#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk n ASP 2 N 0.00 6.81 -2.92 0.00 8.00 -1.26 -4.88 116.55 122.30 1ckk n ASP 2 Ca 0.00 -3.53 -0.24 0.00 0.71 0.00 0.00 54.79 51.72 1ckk n ASP 2 Cb 0.00 -1.22 -0.05 0.00 -0.02 0.00 0.00 41.12 39.82 1ckk n ASP 2 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1ckk n GLN 3 N 0.72 2.49 0.00 -1.24 -0.06 -1.26 -4.86 117.38 113.18 1ckk n GLN 3 Ca 0.35 -1.52 0.00 0.00 -2.00 0.00 0.00 57.00 53.83 1ckk n GLN 3 Cb 0.30 -2.41 0.00 0.00 -4.06 0.00 0.00 30.24 24.07 1ckk n GLN 3 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ckk n LEU 4 N 3.54 0.00 -0.00 1.69 4.77 -1.26 -4.78 117.00 120.96 1ckk n LEU 4 Ca 0.53 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 1ckk n LEU 4 Cb 0.33 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1ckk n LEU 4 CO 0.60 0.00 -0.37 1.07 -1.33 0.00 0.00 177.39 177.36 1ckk n THR 5 N 0.00 0.00 0.16 -5.08 5.66 -1.26 -4.45 114.28 109.30 1ckk n THR 5 Ca 0.00 -0.25 0.13 0.00 -3.05 0.00 0.00 64.05 60.88 1ckk n THR 5 Cb 0.00 0.57 0.67 0.00 -1.55 0.00 0.00 70.33 70.02 1ckk n THR 5 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ckk h GLU 6 N 0.00 0.00 -0.86 1.09 4.81 -2.01 -2.38 114.58 115.23 1ckk h GLU 6 Ca 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 1ckk h GLU 6 Cb 0.45 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.67 1ckk h GLU 6 CO 0.00 0.00 -0.05 1.49 -0.73 0.00 0.00 179.01 179.72 1ckk h GLU 7 N 0.00 0.05 -0.49 1.92 4.57 -1.97 0.82 114.58 119.48 1ckk h GLU 7 Ca 0.10 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.33 1ckk h GLU 7 Cb 0.42 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 1ckk h GLU 7 CO -0.00 0.03 0.24 1.96 -1.18 0.00 0.00 179.01 180.06 1ckk h GLN 8 N 0.05 0.45 0.17 1.92 1.08 -1.76 0.97 115.11 117.99 1ckk h GLN 8 Ca 0.47 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.63 1ckk h GLN 8 Cb 0.84 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1ckk h GLN 8 CO -0.81 0.30 -0.08 0.82 -0.95 0.00 0.00 178.83 178.11 1ckk h ILE 9 N 0.46 0.95 -0.98 2.54 2.04 0.17 -1.85 117.51 120.84 1ckk h ILE 9 Ca 0.22 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.50 1ckk h ILE 9 Cb 0.15 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.50 1ckk h ILE 9 CO -0.17 0.15 0.63 0.00 0.00 0.00 0.00 178.15 178.77 1ckk h ALA 10 N 0.20 1.45 -0.17 1.87 0.00 0.61 -0.17 119.26 123.05 1ckk h ALA 10 Ca -0.02 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ckk h ALA 10 Cb 0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ckk h ALA 10 CO 0.04 0.38 0.02 1.49 0.00 0.00 0.00 179.25 181.18 1ckk h GLU 11 N 1.11 0.09 -0.70 0.00 4.57 0.12 -1.11 114.58 118.65 1ckk h GLU 11 Ca 0.43 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1ckk h GLU 11 Cb 0.23 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1ckk h GLU 11 CO -0.18 0.06 0.40 0.74 -1.18 0.00 0.00 179.01 178.84 1ckk h PHE 12 N 0.09 0.93 -0.82 0.92 0.04 -0.43 -1.43 116.94 116.24 1ckk h PHE 12 Ca 0.08 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.90 1ckk h PHE 12 Cb 0.08 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 37.87 1ckk h PHE 12 CO -0.14 0.64 0.50 -0.22 -0.60 0.00 0.00 178.31 178.49 1ckk h LYS 13 N 0.97 0.89 -0.62 1.51 3.64 0.08 0.32 116.57 123.36 1ckk h LYS 13 Ca 0.25 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1ckk h LYS 13 Cb -0.00 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1ckk h LYS 13 CO -0.04 0.59 0.25 0.93 -2.27 0.00 0.00 179.45 178.91 1ckk h GLU 14 N 0.92 0.92 -0.15 1.90 4.39 -0.20 -1.77 114.58 120.59 1ckk h GLU 14 Ca 0.36 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1ckk h GLU 14 Cb 0.16 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ckk h GLU 14 CO -0.17 0.78 0.04 0.00 -1.16 0.00 0.00 179.01 178.51 1ckk h ALA 15 N 1.10 0.20 -0.40 3.43 0.00 -0.56 0.19 119.26 123.21 1ckk h ALA 15 Ca 0.21 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1ckk h ALA 15 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ckk h ALA 15 CO -0.02 -0.18 0.35 0.35 0.00 0.00 0.00 179.25 179.75 1ckk h PHE 16 N 0.06 0.00 0.15 0.00 3.04 -0.18 0.66 116.94 120.68 1ckk h PHE 16 Ca 0.05 0.00 -0.32 0.00 3.98 0.00 0.00 57.97 61.68 1ckk h PHE 16 Cb 0.23 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1ckk h PHE 16 CO 0.00 0.00 -1.58 1.03 -2.02 0.00 0.00 178.31 175.74 1ckk h SER 17 N 0.00 0.50 -0.97 0.41 0.87 -0.41 -2.84 113.55 111.11 1ckk h SER 17 Ca 0.19 -0.68 0.22 0.00 -1.23 0.00 0.00 61.79 60.29 1ckk h SER 17 Cb 0.89 -0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.60 1ckk h SER 17 CO -0.00 1.56 0.62 0.25 -0.53 0.00 0.00 176.83 178.73 1ckk h LEU 18 N 0.09 0.52 0.22 2.23 6.46 0.17 -0.48 115.31 124.53 1ckk h LEU 18 Ca -0.27 0.07 -0.34 0.00 -0.12 0.00 0.00 57.88 57.21 1ckk h LEU 18 Cb 2.05 -0.03 0.02 0.00 -0.73 0.00 0.00 40.66 41.98 1ckk h LEU 18 CO 0.18 0.18 -1.62 -0.26 -0.62 0.00 0.00 178.44 176.30 1ckk h PHE 19 N 0.50 0.85 -1.20 1.25 0.04 -1.56 -3.41 116.94 113.40 1ckk h PHE 19 Ca 0.53 -0.62 -0.46 0.00 2.80 0.00 0.00 57.97 60.22 1ckk h PHE 19 Cb 1.19 -0.03 -0.07 0.00 2.20 0.00 0.00 35.95 39.24 1ckk h PHE 19 CO -0.00 1.61 1.14 0.34 -0.60 0.00 0.00 178.31 180.80 1ckk s ASP 20 N -7.43 5.79 0.37 2.17 2.15 -0.19 -4.64 116.67 114.90 1ckk s ASP 20 Ca -0.12 -0.83 0.09 0.00 0.43 0.00 0.00 52.55 52.12 1ckk s ASP 20 Cb 0.05 -2.56 0.73 0.00 -0.30 0.00 0.00 42.92 40.84 1ckk s ASP 20 CO 0.90 -2.13 1.87 0.11 -0.17 0.00 0.00 175.17 175.76 1ckk h LYS 21 N 11.01 0.22 0.00 4.34 1.79 -1.81 -2.97 116.57 129.15 1ckk h LYS 21 Ca 0.05 -0.06 -0.28 0.00 -2.18 0.00 0.00 60.65 58.18 1ckk h LYS 21 Cb 1.03 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.61 1ckk h LYS 21 CO 1.30 0.41 -1.70 -0.40 -1.08 0.00 0.00 179.45 177.99 1ckk n ASP 22 N -4.22 0.86 -1.85 0.86 5.75 -1.26 -5.03 116.55 111.65 1ckk n ASP 22 Ca -0.01 0.41 -0.00 0.00 -0.01 0.00 0.00 54.79 55.17 1ckk n ASP 22 Cb 0.31 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 23 N 1.54 -0.54 0.00 6.12 0.00 -1.12 -5.01 105.19 106.18 1ckk n GLY 23 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.12 4.95 0.00 1.61 5.75 -1.26 -5.01 116.55 121.47 1ckk n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckk n ASP 24 Cb 0.47 0.76 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 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 2.70 1.42 2.87 6.12 0.00 -1.26 -5.09 105.19 111.95 1ckk n GLY 25 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.48 -0.10 2.61 -4.23 -1.25 -3.75 115.64 107.40 1ckk s THR 26 Ca 0.00 -0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.29 1ckk s THR 26 Cb 0.00 -0.53 -0.05 0.00 1.34 0.00 0.00 72.50 73.26 1ckk s THR 26 CO 0.00 0.22 0.38 -0.63 -0.54 0.00 0.00 174.62 174.06 1ckk s ILE 27 N 1.11 5.19 0.11 2.99 1.01 -0.93 -4.79 121.20 125.89 1ckk s ILE 27 Ca -0.08 0.75 -0.00 0.00 0.00 0.00 0.00 60.65 61.32 1ckk s ILE 27 Cb -0.14 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.65 1ckk s ILE 27 CO -0.01 0.43 0.15 0.35 0.00 0.00 0.00 174.94 175.86 1ckk n THR 28 N 3.03 0.00 0.07 2.92 -2.24 -1.26 -2.25 114.28 114.54 1ckk n THR 28 Ca -0.11 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 1ckk n THR 28 Cb 0.52 -1.41 -0.14 0.00 -2.10 0.00 0.00 70.33 67.20 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 -0.52 1.21 -0.27 4.28 1.35 -1.97 -3.32 112.91 113.68 1ckk h THR 29 Ca -0.05 -2.84 -0.12 0.00 -0.55 0.00 0.00 66.41 62.85 1ckk h THR 29 Cb 0.17 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 69.37 1ckk h THR 29 CO 0.05 0.83 -0.33 0.50 -0.25 0.00 0.00 175.52 176.32 1ckk h LYS 30 N 0.07 0.57 0.32 4.72 1.63 -1.99 -2.72 116.57 119.16 1ckk h LYS 30 Ca -0.22 -0.25 -0.00 0.00 -0.85 0.00 0.00 60.65 59.32 1ckk h LYS 30 Cb 2.01 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.61 1ckk h LYS 30 CO 0.17 0.82 -0.30 0.93 -3.45 0.00 0.00 179.45 177.62 1ckk h GLU 31 N 0.48 -0.62 -0.99 1.90 5.08 -1.90 -1.71 114.58 116.83 1ckk h GLU 31 Ca 0.06 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1ckk h GLU 31 Cb 0.80 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1ckk h GLU 31 CO 0.07 -0.41 0.65 1.25 -1.00 0.00 0.00 179.01 179.56 1ckk h LEU 32 N -0.64 1.08 -0.73 1.33 5.85 -1.65 -1.97 115.31 118.59 1ckk h LEU 32 Ca -0.02 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.76 1ckk h LEU 32 Cb 0.58 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1ckk h LEU 32 CO -0.04 0.75 0.41 1.23 -0.34 0.00 0.00 178.44 180.45 1ckk h GLY 33 N 1.26 1.09 0.84 3.75 0.00 -1.11 0.72 103.07 109.63 1ckk h GLY 33 Ca 0.39 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 1ckk h GLY 33 CO -0.11 0.15 -0.26 -0.84 0.00 0.00 0.00 176.54 175.48 1ckk h THR 34 N 0.74 0.40 -0.29 4.70 2.02 -0.57 -2.12 112.91 117.78 1ckk h THR 34 Ca 0.33 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.35 1ckk h THR 34 Cb 0.24 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1ckk h THR 34 CO -0.20 0.04 0.27 0.58 0.37 0.00 0.00 175.52 176.58 1ckk h VAL 35 N -0.91 0.55 -0.35 3.16 2.07 -1.18 -0.21 116.25 119.37 1ckk h VAL 35 Ca -0.08 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 1ckk h VAL 35 Cb 0.63 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1ckk h VAL 35 CO 0.12 0.00 -0.34 0.24 0.02 0.00 0.00 177.57 177.62 1ckk h MET 36 N 0.00 0.84 0.00 1.57 2.86 -0.35 -2.92 114.93 116.93 1ckk h MET 36 Ca 0.14 -0.44 -0.06 0.00 -2.06 0.00 0.00 59.70 57.28 1ckk h MET 36 Cb 0.69 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1ckk h MET 36 CO -0.00 1.08 -0.27 0.00 1.06 0.00 0.00 176.91 178.78 1ckk h ARG 37 N 0.63 0.00 0.29 1.72 3.08 -0.40 -3.06 114.38 116.64 1ckk h ARG 37 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ckk h ARG 37 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1ckk h ARG 37 CO 0.08 0.27 -0.31 0.66 -1.07 0.00 0.00 179.97 179.61 1ckk h SER 38 N 0.00 -0.83 -0.97 7.04 4.64 -1.26 -2.09 113.55 120.07 1ckk h SER 38 Ca -0.00 0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.51 1ckk h SER 38 Cb 0.50 0.29 -0.08 0.00 -0.31 0.00 0.00 62.40 62.80 1ckk h SER 38 CO 0.04 -0.44 0.62 -0.07 -0.87 0.00 0.00 176.83 176.11 1ckk h LEU 39 N -0.64 0.87 0.00 5.97 3.38 -1.57 -3.45 115.31 119.87 1ckk h LEU 39 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ckk h LEU 39 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ckk h LEU 39 CO -0.07 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1ckk n GLY 40 N -1.37 0.35 3.08 0.83 0.00 -0.79 -4.99 105.19 102.30 1ckk n GLY 40 Ca 0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 0.51 -0.75 1.61 -0.21 -1.17 -5.02 119.66 114.63 1ckk s GLN 41 Ca 0.00 -0.75 0.03 0.00 0.02 0.00 0.00 55.36 54.66 1ckk s GLN 41 Cb 0.00 0.19 0.18 0.00 1.00 0.00 0.00 33.01 34.39 1ckk s GLN 41 CO 0.00 -0.11 0.56 1.21 -2.12 0.00 0.00 175.29 174.83 1ckk s ASN 42 N -2.01 5.11 0.43 5.90 2.47 -1.26 -3.90 114.94 121.68 1ckk s ASN 42 Ca -0.07 -3.82 -0.23 0.00 0.42 0.00 0.00 52.86 49.15 1ckk s ASN 42 Cb -0.03 -1.70 -0.08 0.00 -1.45 0.00 0.00 41.25 37.99 1ckk s ASN 42 CO -0.04 -0.11 1.09 -2.16 -3.72 0.00 0.00 177.10 172.16 1ckk s PRO 43 N -1.43 4.00 0.00 0.43 0.04 -1.26 -5.06 135.00 131.72 1ckk s PRO 43 Ca 0.25 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ckk s PRO 43 Cb -0.05 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1ckk s PRO 43 CO -0.16 -0.30 0.00 -2.37 0.04 0.00 0.00 177.00 174.21 1ckk n THR 44 N -0.27 0.00 -0.09 1.26 5.66 -1.26 -4.95 114.28 114.63 1ckk n THR 44 Ca 0.06 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.90 1ckk n THR 44 Cb 0.49 -0.38 -0.09 0.00 -1.55 0.00 0.00 70.33 68.80 1ckk n THR 44 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ckk h GLU 45 N 0.00 0.00 -0.97 1.09 4.81 -2.00 -3.19 114.58 114.33 1ckk h GLU 45 Ca 0.00 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1ckk h GLU 45 Cb 0.00 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 1ckk h GLU 45 CO 0.00 0.77 0.61 0.00 -0.73 0.00 0.00 179.01 179.67 1ckk h ALA 46 N -0.50 1.36 0.43 2.92 0.00 -2.00 -2.73 119.26 118.74 1ckk h ALA 46 Ca -0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1ckk h ALA 46 Cb 1.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ckk h ALA 46 CO -0.12 0.36 -0.21 0.93 0.00 0.00 0.00 179.25 180.22 1ckk h GLU 47 N 1.09 -0.56 -0.76 0.00 5.08 -1.97 -1.80 114.58 115.67 1ckk h GLU 47 Ca 0.43 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.96 1ckk h GLU 47 Cb 0.22 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.46 1ckk h GLU 47 CO -0.19 -0.29 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.16 1ckk h LEU 48 N -0.77 -1.09 -1.39 1.33 3.38 -1.48 0.95 115.31 116.25 1ckk h LEU 48 Ca -0.06 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.17 1ckk h LEU 48 Cb 0.53 0.59 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1ckk h LEU 48 CO 0.10 -0.29 0.42 -0.61 0.09 0.00 0.00 178.44 178.15 1ckk h GLN 49 N -0.07 0.82 -0.33 1.13 5.75 -1.41 0.98 115.11 121.97 1ckk h GLN 49 Ca 0.31 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.64 1ckk h GLN 49 Cb 0.57 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1ckk h GLN 49 CO -0.80 0.54 -0.26 0.22 -2.65 0.00 0.00 178.83 175.88 1ckk h ASP 50 N 0.85 0.81 -0.16 -0.69 1.82 0.15 -1.32 116.42 117.88 1ckk h ASP 50 Ca 0.23 -0.45 -0.11 0.00 -0.39 0.00 0.00 57.03 56.31 1ckk h ASP 50 Cb -0.09 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.68 1ckk h ASP 50 CO -0.05 1.09 -0.26 -0.03 -1.61 0.00 0.00 179.24 178.37 1ckk h MET 51 N 0.54 0.63 0.00 0.28 4.05 0.60 -2.48 114.93 118.55 1ckk h MET 51 Ca 0.06 -0.26 -0.02 0.00 -0.28 0.00 0.00 59.70 59.20 1ckk h MET 51 Cb 0.83 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1ckk h MET 51 CO 0.07 0.83 -0.10 0.82 0.23 0.00 0.00 176.91 178.76 1ckk h ILE 52 N 0.55 0.22 0.33 1.77 1.08 -0.70 -3.27 117.51 117.49 1ckk h ILE 52 Ca 0.07 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.62 1ckk h ILE 52 Cb 0.74 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1ckk h ILE 52 CO 0.06 0.10 -0.16 0.78 -0.69 0.00 0.00 178.15 178.24 1ckk h ASN 53 N 0.00 -0.37 -1.42 1.72 -0.26 -0.76 0.43 115.58 114.92 1ckk h ASN 53 Ca -0.00 -0.15 0.47 0.00 -0.56 0.00 0.00 56.30 56.05 1ckk h ASN 53 Cb 0.74 0.10 -0.13 0.00 -1.06 0.00 0.00 38.32 37.97 1ckk h ASN 53 CO 0.01 -0.03 0.93 -0.08 -1.06 0.00 0.00 177.43 177.21 1ckk h GLU 54 N -0.75 0.04 0.02 0.81 4.57 -1.59 0.19 114.58 117.86 1ckk h GLU 54 Ca -0.04 -0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.77 1ckk h GLU 54 Cb 0.50 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 1ckk h GLU 54 CO 0.07 0.03 -2.24 0.28 -1.18 0.00 0.00 179.01 175.97 1ckk n VAL 55 N -4.63 1.53 -1.48 0.32 0.31 -1.13 -4.81 118.33 108.44 1ckk n VAL 55 Ca 0.39 -0.72 -0.16 0.00 -0.01 0.00 0.00 64.34 63.85 1ckk n VAL 55 Cb 1.55 -1.09 -0.14 0.00 -0.91 0.00 0.00 33.84 33.26 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 -3.09 -0.02 0.08 4.52 2.03 0.15 -4.67 116.55 115.56 1ckk n ASP 56 Ca -0.34 -1.17 -0.11 0.00 0.52 0.00 0.00 54.79 53.68 1ckk n ASP 56 Cb 1.07 -1.08 -0.13 0.00 -0.72 0.00 0.00 41.12 40.26 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 11.52 0.23 0.00 -1.67 0.00 -1.87 -3.34 119.26 124.12 1ckk h ALA 57 Ca 0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 1ckk h ALA 57 Cb 1.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1ckk h ALA 57 CO 1.27 1.12 -0.28 -0.44 0.00 0.00 0.00 179.25 180.92 1ckk h ASP 58 N 0.04 0.24 0.00 0.00 3.32 -1.91 -3.48 116.42 114.63 1ckk h ASP 58 Ca -0.07 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1ckk h ASP 58 Cb 1.87 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.34 1ckk h ASP 58 CO 0.17 1.00 0.00 0.61 -1.72 0.00 0.00 179.24 179.30 1ckk n GLY 59 N 1.10 0.65 0.09 2.75 0.00 -1.26 -4.99 105.19 103.53 1ckk n GLY 59 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.12 0.00 1.61 7.08 -1.93 -3.48 115.58 118.98 1ckk h ASN 60 Ca 0.00 -0.24 0.00 0.00 -3.08 0.00 0.00 56.30 52.98 1ckk h ASN 60 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.20 1ckk h ASN 60 CO 0.00 1.21 0.00 0.61 -2.08 0.00 0.00 177.43 177.17 1ckk n GLY 61 N 1.63 1.33 3.78 9.14 0.00 -1.26 -5.09 105.19 114.72 1ckk n GLY 61 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.65 3.25 -0.24 2.61 -4.23 -1.26 -4.77 115.64 109.34 1ckk s THR 62 Ca 0.00 0.72 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 1ckk s THR 62 Cb 0.00 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 1ckk s THR 62 CO 0.00 -0.23 0.13 -0.63 -0.54 0.00 0.00 174.62 173.35 1ckk s ILE 63 N -1.96 4.94 0.21 2.99 -1.09 -0.95 -4.76 121.20 120.58 1ckk s ILE 63 Ca 0.71 0.04 0.03 0.00 -2.23 0.00 0.00 60.65 59.19 1ckk s ILE 63 Cb -0.22 -3.31 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 1ckk s ILE 63 CO 0.30 0.33 0.35 -0.62 -1.23 0.00 0.00 174.94 174.08 1ckk s ASP 64 N 1.31 6.33 0.25 3.58 2.15 -1.26 -2.18 116.67 126.85 1ckk s ASP 64 Ca 0.06 0.17 -0.04 0.00 0.43 0.00 0.00 52.55 53.17 1ckk s ASP 64 Cb -0.15 -1.91 0.49 0.00 -0.30 0.00 0.00 42.92 41.05 1ckk s ASP 64 CO 0.06 -0.04 1.68 0.15 -0.17 0.00 0.00 175.17 176.84 1ckk h PHE 65 N 1.56 0.28 -0.06 -5.34 3.57 -1.99 0.12 116.94 115.07 1ckk h PHE 65 Ca -0.50 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 60.82 1ckk h PHE 65 Cb 1.21 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.95 1ckk h PHE 65 CO 0.49 -0.10 -0.86 -1.00 -2.23 0.00 0.00 178.31 174.61 1ckk h PRO 66 N 0.26 0.56 -0.47 6.41 0.13 -1.94 -2.80 132.00 134.15 1ckk h PRO 66 Ca 0.43 -0.52 0.09 0.00 -0.87 0.00 0.00 66.00 65.13 1ckk h PRO 66 Cb 0.75 0.13 -0.08 0.00 0.13 0.00 0.00 31.00 31.93 1ckk h PRO 66 CO -0.53 1.15 -0.04 1.49 -0.23 0.00 0.00 178.00 179.84 1ckk h GLU 67 N 0.35 0.07 -0.19 0.86 4.81 -1.38 -0.78 114.58 118.32 1ckk h GLU 67 Ca -0.07 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1ckk h GLU 67 Cb 1.48 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 1ckk h GLU 67 CO 0.16 0.05 -0.14 0.35 -0.73 0.00 0.00 179.01 178.70 1ckk h PHE 68 N 0.07 0.50 0.00 0.92 3.57 -1.34 -2.64 116.94 118.03 1ckk h PHE 68 Ca 0.23 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1ckk h PHE 68 Cb 0.35 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1ckk h PHE 68 CO -0.33 0.76 0.00 1.28 -2.23 0.00 0.00 178.31 177.79 1ckk n LEU 69 N -4.52 0.30 -0.08 0.59 4.32 -0.84 -2.30 117.00 114.46 1ckk n LEU 69 Ca -0.05 0.64 -0.22 0.00 -0.02 0.00 0.00 56.01 56.36 1ckk n LEU 69 Cb 0.36 -0.68 -0.12 0.00 -1.62 0.00 0.00 43.42 41.36 1ckk n LEU 69 CO 0.40 -0.74 -1.08 0.41 -1.22 0.00 0.00 177.39 175.16 1ckk n THR 70 N -1.90 1.60 -0.29 -5.08 -1.04 -0.36 -4.39 114.28 102.81 1ckk n THR 70 Ca -0.01 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.05 61.46 1ckk n THR 70 Cb 0.02 -1.69 0.08 0.00 -1.82 0.00 0.00 70.33 66.92 1ckk n THR 70 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1ckk h MET 71 N -0.30 1.19 0.00 -2.82 -1.53 -1.12 -2.01 114.93 108.35 1ckk h MET 71 Ca -0.52 -0.20 0.00 0.00 -3.44 0.00 0.00 59.70 55.54 1ckk h MET 71 Cb 1.81 -0.20 0.00 0.00 -0.55 0.00 0.00 31.60 32.66 1ckk h MET 71 CO -0.11 0.95 0.00 -0.12 0.14 0.00 0.00 176.91 177.77 1ckk n MET 72 N -4.29 0.00 -0.01 0.39 0.00 -1.07 -1.64 117.12 110.51 1ckk n MET 72 Ca 0.08 0.45 0.09 0.00 0.00 0.00 0.00 57.70 58.32 1ckk n MET 72 Cb 0.17 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 31.75 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 -1.49 2.96 -0.04 -5.12 0.00 -0.76 -4.48 120.51 111.58 1ckk n ALA 73 Ca 0.01 -0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.02 1ckk n ALA 73 Cb 0.02 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.04 0.67 -1.31 0.00 3.00 -0.65 -4.39 116.66 111.94 1ckk n ARG 74 Ca -0.02 -0.13 -0.32 0.00 -0.00 0.00 0.00 57.85 57.38 1ckk n ARG 74 Cb 0.46 -1.52 0.07 0.00 0.00 0.00 0.00 32.46 31.46 1ckk n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1ckk n LYS 75 N -2.44 2.54 0.00 -0.14 4.81 -0.78 -4.45 118.16 117.69 1ckk n LYS 75 Ca -0.15 -2.99 0.00 0.00 -0.87 0.00 0.00 58.31 54.30 1ckk n LYS 75 Cb 0.79 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1ckk n MET 76 N -0.63 0.00 -1.34 1.64 2.81 -1.26 -4.62 117.12 113.73 1ckk n MET 76 Ca 0.56 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 56.14 1ckk n MET 76 Cb 0.61 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.22 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 0.00 2.63 -0.06 0.03 4.81 -1.26 -2.62 118.16 121.69 1ckk n LYS 77 Ca 0.00 -3.28 -0.04 0.00 -0.87 0.00 0.00 58.31 54.11 1ckk n LYS 77 Cb 0.00 -2.25 -0.12 0.00 0.02 0.00 0.00 35.03 32.68 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 -0.96 1.38 0.00 3.14 9.92 -1.26 -4.93 116.55 123.84 1ckk n ASP 78 Ca 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1ckk n ASP 78 Cb 0.91 1.02 0.00 0.00 -0.64 0.00 0.00 41.12 42.42 1ckk n ASP 78 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1ckk n THR 79 N -2.45 0.00 -2.88 -3.53 -1.04 -1.26 -4.99 114.28 98.13 1ckk n THR 79 Ca -0.20 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.48 1ckk n THR 79 Cb 0.87 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.36 1ckk n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ckk n ASP 80 N -0.92 5.61 -0.05 8.00 2.03 -1.26 -4.75 116.55 125.20 1ckk n ASP 80 Ca 0.00 -3.65 -0.04 0.00 0.52 0.00 0.00 54.79 51.62 1ckk n ASP 80 Cb 0.00 -0.84 -0.01 0.00 -0.72 0.00 0.00 41.12 39.55 1ckk n ASP 80 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ckk n SER 81 N 0.03 1.26 0.10 1.67 2.88 -1.08 -4.03 113.62 114.44 1ckk n SER 81 Ca 0.36 0.39 0.07 0.00 -1.33 0.00 0.00 58.87 58.36 1ckk n SER 81 Cb 0.34 -0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 63.08 1ckk n SER 81 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1ckk h GLU 82 N -0.68 0.00 -0.10 -1.46 4.11 -1.87 -3.35 114.58 111.24 1ckk h GLU 82 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 1ckk h GLU 82 Cb 0.48 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1ckk h GLU 82 CO 0.00 0.15 -0.16 0.93 0.07 0.00 0.00 179.01 180.00 1ckk h GLU 83 N 0.00 0.29 -0.01 1.06 5.08 -1.85 -2.88 114.58 116.27 1ckk h GLU 83 Ca -0.05 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1ckk h GLU 83 Cb 1.24 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ckk h GLU 83 CO 0.02 0.75 0.08 1.05 -1.00 0.00 0.00 179.01 179.91 1ckk h GLU 84 N -0.15 0.00 -0.19 2.33 4.11 -1.70 -1.29 114.58 117.69 1ckk h GLU 84 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.36 1ckk h GLU 84 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ckk h GLU 84 CO 0.04 0.00 -0.19 0.82 0.07 0.00 0.00 179.01 179.75 1ckk h ILE 85 N 0.00 1.33 -0.45 -1.06 2.04 -1.63 -1.81 117.51 115.93 1ckk h ILE 85 Ca 0.01 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.61 1ckk h ILE 85 Cb 0.16 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1ckk h ILE 85 CO -0.00 0.41 0.31 -0.09 0.00 0.00 0.00 178.15 178.77 1ckk h ARG 86 N 0.11 0.22 0.31 2.37 2.43 -1.26 -0.30 114.38 118.27 1ckk h ARG 86 Ca 0.03 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1ckk h ARG 86 Cb 0.73 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1ckk h ARG 86 CO 0.05 0.14 -0.15 0.93 -1.51 0.00 0.00 179.97 179.43 1ckk h GLU 87 N 0.22 -0.40 -0.13 0.20 4.39 -1.37 -2.38 114.58 115.12 1ckk h GLU 87 Ca 0.21 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.97 1ckk h GLU 87 Cb 0.52 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1ckk h GLU 87 CO -0.04 -0.08 0.30 0.00 -1.16 0.00 0.00 179.01 178.03 1ckk h ALA 88 N -0.58 1.57 0.27 3.43 0.00 -0.77 -1.38 119.26 121.80 1ckk h ALA 88 Ca -0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ckk h ALA 88 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ckk h ALA 88 CO 0.07 -0.37 -0.13 0.35 0.00 0.00 0.00 179.25 179.17 1ckk h PHE 89 N 0.00 -0.34 -1.02 0.00 3.57 -0.80 -1.54 116.94 116.82 1ckk h PHE 89 Ca 0.06 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.80 1ckk h PHE 89 Cb 0.66 0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.41 1ckk h PHE 89 CO 0.00 -0.21 0.63 -0.09 -2.23 0.00 0.00 178.31 176.41 1ckk h ARG 90 N -0.73 0.51 -0.39 1.11 9.65 -0.90 0.90 114.38 124.54 1ckk h ARG 90 Ca -0.04 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 1ckk h ARG 90 Cb 0.28 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1ckk h ARG 90 CO 0.06 0.34 0.04 0.28 2.80 0.00 0.00 179.97 183.49 1ckk h VAL 91 N 0.53 1.20 -0.14 0.20 2.07 -1.27 -2.40 116.25 116.44 1ckk h VAL 91 Ca 0.61 -0.77 -0.19 0.00 0.82 0.00 0.00 66.70 67.17 1ckk h VAL 91 Cb 1.29 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1ckk h VAL 91 CO -0.38 0.27 -0.68 -0.26 0.02 0.00 0.00 177.57 176.54 1ckk h PHE 92 N 0.58 0.75 -2.38 1.57 -1.00 0.18 -3.29 116.94 113.34 1ckk h PHE 92 Ca 0.13 -0.31 -0.81 0.00 2.81 0.00 0.00 57.97 59.79 1ckk h PHE 92 Cb 0.31 -0.12 -0.27 0.00 3.61 0.00 0.00 35.95 39.47 1ckk h PHE 92 CO 0.01 1.08 1.00 -3.47 -1.61 0.00 0.00 178.31 175.32 1ckk n ASP 93 N -3.90 7.17 -0.30 2.17 -0.08 -0.12 -4.12 116.55 117.37 1ckk n ASP 93 Ca -0.05 -3.63 -0.04 0.00 -1.51 0.00 0.00 54.79 49.57 1ckk n ASP 93 Cb 0.69 -1.19 0.02 0.00 2.34 0.00 0.00 41.12 42.97 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ckk h LYS 94 N 4.48 -0.08 -0.11 -0.67 3.11 -1.61 1.82 116.57 123.51 1ckk h LYS 94 Ca 0.47 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.34 1ckk h LYS 94 Cb 0.38 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1ckk h LYS 94 CO 1.22 -0.05 0.10 0.38 -2.81 0.00 0.00 179.45 178.28 1ckk h ASP 95 N -0.08 0.00 -5.36 4.20 3.04 -1.88 -3.46 116.42 112.88 1ckk h ASP 95 Ca 0.28 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.83 1ckk h ASP 95 Cb 0.57 0.00 0.19 0.00 -1.04 0.00 0.00 39.33 39.05 1ckk h ASP 95 CO -0.84 0.00 -0.82 0.61 -2.04 0.00 0.00 179.24 176.15 1ckk n GLY 96 N -1.45 -1.02 0.13 7.15 0.00 0.62 -4.96 105.19 105.66 1ckk n GLY 96 Ca -0.00 0.52 -0.21 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.15 2.00 0.00 1.61 6.94 -1.26 -5.03 115.26 116.37 1ckk n ASN 97 Ca -0.08 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.49 1ckk n ASN 97 Cb 0.62 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 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 2.03 1.46 3.50 4.83 0.00 -1.26 -5.15 105.19 110.61 1ckk n GLY 98 Ca -0.45 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 2.20 -0.95 1.61 1.51 -1.26 -4.18 117.35 116.28 1ckk s TYR 99 Ca 0.00 -0.67 -0.09 0.00 -1.01 0.00 0.00 57.07 55.30 1ckk s TYR 99 Cb 0.00 -1.35 0.24 0.00 -0.11 0.00 0.00 41.96 40.74 1ckk s TYR 99 CO 0.00 0.37 0.89 0.42 -1.11 0.00 0.00 175.55 176.12 1ckk s ILE 100 N -2.87 5.43 0.74 2.71 1.01 0.40 -4.87 121.20 123.76 1ckk s ILE 100 Ca 0.32 -3.15 -0.11 0.00 0.00 0.00 0.00 60.65 57.72 1ckk s ILE 100 Cb 0.05 -4.32 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1ckk s ILE 100 CO 0.15 -1.09 1.08 -0.55 0.00 0.00 0.00 174.94 174.52 1ckk s SER 101 N 1.31 4.93 0.63 3.58 0.15 -1.26 -2.28 113.70 120.76 1ckk s SER 101 Ca 0.25 1.56 0.28 0.00 0.70 0.00 0.00 55.95 58.74 1ckk s SER 101 Cb -0.10 -2.37 1.53 0.00 -1.71 0.00 0.00 66.02 63.37 1ckk s SER 101 CO -0.09 -1.72 1.85 0.00 1.20 0.00 0.00 173.24 174.48 1ckk h ALA 102 N -0.91 1.32 0.06 5.45 0.00 -1.92 0.47 119.26 123.72 1ckk h ALA 102 Ca -0.45 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1ckk h ALA 102 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ckk h ALA 102 CO 0.56 -0.32 -1.08 0.00 0.00 0.00 0.00 179.25 178.42 1ckk h ALA 103 N 1.33 0.27 -0.40 0.00 0.00 -1.99 -2.68 119.26 115.79 1ckk h ALA 103 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 53.98 1ckk h ALA 103 Cb 0.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ckk h ALA 103 CO 0.00 1.01 -0.11 0.93 0.00 0.00 0.00 179.25 181.09 1ckk h GLU 104 N 0.07 0.78 -0.63 0.00 3.07 -0.34 -1.89 114.58 115.64 1ckk h GLU 104 Ca -0.08 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 1ckk h GLU 104 Cb 1.79 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.63 1ckk h GLU 104 CO 0.17 0.92 0.26 -0.07 -1.40 0.00 0.00 179.01 178.89 1ckk h LEU 105 N 0.59 0.87 -2.03 1.33 3.38 -1.52 -1.45 115.31 116.48 1ckk h LEU 105 Ca 0.10 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ckk h LEU 105 Cb 0.63 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1ckk h LEU 105 CO 0.04 0.79 -0.08 -0.09 0.09 0.00 0.00 178.44 179.19 1ckk h ARG 106 N 0.88 0.00 -0.05 1.13 2.43 -1.27 0.19 114.38 117.70 1ckk h ARG 106 Ca 0.21 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1ckk h ARG 106 Cb 0.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ckk h ARG 106 CO -0.02 0.08 -0.05 1.25 -1.51 0.00 0.00 179.97 179.72 1ckk h HIS 107 N 0.00 0.15 -0.01 2.20 2.76 -0.44 -3.10 115.15 116.72 1ckk h HIS 107 Ca -0.00 -0.05 -0.16 0.00 -2.20 0.00 0.00 60.37 57.97 1ckk h HIS 107 Cb 0.19 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1ckk h HIS 107 CO 0.00 0.59 -0.72 -0.24 -1.30 0.00 0.00 177.93 176.26 1ckk h VAL 108 N -0.33 1.49 0.00 5.26 3.04 -1.12 -3.24 116.25 121.34 1ckk h VAL 108 Ca 0.01 -2.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.31 1ckk h VAL 108 Cb 0.56 2.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 1ckk h VAL 108 CO 0.01 0.69 0.00 0.80 -1.01 0.00 0.00 177.57 178.06 1ckk n MET 109 N -3.72 0.00 0.01 4.17 0.00 0.64 -1.47 117.12 116.75 1ckk n MET 109 Ca -0.02 0.68 0.23 0.00 0.00 0.00 0.00 57.70 58.59 1ckk n MET 109 Cb 0.70 -1.48 0.72 0.00 0.00 0.00 0.00 33.22 33.16 1ckk n MET 109 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1ckk h THR 110 N 0.00 0.40 0.00 1.12 2.02 -1.52 0.76 112.91 115.69 1ckk h THR 110 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ckk h THR 110 Cb 0.00 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1ckk h THR 110 CO 0.00 0.00 0.00 0.78 0.37 0.00 0.00 175.52 176.67 1ckk h ASN 111 N 0.00 0.00 0.00 4.18 -0.26 -1.28 -3.30 115.58 114.92 1ckk h ASN 111 Ca 0.26 0.00 -0.44 0.00 -0.56 0.00 0.00 56.30 55.57 1ckk h ASN 111 Cb 1.33 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 38.52 1ckk h ASN 111 CO -0.00 0.00 -2.42 0.18 -1.06 0.00 0.00 177.43 174.13 1ckk n LEU 112 N -2.84 2.06 0.00 1.61 4.77 0.26 -4.23 117.00 118.64 1ckk n LEU 112 Ca 0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1ckk n LEU 112 Cb 0.33 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1ckk n LEU 112 CO 0.27 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1ckk n GLY 113 N 1.38 -0.46 3.93 -0.72 0.00 -0.77 -5.00 105.19 103.55 1ckk n GLY 113 Ca -0.52 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 3.27 -0.42 1.61 2.12 -1.26 -4.82 118.70 119.20 1ckk s GLU 114 Ca 0.00 -0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.20 1ckk s GLU 114 Cb 0.00 -2.49 0.23 0.00 0.26 0.00 0.00 34.13 32.12 1ckk s GLU 114 CO 0.00 -0.21 0.49 0.36 -0.54 0.00 0.00 175.26 175.36 1ckk n LYS 115 N -2.13 0.73 -0.86 4.30 2.85 -1.26 -3.27 118.16 118.52 1ckk n LYS 115 Ca 0.00 -3.35 -0.27 0.00 -1.05 0.00 0.00 58.31 53.64 1ckk n LYS 115 Cb 0.57 -1.44 0.01 0.00 -0.65 0.00 0.00 35.03 33.52 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckk n LEU 116 N 1.76 -2.52 0.00 -5.58 4.32 -1.26 -4.92 117.00 108.79 1ckk n LEU 116 Ca 0.24 0.45 0.00 0.00 -0.02 0.00 0.00 56.01 56.68 1ckk n LEU 116 Cb 0.50 -0.59 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1ckk n LEU 116 CO 0.17 -3.30 0.00 0.41 -1.22 0.00 0.00 177.39 173.45 1ckk n THR 117 N -1.04 0.00 -0.05 -5.08 -1.04 -1.26 -4.87 114.28 100.95 1ckk n THR 117 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1ckk n THR 117 Cb 0.32 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.76 0.02 8.00 8.00 -1.26 -4.19 116.55 127.88 1ckk n ASP 118 Ca 0.00 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.51 1ckk n ASP 118 Cb 0.00 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 40.79 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ckk h GLU 119 N -0.33 -0.18 -0.50 -1.24 4.57 -1.99 0.39 114.58 115.30 1ckk h GLU 119 Ca -0.24 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 1ckk h GLU 119 Cb 1.22 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 1ckk h GLU 119 CO -0.14 -0.12 0.30 1.05 -1.18 0.00 0.00 179.01 178.91 1ckk h GLU 120 N -0.19 0.69 -0.93 1.92 4.11 -1.97 -2.01 114.58 116.21 1ckk h GLU 120 Ca 0.07 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1ckk h GLU 120 Cb 0.29 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1ckk h GLU 120 CO -0.19 0.51 0.59 0.28 0.07 0.00 0.00 179.01 180.27 1ckk h VAL 121 N 0.67 1.24 0.34 -1.06 2.07 -1.57 -1.92 116.25 116.03 1ckk h VAL 121 Ca 0.18 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1ckk h VAL 121 Cb 0.00 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.68 1ckk h VAL 121 CO -0.03 0.25 -0.18 -0.78 0.02 0.00 0.00 177.57 176.85 1ckk h ASP 122 N 1.26 -0.43 -0.16 0.57 3.58 0.40 -1.05 116.42 120.60 1ckk h ASP 122 Ca 0.34 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.85 1ckk h ASP 122 Cb -0.11 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1ckk h ASP 122 CO -0.07 -0.29 0.18 -0.33 -2.88 0.00 0.00 179.24 175.85 1ckk h GLU 123 N -0.48 0.00 -0.06 0.28 5.08 -1.08 -0.00 114.58 118.32 1ckk h GLU 123 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ckk h GLU 123 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ckk h GLU 123 CO 0.06 0.00 0.02 1.98 -1.00 0.00 0.00 179.01 180.07 1ckk h MET 124 N 0.00 0.09 -0.10 2.33 4.05 -0.40 -0.11 114.93 120.79 1ckk h MET 124 Ca 0.08 -0.02 -0.19 0.00 -0.28 0.00 0.00 59.70 59.29 1ckk h MET 124 Cb 0.44 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1ckk h MET 124 CO -0.00 0.26 -0.72 0.82 0.23 0.00 0.00 176.91 177.50 1ckk h ILE 125 N -0.10 1.36 0.00 1.77 1.08 -0.88 -2.99 117.51 117.75 1ckk h ILE 125 Ca 0.02 -2.09 -0.03 0.00 -0.39 0.00 0.00 64.86 62.38 1ckk h ILE 125 Cb 0.21 2.06 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 1ckk h ILE 125 CO -0.00 0.63 -0.12 -0.09 -0.69 0.00 0.00 178.15 177.88 1ckk h ARG 126 N 0.33 0.00 -0.09 2.37 1.12 -0.94 0.22 114.38 117.38 1ckk h ARG 126 Ca -0.03 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.67 1ckk h ARG 126 Cb 1.30 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.25 1ckk h ARG 126 CO 0.13 0.12 -0.65 1.49 -3.11 0.00 0.00 179.97 177.95 1ckk h GLU 127 N 0.00 0.36 0.00 0.20 4.81 -0.86 -3.25 114.58 115.85 1ckk h GLU 127 Ca -0.00 -0.27 -0.20 0.00 -0.13 0.00 0.00 59.36 58.76 1ckk h GLU 127 Cb 0.54 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1ckk h GLU 127 CO 0.02 0.89 -1.71 0.00 -0.73 0.00 0.00 179.01 177.47 1ckk n ALA 128 N -2.50 1.90 -1.52 2.92 0.00 -1.05 -4.83 120.51 115.44 1ckk n ALA 128 Ca -0.03 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.48 1ckk n ALA 128 Cb 0.66 -0.76 -0.18 0.00 0.00 0.00 0.00 19.45 19.16 1ckk n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckk n ASP 129 N -2.80 -0.51 0.09 0.00 8.00 0.04 -4.67 116.55 116.70 1ckk n ASP 129 Ca -0.15 -0.78 -0.23 0.00 0.71 0.00 0.00 54.79 54.35 1ckk n ASP 129 Cb 0.90 -0.86 -0.15 0.00 -0.02 0.00 0.00 41.12 40.99 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ckk h ILE 130 N 7.23 1.13 0.00 0.53 2.04 -1.89 -3.31 117.51 123.23 1ckk h ILE 130 Ca 0.02 -2.57 -0.08 0.00 1.00 0.00 0.00 64.86 63.23 1ckk h ILE 130 Cb 1.10 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 40.08 1ckk h ILE 130 CO 1.45 0.81 -0.37 -2.24 0.00 0.00 0.00 178.15 177.80 1ckk h ASP 131 N 0.04 0.00 -0.43 1.72 2.03 -1.94 -3.47 116.42 114.37 1ckk h ASP 131 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1ckk h ASP 131 Cb 2.05 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.55 1ckk h ASP 131 CO 0.20 0.37 0.00 0.61 -1.03 0.00 0.00 179.24 179.39 1ckk n GLY 132 N 0.78 0.79 0.07 7.15 0.00 -1.25 -4.96 105.19 107.78 1ckk n GLY 132 Ca 0.01 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.48 1ckk n GLY 132 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1ckk h ASP 133 N 0.00 0.00 0.00 1.61 2.03 -1.91 -3.47 116.42 114.68 1ckk h ASP 133 Ca 0.00 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1ckk h ASP 133 Cb 0.85 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 1ckk h ASP 133 CO 0.00 0.09 0.00 0.61 -1.03 0.00 0.00 179.24 178.91 1ckk n GLY 134 N 1.31 0.93 3.42 7.15 0.00 -1.26 -5.06 105.19 111.67 1ckk n GLY 134 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.89 1.03 -0.38 1.61 -0.21 -1.26 -4.69 119.66 114.87 1ckk s GLN 135 Ca 0.00 -0.11 -0.21 0.00 0.02 0.00 0.00 55.36 55.06 1ckk s GLN 135 Cb 0.00 0.47 0.01 0.00 1.00 0.00 0.00 33.01 34.49 1ckk s GLN 135 CO 0.00 -0.36 0.65 0.08 -2.12 0.00 0.00 175.29 173.54 1ckk s VAL 136 N -2.09 4.86 0.77 1.09 1.01 -0.97 -4.70 120.40 120.36 1ckk s VAL 136 Ca -0.07 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.33 1ckk s VAL 136 Cb -0.01 -4.12 0.13 0.00 0.00 0.00 0.00 36.38 32.38 1ckk s VAL 136 CO 0.01 -0.41 1.07 0.21 0.00 0.00 0.00 175.10 175.98 1ckk s ASN 137 N 1.86 4.17 0.05 3.32 3.84 -1.26 0.15 114.94 127.07 1ckk s ASN 137 Ca 0.24 -0.05 -0.24 0.00 0.21 0.00 0.00 52.86 53.03 1ckk s ASN 137 Cb -0.14 -0.32 -0.12 0.00 -0.55 0.00 0.00 41.25 40.12 1ckk s ASN 137 CO 0.16 -2.00 1.36 0.22 -2.79 0.00 0.00 177.10 174.06 1ckk h TYR 138 N -0.78 -0.87 -0.92 0.43 3.20 -1.97 -0.89 116.97 115.17 1ckk h TYR 138 Ca -0.40 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 61.66 1ckk h TYR 138 Cb 1.27 0.32 -0.17 0.00 1.54 0.00 0.00 36.73 39.68 1ckk h TYR 138 CO -0.32 -0.46 -0.18 0.93 -1.64 0.00 0.00 178.16 176.49 1ckk h GLU 139 N -0.75 0.01 0.54 1.82 5.08 -1.95 0.76 114.58 120.09 1ckk h GLU 139 Ca -0.06 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1ckk h GLU 139 Cb 0.61 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ckk h GLU 139 CO 0.04 0.01 -0.40 0.93 -1.00 0.00 0.00 179.01 178.58 1ckk h GLU 140 N 0.01 -0.89 -0.56 2.33 5.08 -1.86 1.84 114.58 120.53 1ckk h GLU 140 Ca 0.46 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 59.04 1ckk h GLU 140 Cb 0.75 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1ckk h GLU 140 CO -0.92 -0.59 0.75 0.35 -1.00 0.00 0.00 179.01 177.59 1ckk h PHE 141 N -0.92 0.00 0.00 4.33 3.57 0.55 0.19 116.94 124.67 1ckk h PHE 141 Ca -0.06 0.00 -0.39 0.00 3.53 0.00 0.00 57.97 61.05 1ckk h PHE 141 Cb 0.78 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 1ckk h PHE 141 CO -0.16 0.00 -2.46 0.28 -2.23 0.00 0.00 178.31 173.75 1ckk n VAL 142 N -3.36 1.49 0.30 1.41 0.31 -0.25 -4.07 118.33 114.17 1ckk n VAL 142 Ca 0.11 -0.59 0.04 0.00 -0.01 0.00 0.00 64.34 63.90 1ckk n VAL 142 Cb 0.95 -1.37 0.18 0.00 -0.91 0.00 0.00 33.84 32.68 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 -3.24 0.00 -0.05 5.55 0.00 0.61 -0.80 117.38 119.46 1ckk n GLN 143 Ca -0.45 0.35 -0.02 0.00 -0.00 0.00 0.00 57.00 56.88 1ckk n GLN 143 Cb 1.00 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 29.59 1ckk n GLN 143 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1ckk n MET 144 N -1.49 0.67 -0.11 3.69 1.56 -0.49 -4.00 117.12 116.95 1ckk n MET 144 Ca 0.02 -0.03 -0.13 0.00 -0.27 0.00 0.00 57.70 57.29 1ckk n MET 144 Cb 0.10 -1.57 -0.14 0.00 2.15 0.00 0.00 33.22 33.76 1ckk n MET 144 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1ckk n MET 145 N -2.62 0.71 0.15 2.12 2.81 -0.94 -4.39 117.12 114.95 1ckk n MET 145 Ca -0.20 0.06 0.01 0.00 -1.81 0.00 0.00 57.70 55.77 1ckk n MET 145 Cb 0.92 -1.51 0.23 0.00 -0.71 0.00 0.00 33.22 32.15 1ckk n MET 145 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ckk h THR 146 N 0.00 1.29 -0.24 2.03 1.35 -1.20 -3.27 112.91 112.87 1ckk h THR 146 Ca -0.55 -1.87 -0.42 0.00 -0.55 0.00 0.00 66.41 63.02 1ckk h THR 146 Cb 2.06 2.04 -0.06 0.00 -1.73 0.00 0.00 68.15 70.46 1ckk h THR 146 CO -0.03 0.52 1.20 0.00 -0.25 0.00 0.00 175.52 176.97 1ckk n ALA 147 N -2.40 6.78 0.94 6.62 0.00 -1.26 -5.08 120.51 126.11 1ckk n ALA 147 Ca -0.01 -2.68 0.11 0.00 0.00 0.00 0.00 53.44 50.86 1ckk n ALA 147 Cb 0.56 -2.65 0.09 0.00 0.00 0.00 0.00 19.45 17.46 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67