 N 2.87 4.62 0.59 2.99 1.01 -0.45 -4.78 121.20 128.04 1ckk s ILE 27 Ca 0.17 1.91 0.10 0.00 0.00 0.00 0.00 60.65 62.83 1ckk s ILE 27 Cb -0.15 -4.23 0.10 0.00 0.01 0.00 0.00 42.46 38.20 1ckk s ILE 27 CO -0.21 -0.01 0.81 0.35 0.00 0.00 0.00 174.94 175.89 1ckk n THR 28 N 4.63 0.00 0.05 2.92 -2.24 -1.26 -2.63 114.28 115.75 1ckk n THR 28 Ca 0.10 -1.98 -0.06 0.00 -2.27 0.00 0.00 64.05 59.84 1ckk n THR 28 Cb 0.48 -0.50 0.13 0.00 -2.10 0.00 0.00 70.33 68.34 1ckk n THR 28 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ckk h THR 29 N 0.11 1.34 0.03 4.28 1.35 -1.96 -2.97 112.91 115.09 1ckk h THR 29 Ca -0.28 -1.77 -0.00 0.00 -0.55 0.00 0.00 66.41 63.81 1ckk h THR 29 Cb 1.28 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1ckk h THR 29 CO 0.40 0.54 -0.01 0.50 -0.25 0.00 0.00 175.52 176.69 1ckk h LYS 30 N 0.29 -0.03 0.00 4.72 3.64 -1.97 -0.88 116.57 122.33 1ckk h LYS 30 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ckk h LYS 30 Cb 1.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1ckk h LYS 30 CO 0.09 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 178.10 1ckk n GLU 31 N -4.87 0.00 -0.24 1.90 1.02 -1.22 -0.04 120.64 117.19 1ckk n GLU 31 Ca -0.08 0.72 0.23 0.00 -0.02 0.00 0.00 57.16 58.00 1ckk n GLU 31 Cb 0.25 -1.50 0.58 0.00 -0.02 0.00 0.00 31.44 30.75 1ckk n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ckk h LEU 32 N 0.00 0.29 -0.79 -4.62 5.85 -1.65 0.36 115.31 114.75 1ckk h LEU 32 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ckk h LEU 32 Cb 0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1ckk h LEU 32 CO 0.00 0.10 0.43 1.23 -0.34 0.00 0.00 178.44 179.86 1ckk h GLY 33 N 0.28 1.18 1.01 3.75 0.00 0.30 -0.75 103.07 108.83 1ckk h GLY 33 Ca 0.48 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1ckk h GLY 33 CO -0.14 0.51 0.46 -0.84 0.00 0.00 0.00 176.54 176.53 1ckk h THR 34 N 1.09 1.22 -0.23 4.70 2.02 0.34 0.59 112.91 122.65 1ckk h THR 34 Ca 0.28 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 1ckk h THR 34 Cb 0.03 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1ckk h THR 34 CO -0.04 0.23 0.03 0.58 0.37 0.00 0.00 175.52 176.69 1ckk h VAL 35 N 1.06 1.23 0.00 3.16 2.07 -1.09 -0.35 116.25 122.33 1ckk h VAL 35 Ca 0.28 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1ckk h VAL 35 Cb -0.02 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1ckk h VAL 35 CO -0.05 0.25 0.00 0.24 0.02 0.00 0.00 177.57 178.03 1ckk h MET 36 N 0.19 0.00 0.00 1.57 2.86 -0.81 -1.87 114.93 116.87 1ckk h MET 36 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1ckk h MET 36 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ckk h MET 36 CO 0.01 0.00 -0.99 -2.13 1.06 0.00 0.00 176.91 174.86 1ckk n ARG 37 N -3.04 0.44 0.02 1.72 0.63 0.17 -3.15 116.66 113.45 1ckk n ARG 37 Ca -0.01 0.06 -0.22 0.00 -0.92 0.00 0.00 57.85 56.76 1ckk n ARG 37 Cb 0.22 -1.70 -0.14 0.00 0.45 0.00 0.00 32.46 31.28 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 0.42 -0.58 6.15 0.02 -0.27 -3.32 113.55 115.97 1ckk h SER 38 Ca 0.00 -0.87 0.17 0.00 -0.84 0.00 0.00 61.79 60.25 1ckk h SER 38 Cb 0.86 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1ckk h SER 38 CO 0.00 1.64 0.58 -0.07 -1.14 0.00 0.00 176.83 177.84 1ckk h LEU 39 N -0.24 0.00 0.00 5.07 3.38 -1.62 -3.44 115.31 118.47 1ckk h LEU 39 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ckk h LEU 39 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1ckk h LEU 39 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1ckk n GLY 40 N -1.56 1.40 0.00 0.83 0.00 -1.25 -5.00 105.19 99.62 1ckk n GLY 40 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.03 0.48 -3.36 1.61 3.00 -1.19 -5.07 117.38 112.82 1ckk n GLN 41 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1ckk n GLN 41 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1ckk n GLN 41 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1ckk s ASN 42 N -0.32 1.13 0.54 1.08 2.47 -1.26 -4.40 114.94 114.17 1ckk s ASN 42 Ca 0.00 -0.83 -0.20 0.00 0.42 0.00 0.00 52.86 52.25 1ckk s ASN 42 Cb 0.00 0.72 -0.06 0.00 -1.45 0.00 0.00 41.25 40.47 1ckk s ASN 42 CO 0.00 -0.35 1.17 -2.16 -3.72 0.00 0.00 177.10 172.04 1ckk s PRO 43 N 2.21 3.32 -0.12 0.43 0.04 -1.26 -5.02 135.00 134.60 1ckk s PRO 43 Ca 0.11 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1ckk s PRO 43 Cb -0.14 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1ckk s PRO 43 CO -0.25 -0.90 0.23 0.99 0.04 0.00 0.00 177.00 177.11 1ckk s THR 44 N -1.66 5.34 0.29 1.26 2.01 -1.26 -4.92 115.64 116.70 1ckk s THR 44 Ca 0.72 0.43 0.02 0.00 0.31 0.00 0.00 61.69 63.17 1ckk s THR 44 Cb -0.27 -3.54 0.32 0.00 0.01 0.00 0.00 72.50 69.02 1ckk s THR 44 CO 0.31 0.51 1.63 -0.33 -0.69 0.00 0.00 174.62 176.05 1ckk h GLU 45 N 5.75 0.16 0.44 4.92 5.08 -1.98 0.82 114.58 129.76 1ckk h GLU 45 Ca -0.48 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1ckk h GLU 45 Cb 1.19 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ckk h GLU 45 CO 0.67 0.10 -0.21 0.00 -1.00 0.00 0.00 179.01 178.58 1ckk h ALA 46 N 1.81 -0.59 -0.40 3.43 0.00 -2.00 -2.77 119.26 118.74 1ckk h ALA 46 Ca 0.55 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.34 1ckk h ALA 46 Cb 1.12 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1ckk h ALA 46 CO -0.70 -0.62 0.11 0.93 0.00 0.00 0.00 179.25 178.97 1ckk h GLU 47 N -1.00 0.24 -0.10 0.00 4.39 -1.67 -1.41 114.58 115.03 1ckk h GLU 47 Ca -0.06 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1ckk h GLU 47 Cb 0.56 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1ckk h GLU 47 CO 0.10 0.16 -0.40 1.25 -1.16 0.00 0.00 179.01 178.95 1ckk h LEU 48 N 0.25 -1.28 -0.78 1.33 6.46 0.58 0.75 115.31 122.62 1ckk h LEU 48 Ca 0.19 0.15 0.15 0.00 -0.12 0.00 0.00 57.88 58.25 1ckk h LEU 48 Cb 0.21 0.50 -0.10 0.00 -0.73 0.00 0.00 40.66 40.54 1ckk h LEU 48 CO -0.23 -0.36 0.32 -0.61 -0.62 0.00 0.00 178.44 176.94 1ckk h GLN 49 N -0.44 0.44 0.00 1.25 5.75 -1.24 0.55 115.11 121.42 1ckk h GLN 49 Ca 0.02 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 1ckk h GLN 49 Cb 0.51 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1ckk h GLN 49 CO -0.32 0.29 -0.21 -0.44 -2.65 0.00 0.00 178.83 175.50 1ckk h ASP 50 N 0.45 0.00 0.00 -0.69 5.19 0.01 -0.17 116.42 121.21 1ckk h ASP 50 Ca 0.43 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.83 1ckk h ASP 50 Cb 0.68 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.19 1ckk h ASP 50 CO -0.42 0.21 -0.06 0.24 -3.12 0.00 0.00 179.24 176.09 1ckk h MET 51 N 0.00 0.04 0.00 3.56 2.86 0.55 -3.05 114.93 118.89 1ckk h MET 51 Ca -0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1ckk h MET 51 Cb 0.41 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1ckk h MET 51 CO 0.03 0.84 0.00 -0.89 1.06 0.00 0.00 176.91 177.95 1ckk n ILE 52 N -4.65 0.96 0.20 -1.22 5.41 0.21 -1.90 119.36 118.38 1ckk n ILE 52 Ca -0.10 0.24 0.12 0.00 1.00 0.00 0.00 62.75 64.01 1ckk n ILE 52 Cb 0.43 -0.98 0.09 0.00 -0.71 0.00 0.00 39.64 38.46 1ckk n ILE 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 1ckk h ASN 53 N 0.00 0.00 0.42 4.38 -0.26 -0.96 -3.02 115.58 116.14 1ckk h ASN 53 Ca 0.00 -0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1ckk h ASN 53 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1ckk h ASN 53 CO 0.00 0.01 -0.20 -0.33 -1.06 0.00 0.00 177.43 175.85 1ckk h GLU 54 N 0.00 -0.55 -0.07 0.81 4.39 -1.28 -3.23 114.58 114.66 1ckk h GLU 54 Ca 0.00 0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1ckk h GLU 54 Cb 0.97 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1ckk h GLU 54 CO 0.00 -0.24 -0.47 0.28 -1.16 0.00 0.00 179.01 177.42 1ckk h VAL 55 N -0.98 1.34 -0.07 3.13 2.07 -1.72 -3.38 116.25 116.64 1ckk h VAL 55 Ca -0.06 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1ckk h VAL 55 Cb 0.56 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1ckk h VAL 55 CO 0.10 0.49 0.09 0.47 0.02 0.00 0.00 177.57 178.73 1ckk n ASP 56 N -3.98 1.17 0.24 0.57 8.00 -1.14 -4.63 116.55 116.78 1ckk n ASP 56 Ca -0.02 -2.44 0.12 0.00 0.71 0.00 0.00 54.79 53.17 1ckk n ASP 56 Cb 0.51 -1.65 0.47 0.00 -0.02 0.00 0.00 41.12 40.43 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckk h ALA 57 N 11.53 0.99 -0.24 2.24 0.00 -1.83 -3.14 119.26 128.81 1ckk h ALA 57 Ca 0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1ckk h ALA 57 Cb 0.99 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1ckk h ALA 57 CO 1.03 0.16 -0.58 -0.44 0.00 0.00 0.00 179.25 179.42 1ckk h ASP 58 N 0.00 0.87 0.00 0.00 3.32 -1.94 -3.47 116.42 115.20 1ckk h ASP 58 Ca -0.00 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1ckk h ASP 58 Cb 0.74 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1ckk h ASP 58 CO 0.02 1.26 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 1ckk n GLY 59 N 0.38 1.07 0.12 2.75 0.00 -1.19 -4.99 105.19 103.33 1ckk n GLY 59 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 0.41 0.00 1.61 -1.07 -1.91 -3.48 115.58 111.13 1ckk h ASN 60 Ca 0.00 -0.90 0.00 0.00 0.07 0.00 0.00 56.30 55.47 1ckk h ASN 60 Cb 0.00 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.12 1ckk h ASN 60 CO 0.00 1.48 0.00 0.61 0.07 0.00 0.00 177.43 179.59 1ckk n GLY 61 N 1.69 1.46 2.94 9.14 0.00 -1.26 -5.11 105.19 114.04 1ckk n GLY 61 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 0.19 0.31 2.61 -4.23 -1.26 -4.76 115.64 106.50 1ckk s THR 62 Ca 0.00 -0.38 -0.13 0.00 -1.18 0.00 0.00 61.69 60.01 1ckk s THR 62 Cb 0.00 -0.22 -0.08 0.00 1.34 0.00 0.00 72.50 73.54 1ckk s THR 62 CO 0.00 -0.12 0.70 -0.63 -0.54 0.00 0.00 174.62 174.02 1ckk s ILE 63 N -0.50 4.76 0.24 2.99 -1.09 -1.08 -4.75 121.20 121.76 1ckk s ILE 63 Ca -0.04 0.78 0.04 0.00 -2.23 0.00 0.00 60.65 59.20 1ckk s ILE 63 Cb -0.04 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.16 1ckk s ILE 63 CO -0.00 -0.21 -0.02 -1.81 -1.23 0.00 0.00 174.94 171.66 1ckk s ASP 64 N -2.44 2.07 0.21 3.58 1.11 -1.26 -1.35 116.67 118.60 1ckk s ASP 64 Ca 0.52 -1.20 -0.10 0.00 0.18 0.00 0.00 52.55 51.95 1ckk s ASP 64 Cb -0.10 -0.04 0.29 0.00 1.07 0.00 0.00 42.92 44.14 1ckk s ASP 64 CO 0.20 -0.46 1.69 0.15 1.18 0.00 0.00 175.17 177.93 1ckk h PHE 65 N 2.44 0.09 -0.46 4.23 3.57 -1.95 -0.84 116.94 124.02 1ckk h PHE 65 Ca -0.39 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.04 1ckk h PHE 65 Cb 1.22 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1ckk h PHE 65 CO 0.61 -0.09 -0.17 -1.00 -2.23 0.00 0.00 178.31 175.43 1ckk h PRO 66 N 0.19 0.93 -0.33 6.41 0.13 -1.97 -2.27 132.00 135.09 1ckk h PRO 66 Ca 0.32 -0.38 0.10 0.00 -0.87 0.00 0.00 66.00 65.16 1ckk h PRO 66 Cb 0.49 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1ckk h PRO 66 CO -0.45 1.04 0.24 1.49 -0.23 0.00 0.00 178.00 180.09 1ckk h GLU 67 N 0.77 0.00 0.44 0.86 4.81 -1.63 -1.99 114.58 117.85 1ckk h GLU 67 Ca 0.11 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1ckk h GLU 67 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1ckk h GLU 67 CO 0.06 0.00 -0.21 0.35 -0.73 0.00 0.00 179.01 178.47 1ckk h PHE 68 N 0.00 -0.55 -0.26 0.92 3.57 -0.61 0.27 116.94 120.28 1ckk h PHE 68 Ca 0.16 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1ckk h PHE 68 Cb 0.63 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1ckk h PHE 68 CO 0.00 -0.34 0.64 -0.07 -2.23 0.00 0.00 178.31 176.31 1ckk h LEU 69 N -0.83 0.00 -0.00 0.59 -0.00 -1.27 0.80 115.31 114.60 1ckk h LEU 69 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1ckk h LEU 69 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1ckk h LEU 69 CO 0.10 0.00 -0.97 0.41 -0.00 0.00 0.00 178.44 177.98 1ckk n THR 70 N -3.06 0.00 0.01 0.22 -1.04 -0.79 -4.41 114.28 105.22 1ckk n THR 70 Ca 0.05 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.05 61.83 1ckk n THR 70 Cb 0.75 1.00 -0.14 0.00 -1.82 0.00 0.00 70.33 70.12 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 0.00 0.25 0.00 -2.82 -0.00 0.43 -3.28 114.93 109.51 1ckk h MET 71 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 1ckk h MET 71 Cb 0.49 0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 1ckk h MET 71 CO 0.00 1.20 0.00 -1.33 -0.00 0.00 0.00 176.91 176.78 1ckk n MET 72 N -3.91 0.00 -0.00 -0.10 2.00 -1.09 -1.77 117.12 112.26 1ckk n MET 72 Ca -0.25 0.37 0.10 0.00 0.00 0.00 0.00 57.70 57.92 1ckk n MET 72 Cb 0.91 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 32.50 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 4.66 0.93 3.04 0.00 -1.25 -4.13 120.51 122.26 1ckk n ALA 73 Ca 0.02 -0.60 0.10 0.00 0.00 0.00 0.00 53.44 52.97 1ckk n ALA 73 Cb 0.09 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 1ckk n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ckk n ARG 74 N -1.54 0.05 -0.01 0.00 0.63 -0.73 -4.25 116.66 110.81 1ckk n ARG 74 Ca 0.04 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1ckk n ARG 74 Cb 0.34 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.63 1ckk n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ckk n LYS 75 N -1.56 0.65 -0.93 -0.14 4.01 -1.19 -4.42 118.16 114.57 1ckk n LYS 75 Ca 0.04 0.07 -0.18 0.00 -0.51 0.00 0.00 58.31 57.72 1ckk n LYS 75 Cb 0.35 -1.67 -0.10 0.00 -0.51 0.00 0.00 35.03 33.10 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1ckk n MET 76 N -2.71 2.20 0.02 1.97 2.81 -1.26 -3.86 117.12 116.30 1ckk n MET 76 Ca -0.14 -1.23 -0.01 0.00 -1.81 0.00 0.00 57.70 54.51 1ckk n MET 76 Cb 0.86 -2.19 -0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 3.02 0.03 0.00 0.03 5.02 -1.26 -5.03 118.16 119.97 1ckk n LYS 77 Ca 0.47 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.77 1ckk n LYS 77 Cb 0.56 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 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 -3.13 0.00 -0.19 4.39 2.03 -1.26 -4.92 116.55 113.47 1ckk n ASP 78 Ca -0.01 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.31 1ckk n ASP 78 Cb 0.03 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.46 1ckk n ASP 78 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1ckk n THR 79 N -0.44 0.11 -2.67 5.18 5.66 -1.26 -4.25 114.28 116.60 1ckk n THR 79 Ca 0.00 -0.10 -0.05 0.00 -3.05 0.00 0.00 64.05 60.86 1ckk n THR 79 Cb 0.00 -0.02 0.09 0.00 -1.55 0.00 0.00 70.33 68.86 1ckk n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ckk n ASP 80 N -0.25 -1.45 0.01 1.09 8.00 -1.25 -4.98 116.55 117.72 1ckk n ASP 80 Ca 0.02 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1ckk n ASP 80 Cb 0.09 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ckk n SER 81 N 1.03 0.21 -0.00 -2.24 3.41 -1.26 -4.28 113.62 110.49 1ckk n SER 81 Ca -0.01 0.04 0.10 0.00 -0.26 0.00 0.00 58.87 58.75 1ckk n SER 81 Cb 0.72 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 64.49 1ckk n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ckk n GLU 82 N -3.06 0.23 0.15 4.33 2.13 -1.26 -4.14 120.64 119.01 1ckk n GLU 82 Ca 0.00 -0.07 0.09 0.00 0.66 0.00 0.00 57.16 57.84 1ckk n GLU 82 Cb 0.34 -1.51 0.06 0.00 0.27 0.00 0.00 31.44 30.60 1ckk n GLU 82 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1ckk h GLU 83 N 0.00 0.00 0.00 5.31 4.11 -1.94 -3.26 114.58 118.80 1ckk h GLU 83 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1ckk h GLU 83 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1ckk h GLU 83 CO 0.00 0.12 -0.50 1.05 0.07 0.00 0.00 179.01 179.75 1ckk h GLU 84 N 0.00 0.00 -0.11 1.06 4.11 -1.83 -2.95 114.58 114.86 1ckk h GLU 84 Ca -0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.19 1ckk h GLU 84 Cb 1.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ckk h GLU 84 CO 0.02 0.50 -0.77 0.82 0.07 0.00 0.00 179.01 179.64 1ckk h ILE 85 N 0.00 1.30 -0.24 -1.06 2.04 -1.76 -2.32 117.51 115.46 1ckk h ILE 85 Ca -0.00 -2.00 -0.02 0.00 1.00 0.00 0.00 64.86 63.84 1ckk h ILE 85 Cb 1.04 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1ckk h ILE 85 CO 0.06 0.62 0.06 -0.09 0.00 0.00 0.00 178.15 178.80 1ckk h ARG 86 N 0.42 0.34 0.33 2.37 1.12 -1.62 -0.67 114.38 116.67 1ckk h ARG 86 Ca -0.06 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 1ckk h ARG 86 Cb 1.41 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.31 1ckk h ARG 86 CO 0.16 0.33 -0.16 0.93 -3.11 0.00 0.00 179.97 178.12 1ckk h GLU 87 N 0.34 -0.43 -1.05 0.20 5.08 -1.41 -1.60 114.58 115.71 1ckk h GLU 87 Ca 0.08 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 58.75 1ckk h GLU 87 Cb 0.14 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 1ckk h GLU 87 CO -0.00 -0.11 0.68 0.00 -1.00 0.00 0.00 179.01 178.57 1ckk h ALA 88 N -0.61 2.29 0.54 3.43 0.00 -1.18 0.79 119.26 124.52 1ckk h ALA 88 Ca -0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ckk h ALA 88 Cb 0.51 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ckk h ALA 88 CO 0.07 -0.70 -0.26 0.35 0.00 0.00 0.00 179.25 178.72 1ckk h PHE 89 N 0.36 -0.67 -0.89 0.00 3.57 -0.93 -2.77 116.94 115.61 1ckk h PHE 89 Ca 0.59 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 62.30 1ckk h PHE 89 Cb 1.56 0.22 -0.16 0.00 2.79 0.00 0.00 35.95 40.36 1ckk h PHE 89 CO -0.00 -0.36 -0.01 -0.09 -2.23 0.00 0.00 178.31 175.62 1ckk h ARG 90 N -0.86 0.05 -0.48 1.11 9.65 0.16 0.74 114.38 124.75 1ckk h ARG 90 Ca -0.07 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.90 1ckk h ARG 90 Cb 0.61 -0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 29.09 1ckk h ARG 90 CO 0.12 0.04 -0.07 0.28 2.80 0.00 0.00 179.97 183.14 1ckk h VAL 91 N 0.06 0.56 -0.24 0.20 2.07 -1.16 -1.76 116.25 115.98 1ckk h VAL 91 Ca 0.51 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.93 1ckk h VAL 91 Cb 0.96 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1ckk h VAL 91 CO -0.82 0.01 -0.15 -0.26 0.02 0.00 0.00 177.57 176.37 1ckk h PHE 92 N 0.04 0.61 -1.42 1.57 0.04 0.49 -3.27 116.94 115.01 1ckk h PHE 92 Ca 0.24 -0.16 -0.76 0.00 2.80 0.00 0.00 57.97 60.08 1ckk h PHE 92 Cb 0.36 -0.14 -0.16 0.00 2.20 0.00 0.00 35.95 38.22 1ckk h PHE 92 CO -0.37 0.82 2.09 -3.47 -0.60 0.00 0.00 178.31 176.78 1ckk n ASP 93 N -4.46 7.70 -0.20 2.17 2.03 0.81 -4.64 116.55 119.96 1ckk n ASP 93 Ca -0.04 -3.25 0.01 0.00 0.52 0.00 0.00 54.79 52.03 1ckk n ASP 93 Cb 0.37 -1.33 0.12 0.00 -0.72 0.00 0.00 41.12 39.56 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ckk h LYS 94 N 4.62 0.24 0.00 -0.67 1.63 -1.51 0.20 116.57 121.08 1ckk h LYS 94 Ca 0.64 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.39 1ckk h LYS 94 Cb 0.33 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1ckk h LYS 94 CO 1.43 0.16 -0.18 0.38 -3.45 0.00 0.00 179.45 177.78 1ckk h ASP 95 N 0.24 0.00 -4.30 4.20 3.04 -1.88 -3.47 116.42 114.26 1ckk h ASP 95 Ca 0.33 0.00 -0.20 0.00 -3.24 0.00 0.00 57.03 53.91 1ckk h ASP 95 Cb 0.50 0.00 0.11 0.00 -1.04 0.00 0.00 39.33 38.90 1ckk h ASP 95 CO -0.43 0.18 -0.49 0.61 -2.04 0.00 0.00 179.24 177.08 1ckk n GLY 96 N -0.57 -0.09 0.04 7.15 0.00 0.71 -4.94 105.19 107.48 1ckk n GLY 96 Ca -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.35 0.35 0.00 1.61 6.94 -1.26 -4.96 115.26 115.59 1ckk n ASN 97 Ca -0.17 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 1ckk n ASN 97 Cb 0.60 1.41 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 1.28 1.72 3.54 4.83 0.00 -1.26 -5.10 105.19 110.19 1ckk n GLY 98 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.28 0.10 1.61 2.02 -1.26 -4.55 117.35 112.99 1ckk s TYR 99 Ca 0.00 0.22 0.09 0.00 -0.37 0.00 0.00 57.07 57.01 1ckk s TYR 99 Cb 0.00 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 42.04 1ckk s TYR 99 CO 0.00 -0.41 -0.20 0.42 -1.57 0.00 0.00 175.55 173.79 1ckk s ILE 100 N -2.66 2.71 0.05 2.71 1.01 0.21 -4.72 121.20 120.51 1ckk s ILE 100 Ca 0.06 -1.49 0.06 0.00 0.00 0.00 0.00 60.65 59.28 1ckk s ILE 100 Cb -0.01 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1ckk s ILE 100 CO -0.07 0.15 -0.17 -0.55 0.00 0.00 0.00 174.94 174.30 1ckk s SER 101 N -1.97 2.04 0.56 3.58 0.15 -1.26 -2.02 113.70 114.78 1ckk s SER 101 Ca 0.16 -0.53 0.45 0.00 0.70 0.00 0.00 55.95 56.73 1ckk s SER 101 Cb -0.10 -0.13 1.63 0.00 -1.71 0.00 0.00 66.02 65.70 1ckk s SER 101 CO 0.08 0.06 1.61 0.00 1.20 0.00 0.00 173.24 176.19 1ckk h ALA 102 N 4.69 3.61 0.44 5.45 0.00 -1.90 0.36 119.26 131.92 1ckk h ALA 102 Ca -0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1ckk h ALA 102 Cb 1.18 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1ckk h ALA 102 CO 0.43 -2.14 -0.21 0.00 0.00 0.00 0.00 179.25 177.32 1ckk h ALA 103 N 1.07 -0.60 -0.94 0.00 0.00 -1.98 0.14 119.26 116.95 1ckk h ALA 103 Ca 0.81 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.68 1ckk h ALA 103 Cb 3.33 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 21.27 1ckk h ALA 103 CO -0.01 -0.69 0.60 0.93 0.00 0.00 0.00 179.25 180.08 1ckk h GLU 104 N -0.88 0.73 -0.35 0.00 5.08 -0.59 0.61 114.58 119.18 1ckk h GLU 104 Ca -0.06 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 1ckk h GLU 104 Cb 0.57 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ckk h GLU 104 CO 0.10 0.48 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.12 1ckk h LEU 105 N 0.75 0.93 -1.37 1.33 3.38 -1.21 -2.54 115.31 116.58 1ckk h LEU 105 Ca 0.48 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ckk h LEU 105 Cb 0.73 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1ckk h LEU 105 CO -0.25 1.21 0.09 -0.09 0.09 0.00 0.00 178.44 179.49 1ckk h ARG 106 N 0.71 0.51 0.10 1.13 2.43 0.14 -0.60 114.38 118.80 1ckk h ARG 106 Ca 0.05 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ckk h ARG 106 Cb 0.98 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1ckk h ARG 106 CO 0.09 0.47 -0.05 1.25 -1.51 0.00 0.00 179.97 180.23 1ckk h HIS 107 N 0.51 -0.13 -0.80 2.20 2.76 -0.93 -2.89 115.15 115.86 1ckk h HIS 107 Ca 0.12 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1ckk h HIS 107 Cb 0.19 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 1ckk h HIS 107 CO 0.01 0.19 0.53 0.28 -1.30 0.00 0.00 177.93 177.64 1ckk h VAL 108 N -0.46 1.07 0.13 5.26 2.07 -1.16 -2.20 116.25 120.96 1ckk h VAL 108 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ckk h VAL 108 Cb 0.38 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1ckk h VAL 108 CO 0.02 0.17 -0.31 -0.03 0.02 0.00 0.00 177.57 177.44 1ckk h MET 109 N 0.91 -0.47 0.00 1.57 -1.53 -0.91 -0.28 114.93 114.21 1ckk h MET 109 Ca 0.34 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.63 1ckk h MET 109 Cb 0.17 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 31.33 1ckk h MET 109 CO -0.11 -0.32 0.00 1.15 0.14 0.00 0.00 176.91 177.77 1ckk h THR 110 N -0.49 0.00 0.00 -0.77 2.02 -1.38 -0.13 112.91 112.16 1ckk h THR 110 Ca -0.01 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1ckk h THR 110 Cb 0.47 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ckk h THR 110 CO -0.14 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.53 1ckk h ASN 111 N 0.00 0.00 0.00 4.18 -0.26 -0.44 -3.30 115.58 115.76 1ckk h ASN 111 Ca 0.00 0.00 -0.17 0.00 -0.56 0.00 0.00 56.30 55.57 1ckk h ASN 111 Cb 0.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1ckk h ASN 111 CO 0.00 0.00 -1.81 0.18 -1.06 0.00 0.00 177.43 174.74 1ckk n LEU 112 N -3.04 0.00 0.00 1.61 4.77 -0.38 -4.65 117.00 115.31 1ckk n LEU 112 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1ckk n LEU 112 Cb 0.50 0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1ckk n LEU 112 CO 0.33 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1ckk n GLY 113 N 2.06 0.77 3.78 -0.72 0.00 -0.20 -4.94 105.19 105.93 1ckk n GLY 113 Ca -0.15 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 3.62 -0.53 1.61 2.12 -1.24 -4.58 118.70 119.71 1ckk s GLU 114 Ca 0.00 1.56 0.04 0.00 0.36 0.00 0.00 54.97 56.93 1ckk s GLU 114 Cb 0.00 -2.15 0.16 0.00 0.26 0.00 0.00 34.13 32.40 1ckk s GLU 114 CO 0.00 -0.62 0.38 0.15 -0.54 0.00 0.00 175.26 174.63 1ckk s LYS 115 N -3.09 1.57 0.25 4.30 3.01 -1.26 -3.28 119.74 121.23 1ckk s LYS 115 Ca 0.68 -2.56 -0.21 0.00 -1.01 0.00 0.00 55.97 52.88 1ckk s LYS 115 Cb -0.22 -2.35 -0.14 0.00 -1.01 0.00 0.00 37.83 34.11 1ckk s LYS 115 CO 0.26 -1.31 0.27 1.28 0.51 0.00 0.00 175.35 176.36 1ckk n LEU 116 N 2.65 -1.68 0.00 3.17 4.32 -1.26 -4.92 117.00 119.28 1ckk n LEU 116 Ca 0.22 0.82 0.00 0.00 -0.02 0.00 0.00 56.01 57.03 1ckk n LEU 116 Cb 0.40 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 1ckk n LEU 116 CO 0.18 -2.97 0.00 0.41 -1.22 0.00 0.00 177.39 173.79 1ckk n THR 117 N -0.40 0.00 -0.04 -5.08 -1.04 -1.26 -4.74 114.28 101.72 1ckk n THR 117 Ca 0.12 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.10 1ckk n THR 117 Cb 0.27 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.77 1ckk n THR 117 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ckk n ASP 118 N 0.00 0.77 -0.29 8.00 9.92 -1.26 -3.61 116.55 130.08 1ckk n ASP 118 Ca 0.00 0.16 0.08 0.00 -0.53 0.00 0.00 54.79 54.50 1ckk n ASP 118 Cb 0.00 -0.60 0.19 0.00 -0.64 0.00 0.00 41.12 40.07 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ckk h GLU 119 N -0.40 0.07 0.38 -1.24 5.08 -1.98 0.56 114.58 117.06 1ckk h GLU 119 Ca 0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 119 Cb 0.38 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1ckk h GLU 119 CO 0.00 0.05 -0.25 0.93 -1.00 0.00 0.00 179.01 178.74 1ckk h GLU 120 N 0.08 -0.59 -0.98 2.33 5.08 -1.94 0.28 114.58 118.83 1ckk h GLU 120 Ca 0.47 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.97 1ckk h GLU 120 Cb 0.86 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 1ckk h GLU 120 CO -0.76 -0.39 0.63 0.28 -1.00 0.00 0.00 179.01 177.77 1ckk h VAL 121 N -0.61 0.97 -0.36 3.13 2.07 -0.83 0.70 116.25 121.32 1ckk h VAL 121 Ca -0.04 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1ckk h VAL 121 Cb 0.51 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ckk h VAL 121 CO 0.03 0.19 0.04 -0.78 0.02 0.00 0.00 177.57 177.06 1ckk h ASP 122 N 1.02 0.59 -0.05 0.57 3.58 0.66 -2.52 116.42 120.27 1ckk h ASP 122 Ca 0.47 -0.28 -0.15 0.00 0.42 0.00 0.00 57.03 57.48 1ckk h ASP 122 Cb 0.41 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1ckk h ASP 122 CO -0.23 0.72 -0.49 -0.33 -2.88 0.00 0.00 179.24 176.03 1ckk h GLU 123 N 0.44 0.61 -0.83 0.28 5.08 0.67 -1.58 114.58 119.25 1ckk h GLU 123 Ca 0.11 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1ckk h GLU 123 Cb 0.40 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 1ckk h GLU 123 CO 0.01 0.97 0.54 1.98 -1.00 0.00 0.00 179.01 181.51 1ckk h MET 124 N 0.49 0.83 0.03 2.33 4.05 0.55 -0.09 114.93 123.11 1ckk h MET 124 Ca 0.02 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.15 1ckk h MET 124 Cb 1.03 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.62 1ckk h MET 124 CO 0.10 0.55 -1.22 0.82 0.23 0.00 0.00 176.91 177.39 1ckk h ILE 125 N 0.85 1.47 -0.34 1.77 1.08 -1.28 -3.25 117.51 117.81 1ckk h ILE 125 Ca 0.37 -3.18 -0.11 0.00 -0.39 0.00 0.00 64.86 61.55 1ckk h ILE 125 Cb 0.33 2.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.84 1ckk h ILE 125 CO -0.14 0.86 -0.26 -0.09 -0.69 0.00 0.00 178.15 177.83 1ckk h ARG 126 N 0.02 0.68 -0.02 2.37 1.12 -0.27 -0.80 114.38 117.48 1ckk h ARG 126 Ca -0.10 -0.28 -0.09 0.00 -1.11 0.00 0.00 59.98 58.40 1ckk h ARG 126 Cb 1.87 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.79 1ckk h ARG 126 CO 0.13 0.87 -0.42 1.49 -3.11 0.00 0.00 179.97 178.93 1ckk h GLU 127 N 0.59 0.04 0.00 0.20 4.22 -1.14 -2.89 114.58 115.60 1ckk h GLU 127 Ca 0.08 -0.02 -0.22 0.00 0.08 0.00 0.00 59.36 59.28 1ckk h GLU 127 Cb 0.75 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1ckk h GLU 127 CO 0.06 0.46 -1.14 0.00 -2.18 0.00 0.00 179.01 176.21 1ckk h ALA 128 N 1.54 0.50 -0.05 2.92 0.00 -1.53 -3.40 119.26 119.25 1ckk h ALA 128 Ca 0.00 -0.99 -0.51 0.00 0.00 0.00 0.00 54.91 53.41 1ckk h ALA 128 Cb 0.76 0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.66 1ckk h ALA 128 CO 0.06 1.25 1.42 -0.25 0.00 0.00 0.00 179.25 181.73 1ckk n ASP 129 N -3.24 1.62 0.31 0.00 8.00 -0.33 -4.62 116.55 118.29 1ckk n ASP 129 Ca -0.04 -2.56 0.19 0.00 0.71 0.00 0.00 54.79 53.08 1ckk n ASP 129 Cb 0.94 -0.93 1.02 0.00 -0.02 0.00 0.00 41.12 42.13 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 5.17 0.17 0.00 0.53 2.04 -1.83 0.04 117.51 123.64 1ckk h ILE 130 Ca 0.27 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1ckk h ILE 130 Cb 0.75 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1ckk h ILE 130 CO 1.82 0.00 -1.61 -0.90 0.00 0.00 0.00 178.15 177.46 1ckk n ASP 131 N -3.30 0.34 -2.12 1.72 5.75 -1.26 -5.01 116.55 112.66 1ckk n ASP 131 Ca -0.02 -0.23 -0.05 0.00 -0.01 0.00 0.00 54.79 54.49 1ckk n ASP 131 Cb 0.18 1.55 0.02 0.00 -1.03 0.00 0.00 41.12 41.85 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 1.32 0.07 0.48 6.12 0.00 -0.00 -4.97 105.19 108.22 1ckk n GLY 132 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.02 2.18 0.00 1.61 5.68 -1.26 -4.95 116.55 117.79 1ckk n ASP 133 Ca -0.02 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 1ckk n ASP 133 Cb 0.54 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.57 1.09 3.60 6.12 0.00 -1.26 -4.99 105.19 110.32 1ckk n GLY 134 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1ckk n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 135 N -0.27 1.52 -0.06 1.61 -0.21 -1.26 -4.81 119.66 116.18 1ckk s GLN 135 Ca 0.00 -1.10 -0.05 0.00 0.02 0.00 0.00 55.36 54.23 1ckk s GLN 135 Cb 0.00 0.50 -0.04 0.00 1.00 0.00 0.00 33.01 34.47 1ckk s GLN 135 CO 0.00 -0.64 0.16 0.08 -2.12 0.00 0.00 175.29 172.77 1ckk s VAL 136 N -3.96 5.47 0.21 1.09 1.01 -0.86 -4.67 120.40 118.70 1ckk s VAL 136 Ca 0.17 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1ckk s VAL 136 Cb -0.01 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1ckk s VAL 136 CO 0.05 0.47 0.14 -3.20 0.00 0.00 0.00 175.10 172.56 1ckk n ASN 137 N 1.45 1.79 0.06 3.32 5.15 -1.26 0.64 115.26 126.41 1ckk n ASN 137 Ca -0.15 -1.75 -0.12 0.00 -0.60 0.00 0.00 54.58 51.96 1ckk n ASN 137 Cb 0.54 0.01 -0.09 0.00 -0.53 0.00 0.00 39.78 39.71 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 0.63 -0.18 -0.67 1.20 3.20 -1.98 -2.77 116.97 116.40 1ckk h TYR 138 Ca -0.14 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.85 1ckk h TYR 138 Cb 0.49 0.06 -0.13 0.00 1.54 0.00 0.00 36.73 38.70 1ckk h TYR 138 CO 0.00 0.24 -0.29 1.49 -1.64 0.00 0.00 178.16 177.96 1ckk h GLU 139 N -0.69 -0.09 0.55 1.82 4.22 -1.97 -1.19 114.58 117.22 1ckk h GLU 139 Ca -0.02 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 1ckk h GLU 139 Cb 0.50 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1ckk h GLU 139 CO 0.03 -0.06 -0.46 0.93 -2.18 0.00 0.00 179.01 177.27 1ckk h GLU 140 N -0.10 -0.95 -0.70 1.92 5.08 -1.92 1.62 114.58 119.53 1ckk h GLU 140 Ca 0.28 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.91 1ckk h GLU 140 Cb 0.55 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1ckk h GLU 140 CO -0.73 -0.63 0.83 0.35 -1.00 0.00 0.00 179.01 177.83 1ckk h PHE 141 N -0.99 0.00 0.00 4.33 3.04 -0.98 -1.56 116.94 120.78 1ckk h PHE 141 Ca -0.06 0.00 -0.28 0.00 3.98 0.00 0.00 57.97 61.61 1ckk h PHE 141 Cb 0.84 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.31 1ckk h PHE 141 CO -0.20 0.00 -1.93 0.28 -2.02 0.00 0.00 178.31 174.44 1ckk n VAL 142 N -3.43 1.52 0.00 1.41 0.31 -0.32 -4.10 118.33 113.71 1ckk n VAL 142 Ca 0.15 -0.18 0.21 0.00 -0.01 0.00 0.00 64.34 64.52 1ckk n VAL 142 Cb 1.07 -2.07 0.54 0.00 -0.91 0.00 0.00 33.84 32.47 1ckk n VAL 142 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ckk h GLN 143 N -1.00 0.00 0.00 5.55 5.75 0.29 1.60 115.11 127.29 1ckk h GLN 143 Ca -0.42 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 57.98 1ckk h GLN 143 Cb 1.37 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 1ckk h GLN 143 CO -0.26 0.00 -0.73 0.52 -2.65 0.00 0.00 178.83 175.71 1ckk h MET 144 N 0.00 0.00 0.00 1.69 2.86 -1.50 -3.12 114.93 114.86 1ckk h MET 144 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1ckk h MET 144 Cb 1.98 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.64 1ckk h MET 144 CO -0.00 0.31 -1.14 -1.33 1.06 0.00 0.00 176.91 175.80 1ckk n MET 145 N -3.05 0.15 -0.01 1.72 2.81 0.52 -4.40 117.12 114.86 1ckk n MET 145 Ca -0.01 -0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.65 1ckk n MET 145 Cb 0.71 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.58 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 -1.61 1.75 -0.95 2.03 -2.24 0.33 -4.30 114.28 109.30 1ckk n THR 146 Ca 0.03 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.97 1ckk n THR 146 Cb 0.36 -1.66 -0.11 0.00 -2.10 0.00 0.00 70.33 66.82 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 -2.98 6.01 -0.07 6.98 0.00 -1.18 -5.09 120.51 124.17 1ckk n ALA 147 Ca -0.32 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.10 1ckk n ALA 147 Cb 1.05 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13