#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 4.79 -2.12 0.00 5.75 -1.26 -4.98 116.55 118.74 1ckk n ASP 2 Ca 0.00 -3.10 -0.02 0.00 -0.01 0.00 0.00 54.79 51.66 1ckk n ASP 2 Cb 0.00 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.43 1ckk n ASP 2 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1ckk n GLN 3 N -0.03 -0.02 -1.88 0.11 0.00 -1.26 -5.10 117.38 109.20 1ckk n GLN 3 Ca 0.31 -0.13 -0.05 0.00 -0.00 0.00 0.00 57.00 57.13 1ckk n GLN 3 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 30.24 31.34 1ckk n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ckk n LEU 4 N 0.00 0.00 -4.35 1.69 7.99 -1.26 -5.06 117.00 116.01 1ckk n LEU 4 Ca 0.01 -0.57 -0.46 0.00 -0.01 0.00 0.00 56.01 54.99 1ckk n LEU 4 Cb 0.03 -0.02 -0.03 0.00 -0.11 0.00 0.00 43.42 43.29 1ckk n LEU 4 CO 0.02 -0.35 0.44 0.42 -1.51 0.00 0.00 177.39 176.41 1ckk s THR 5 N -0.42 5.23 -0.17 -5.08 -4.23 -1.26 -4.83 115.64 104.88 1ckk s THR 5 Ca 0.07 -1.81 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1ckk s THR 5 Cb -0.01 -4.49 -0.23 0.00 1.34 0.00 0.00 72.50 69.11 1ckk s THR 5 CO 0.05 -1.09 0.16 1.21 -0.54 0.00 0.00 174.62 174.41 1ckk n GLU 6 N 5.14 0.68 -0.06 3.99 0.00 -1.26 -3.64 120.64 125.49 1ckk n GLU 6 Ca 0.04 0.12 -0.11 0.00 0.00 0.00 0.00 57.16 57.22 1ckk n GLU 6 Cb 0.45 -1.60 -0.05 0.00 0.00 0.00 0.00 31.44 30.24 1ckk n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1ckk h GLU 7 N 0.01 0.31 -0.27 5.31 3.07 -1.99 0.46 114.58 121.48 1ckk h GLU 7 Ca -0.49 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.26 1ckk h GLU 7 Cb 2.10 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.95 1ckk h GLU 7 CO 0.02 0.40 -0.01 1.96 -1.40 0.00 0.00 179.01 179.97 1ckk h GLN 8 N 0.15 0.48 -0.60 2.33 4.20 -1.98 -2.50 115.11 117.20 1ckk h GLN 8 Ca 0.06 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 1ckk h GLN 8 Cb 0.22 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1ckk h GLN 8 CO -0.00 0.66 -0.03 0.82 -0.67 0.00 0.00 178.83 179.61 1ckk h ILE 9 N 0.26 1.27 0.50 2.54 2.04 -1.61 -2.49 117.51 120.02 1ckk h ILE 9 Ca 0.07 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1ckk h ILE 9 Cb 0.45 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1ckk h ILE 9 CO 0.02 0.43 -0.39 0.00 0.00 0.00 0.00 178.15 178.21 1ckk h ALA 10 N 0.98 -1.12 -0.94 1.87 0.00 0.02 -1.90 119.26 118.17 1ckk h ALA 10 Ca 0.17 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.13 1ckk h ALA 10 Cb 0.59 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 1ckk h ALA 10 CO 0.04 -1.12 0.49 0.93 0.00 0.00 0.00 179.25 179.58 1ckk h GLU 11 N -0.86 0.49 -0.58 0.00 3.07 -1.47 0.31 114.58 115.56 1ckk h GLU 11 Ca -0.06 -0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.87 1ckk h GLU 11 Cb 0.71 -0.11 -0.08 0.00 -0.84 0.00 0.00 28.75 28.43 1ckk h GLU 11 CO 0.01 0.32 0.14 0.74 -1.40 0.00 0.00 179.01 178.82 1ckk h PHE 12 N 0.50 0.22 -0.60 4.33 -1.00 -0.90 0.41 116.94 119.90 1ckk h PHE 12 Ca 0.59 0.03 0.07 0.00 2.81 0.00 0.00 57.97 61.47 1ckk h PHE 12 Cb 1.09 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 1ckk h PHE 12 CO -0.07 -0.01 0.40 -0.22 -1.61 0.00 0.00 178.31 176.80 1ckk h LYS 13 N 0.28 0.52 -0.07 1.51 3.64 0.37 -1.77 116.57 121.04 1ckk h LYS 13 Ca 0.30 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 1ckk h LYS 13 Cb 0.43 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1ckk h LYS 13 CO -0.37 0.34 -0.09 1.49 -2.27 0.00 0.00 179.45 178.56 1ckk h GLU 14 N 0.54 -0.11 -0.47 1.90 4.81 0.23 1.09 114.58 122.57 1ckk h GLU 14 Ca 0.27 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1ckk h GLU 14 Cb 0.35 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1ckk h GLU 14 CO -0.08 -0.07 0.31 0.00 -0.73 0.00 0.00 179.01 178.44 1ckk h ALA 15 N 0.93 0.59 -0.33 2.92 0.00 -1.00 0.31 119.26 122.69 1ckk h ALA 15 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ckk h ALA 15 Cb 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ckk h ALA 15 CO -0.14 0.04 0.08 0.35 0.00 0.00 0.00 179.25 179.58 1ckk h PHE 16 N 0.63 0.55 -0.10 0.00 3.57 -0.85 -2.47 116.94 118.28 1ckk h PHE 16 Ca 0.17 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1ckk h PHE 16 Cb -0.07 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 1ckk h PHE 16 CO -0.04 0.57 -0.16 0.77 -2.23 0.00 0.00 178.31 177.22 1ckk h SER 17 N 0.37 0.15 -0.36 0.41 0.02 0.16 -2.13 113.55 112.16 1ckk h SER 17 Ca 0.10 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ckk h SER 17 Cb 0.30 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1ckk h SER 17 CO 0.00 0.32 0.19 0.25 -1.14 0.00 0.00 176.83 176.45 1ckk h LEU 18 N 0.15 0.46 -0.98 5.07 6.46 0.06 -2.46 115.31 124.07 1ckk h LEU 18 Ca 0.03 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.60 1ckk h LEU 18 Cb 0.37 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 1ckk h LEU 18 CO 0.02 0.43 -0.41 -0.26 -0.62 0.00 0.00 178.44 177.61 1ckk h PHE 19 N 0.46 0.00 -3.25 1.25 0.04 -1.17 -3.42 116.94 110.85 1ckk h PHE 19 Ca 0.13 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.31 1ckk h PHE 19 Cb 0.08 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.15 1ckk h PHE 19 CO -0.02 0.41 0.52 0.34 -0.60 0.00 0.00 178.31 178.96 1ckk s ASP 20 N -6.55 6.92 0.12 2.17 2.15 -0.83 -4.22 116.67 116.43 1ckk s ASP 20 Ca -0.01 1.14 -0.07 0.00 0.43 0.00 0.00 52.55 54.04 1ckk s ASP 20 Cb 0.12 -2.46 -0.12 0.00 -0.30 0.00 0.00 42.92 40.16 1ckk s ASP 20 CO 0.70 -0.52 1.29 0.50 -0.17 0.00 0.00 175.17 176.97 1ckk h LYS 21 N 7.56 0.52 0.09 4.34 1.63 -1.82 -3.35 116.57 125.54 1ckk h LYS 21 Ca -0.24 -0.53 -0.36 0.00 -0.85 0.00 0.00 60.65 58.67 1ckk h LYS 21 Cb 1.09 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.84 1ckk h LYS 21 CO 0.89 1.16 -2.04 -0.40 -3.45 0.00 0.00 179.45 175.61 1ckk n ASP 22 N -3.80 2.08 -0.14 4.20 5.75 -1.26 -5.02 116.55 118.36 1ckk n ASP 22 Ca -0.08 0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1ckk n ASP 22 Cb 0.83 -0.80 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 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 1.99 0.56 0.17 6.12 0.00 -1.26 -5.01 105.19 107.76 1ckk n GLY 23 Ca -0.35 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.10 1.17 -0.15 1.61 5.75 -1.26 -4.97 116.55 118.60 1ckk n ASP 24 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.70 1ckk n ASP 24 Cb 0.08 0.77 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 25 N 1.30 1.06 3.03 6.12 0.00 -1.26 -5.07 105.19 110.37 1ckk n GLY 25 Ca 0.05 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.30 -0.80 -0.28 2.61 -4.23 -1.22 -4.33 115.64 105.09 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 -0.93 -0.03 0.00 1.34 0.00 0.00 72.50 72.88 1ckk s THR 26 CO 0.00 -0.08 0.40 -0.63 -0.54 0.00 0.00 174.62 173.76 1ckk s ILE 27 N 2.70 5.15 0.50 2.99 1.01 -1.03 -4.78 121.20 127.74 1ckk s ILE 27 Ca 0.15 0.56 0.09 0.00 0.00 0.00 0.00 60.65 61.46 1ckk s ILE 27 Cb -0.14 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.64 1ckk s ILE 27 CO -0.21 0.12 0.68 0.42 0.00 0.00 0.00 174.94 175.95 1ckk s THR 28 N 2.11 2.55 0.47 2.92 -4.23 -1.26 -2.43 115.64 115.77 1ckk s THR 28 Ca 0.16 -1.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.80 1ckk s THR 28 Cb -0.16 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.42 1ckk s THR 28 CO 0.10 0.00 2.08 0.71 -0.54 0.00 0.00 174.62 176.97 1ckk h THR 29 N 0.40 1.00 0.26 3.99 1.35 -1.93 -2.15 112.91 115.83 1ckk h THR 29 Ca -0.35 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1ckk h THR 29 Cb 1.28 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1ckk h THR 29 CO 0.43 0.05 -0.12 0.11 -0.25 0.00 0.00 175.52 175.73 1ckk h LYS 30 N 0.25 -0.33 0.01 4.72 1.57 -1.98 -1.67 116.57 119.14 1ckk h LYS 30 Ca 0.11 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1ckk h LYS 30 Cb 0.13 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1ckk h LYS 30 CO -0.02 0.03 -0.01 0.93 -0.57 0.00 0.00 179.45 179.80 1ckk h GLU 31 N -0.87 -0.02 -0.96 3.15 5.08 -1.84 0.20 114.58 119.31 1ckk h GLU 31 Ca -0.04 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.61 1ckk h GLU 31 Cb 0.51 0.01 -0.15 0.00 0.50 0.00 0.00 28.75 29.62 1ckk h GLU 31 CO 0.06 -0.02 0.43 1.25 -1.00 0.00 0.00 179.01 179.73 1ckk h LEU 32 N -0.02 0.30 -0.84 1.33 5.85 -1.55 0.95 115.31 121.34 1ckk h LEU 32 Ca -0.00 0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1ckk h LEU 32 Cb 0.02 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1ckk h LEU 32 CO -0.00 -0.15 0.52 1.23 -0.34 0.00 0.00 178.44 179.70 1ckk h GLY 33 N 0.28 1.25 0.95 3.75 0.00 -0.73 0.01 103.07 108.58 1ckk h GLY 33 Ca 0.66 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1ckk h GLY 33 CO -0.63 0.26 -0.04 -0.84 0.00 0.00 0.00 176.54 175.29 1ckk h THR 34 N 0.94 0.96 -0.80 4.70 2.02 0.30 -0.20 112.91 120.83 1ckk h THR 34 Ca 0.36 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.47 1ckk h THR 34 Cb 0.16 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1ckk h THR 34 CO -0.17 0.03 0.50 0.58 0.37 0.00 0.00 175.52 176.83 1ckk h VAL 35 N -0.15 1.08 -0.72 3.16 2.07 -0.82 -1.48 116.25 119.38 1ckk h VAL 35 Ca -0.01 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1ckk h VAL 35 Cb 0.13 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 1ckk h VAL 35 CO 0.02 0.17 0.42 0.24 0.02 0.00 0.00 177.57 178.44 1ckk h MET 36 N 0.95 0.99 -0.95 1.57 2.86 -0.64 -0.21 114.93 119.50 1ckk h MET 36 Ca 0.34 -0.10 0.15 0.00 -2.06 0.00 0.00 59.70 58.02 1ckk h MET 36 Cb 0.09 -0.20 -0.09 0.00 0.06 0.00 0.00 31.60 31.45 1ckk h MET 36 CO -0.14 0.71 0.57 -0.09 1.06 0.00 0.00 176.91 179.02 1ckk h ARG 37 N 0.99 0.80 -0.15 1.72 9.65 0.02 -0.94 114.38 126.45 1ckk h ARG 37 Ca 0.26 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.98 1ckk h ARG 37 Cb -0.01 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1ckk h ARG 37 CO -0.05 0.53 -0.35 0.77 2.80 0.00 0.00 179.97 183.67 1ckk h SER 38 N 0.82 0.57 -1.03 -3.80 0.02 -0.91 -2.94 113.55 106.28 1ckk h SER 38 Ca 0.51 -0.57 0.30 0.00 -0.84 0.00 0.00 61.79 61.19 1ckk h SER 38 Cb 0.64 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1ckk h SER 38 CO -0.32 1.03 1.05 0.25 -1.14 0.00 0.00 176.83 177.70 1ckk h LEU 39 N 0.13 0.00 0.00 5.07 7.12 0.35 -3.43 115.31 124.55 1ckk h LEU 39 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1ckk h LEU 39 Cb 0.95 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.08 1ckk h LEU 39 CO 0.08 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 179.00 1ckk n GLY 40 N -1.70 1.21 3.31 3.75 0.00 -1.09 -4.98 105.19 105.69 1ckk n GLY 40 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.13 1.13 -0.48 1.61 -1.52 -1.17 -5.07 119.66 114.04 1ckk s GLN 41 Ca 0.00 -1.25 0.03 0.00 -1.95 0.00 0.00 55.36 52.19 1ckk s GLN 41 Cb 0.00 0.35 0.14 0.00 -0.22 0.00 0.00 33.01 33.28 1ckk s GLN 41 CO 0.00 -0.40 0.27 1.21 -0.25 0.00 0.00 175.29 176.12 1ckk s ASN 42 N -2.99 3.83 0.76 5.90 3.84 -1.26 -3.96 114.94 121.05 1ckk s ASN 42 Ca 0.20 -2.83 -0.11 0.00 0.21 0.00 0.00 52.86 50.33 1ckk s ASN 42 Cb 0.04 -1.21 0.05 0.00 -0.55 0.00 0.00 41.25 39.57 1ckk s ASN 42 CO 0.01 -0.24 1.08 -2.16 -2.79 0.00 0.00 177.10 173.00 1ckk s PRO 43 N 0.05 2.40 0.32 0.43 0.04 -1.26 -5.06 135.00 131.92 1ckk s PRO 43 Ca 0.18 1.02 0.06 0.00 0.04 0.00 0.00 61.00 62.31 1ckk s PRO 43 Cb -0.22 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1ckk s PRO 43 CO -0.02 -1.50 0.46 0.99 0.04 0.00 0.00 177.00 176.98 1ckk s THR 44 N -2.98 4.28 -0.00 1.26 2.01 -1.26 -4.99 115.64 113.96 1ckk s THR 44 Ca 0.60 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 1ckk s THR 44 Cb -0.16 -3.49 -0.00 0.00 0.01 0.00 0.00 72.50 68.86 1ckk s THR 44 CO 0.56 -0.20 0.55 -0.08 -0.69 0.00 0.00 174.62 174.76 1ckk h GLU 45 N 0.91 -0.00 -0.76 4.92 4.57 -1.99 -0.95 114.58 121.28 1ckk h GLU 45 Ca -0.47 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 57.84 1ckk h GLU 45 Cb 1.25 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 29.71 1ckk h GLU 45 CO 0.54 -0.00 -0.36 0.00 -1.18 0.00 0.00 179.01 178.01 1ckk h ALA 46 N -2.00 0.04 -0.90 2.92 0.00 -2.00 0.55 119.26 117.87 1ckk h ALA 46 Ca -0.00 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1ckk h ALA 46 Cb 0.00 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1ckk h ALA 46 CO 0.00 -0.66 0.54 0.93 0.00 0.00 0.00 179.25 180.06 1ckk h GLU 47 N -0.09 0.83 -0.80 0.00 4.39 -1.99 -0.56 114.58 116.36 1ckk h GLU 47 Ca 0.28 -0.05 0.09 0.00 0.34 0.00 0.00 59.36 60.02 1ckk h GLU 47 Cb 0.57 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 1ckk h GLU 47 CO -0.81 0.55 0.45 -0.07 -1.16 0.00 0.00 179.01 177.97 1ckk h LEU 48 N 0.86 0.65 -1.62 1.33 3.38 0.15 0.31 115.31 120.36 1ckk h LEU 48 Ca 0.45 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.43 1ckk h LEU 48 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ckk h LEU 48 CO -0.27 0.38 -0.16 -0.61 0.09 0.00 0.00 178.44 177.87 1ckk h GLN 49 N 0.77 0.00 -0.08 1.13 5.75 -0.38 -0.40 115.11 121.90 1ckk h GLN 49 Ca 0.38 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.82 1ckk h GLN 49 Cb 0.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1ckk h GLN 49 CO -0.24 0.16 -0.17 0.22 -2.65 0.00 0.00 178.83 176.15 1ckk h ASP 50 N 0.00 0.30 0.21 -0.69 3.58 0.23 -2.30 116.42 117.75 1ckk h ASP 50 Ca -0.00 -0.57 -0.18 0.00 0.42 0.00 0.00 57.03 56.70 1ckk h ASP 50 Cb 0.49 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 1ckk h ASP 50 CO 0.02 0.81 -0.71 0.00 -2.88 0.00 0.00 179.24 176.48 1ckk h MET 51 N -0.20 0.44 -0.21 0.28 -0.00 -1.11 -2.94 114.93 111.19 1ckk h MET 51 Ca 0.00 -0.35 -0.03 0.00 -0.00 0.00 0.00 59.70 59.33 1ckk h MET 51 Cb 0.76 0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.42 1ckk h MET 51 CO 0.04 0.98 0.02 0.82 -0.00 0.00 0.00 176.91 178.77 1ckk h ILE 52 N 0.31 1.13 0.00 -0.10 1.08 -1.10 -0.90 117.51 117.93 1ckk h ILE 52 Ca -0.03 -0.48 -0.02 0.00 -0.39 0.00 0.00 64.86 63.94 1ckk h ILE 52 Cb 1.29 0.95 -0.00 0.00 -3.07 0.00 0.00 36.82 35.99 1ckk h ILE 52 CO 0.12 0.16 -0.09 -1.13 -0.69 0.00 0.00 178.15 176.53 1ckk h ASN 53 N 0.30 0.00 -0.68 1.72 -0.73 -1.26 -2.51 115.58 112.43 1ckk h ASN 53 Ca 0.07 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 1ckk h ASN 53 Cb 0.18 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 1ckk h ASN 53 CO 0.00 0.09 0.33 -0.08 -0.37 0.00 0.00 177.43 177.39 1ckk h GLU 54 N 0.00 1.00 0.02 6.67 4.22 -0.99 -3.04 114.58 122.45 1ckk h GLU 54 Ca -0.00 -0.14 -0.32 0.00 0.08 0.00 0.00 59.36 58.98 1ckk h GLU 54 Cb 0.88 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1ckk h GLU 54 CO 0.01 0.77 -1.87 0.28 -2.18 0.00 0.00 179.01 176.03 1ckk n VAL 55 N -4.33 1.60 -0.90 0.32 0.31 -1.20 -4.59 118.33 109.55 1ckk n VAL 55 Ca 0.07 -0.78 -0.41 0.00 -0.01 0.00 0.00 64.34 63.21 1ckk n VAL 55 Cb 0.14 -1.07 -0.10 0.00 -0.91 0.00 0.00 33.84 31.90 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 -3.08 1.66 0.19 4.52 -0.08 -0.95 -4.57 116.55 114.24 1ckk n ASP 56 Ca -0.22 -2.57 0.14 0.00 -1.51 0.00 0.00 54.79 50.63 1ckk n ASP 56 Cb 1.06 -0.88 0.49 0.00 2.34 0.00 0.00 41.12 44.14 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk h ALA 57 N 9.42 1.00 0.00 -1.67 0.00 -1.81 -3.22 119.26 122.98 1ckk h ALA 57 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.83 1ckk h ALA 57 Cb 0.73 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1ckk h ALA 57 CO 1.88 0.00 -2.38 -0.40 0.00 0.00 0.00 179.25 178.36 1ckk n ASP 58 N -2.64 0.47 -0.26 0.00 5.68 -1.26 -5.02 116.55 113.51 1ckk n ASP 58 Ca 0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ckk n ASP 58 Cb 0.33 0.73 0.00 0.00 -1.14 0.00 0.00 41.12 41.04 1ckk n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 59 N 1.87 0.86 0.10 6.12 0.00 -1.22 -4.98 105.19 107.94 1ckk n GLY 59 Ca -0.35 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.53 1ckk n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ckk h ASN 60 N 0.00 0.00 0.00 1.61 -0.26 -1.95 -3.47 115.58 111.51 1ckk h ASN 60 Ca 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1ckk h ASN 60 Cb 0.42 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 1ckk h ASN 60 CO 0.00 0.04 0.00 0.61 -1.06 0.00 0.00 177.43 177.02 1ckk n GLY 61 N 1.29 0.19 3.74 2.83 0.00 -1.26 -5.03 105.19 106.94 1ckk n GLY 61 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.10 2.61 -4.23 -1.26 -4.84 115.64 106.03 1ckk s THR 62 Ca 0.00 -0.95 -0.27 0.00 -1.18 0.00 0.00 61.69 59.29 1ckk s THR 62 Cb 0.00 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 1ckk s THR 62 CO 0.00 -0.01 0.84 -0.63 -0.54 0.00 0.00 174.62 174.28 1ckk s ILE 63 N -3.91 4.54 0.47 2.99 -1.09 -1.02 -4.78 121.20 118.39 1ckk s ILE 63 Ca 0.12 1.81 0.06 0.00 -2.23 0.00 0.00 60.65 60.41 1ckk s ILE 63 Cb -0.04 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 1ckk s ILE 63 CO 0.04 0.39 0.20 -1.81 -1.23 0.00 0.00 174.94 172.53 1ckk s ASP 64 N -0.34 4.40 0.10 3.58 1.11 -1.26 -2.46 116.67 121.80 1ckk s ASP 64 Ca 0.41 -1.25 -0.22 0.00 0.18 0.00 0.00 52.55 51.66 1ckk s ASP 64 Cb -0.22 -0.03 -0.13 0.00 1.07 0.00 0.00 42.92 43.61 1ckk s ASP 64 CO 0.26 -0.75 1.74 0.15 1.18 0.00 0.00 175.17 177.75 1ckk h PHE 65 N 1.24 0.00 -0.57 4.23 3.57 -1.98 -2.82 116.94 120.62 1ckk h PHE 65 Ca -0.41 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 1ckk h PHE 65 Cb 1.28 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1ckk h PHE 65 CO 0.91 -0.00 0.04 -1.00 -2.23 0.00 0.00 178.31 176.03 1ckk h PRO 66 N 0.02 0.94 -0.81 6.41 0.13 -1.97 -2.20 132.00 134.52 1ckk h PRO 66 Ca 0.02 -0.26 0.18 0.00 -0.87 0.00 0.00 66.00 65.07 1ckk h PRO 66 Cb 0.02 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 30.99 1ckk h PRO 66 CO -0.03 0.91 0.54 1.49 -0.23 0.00 0.00 178.00 180.68 1ckk h GLU 67 N 0.88 0.34 0.13 0.86 4.81 -1.88 -0.47 114.58 119.24 1ckk h GLU 67 Ca 0.17 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 59.08 1ckk h GLU 67 Cb 0.46 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.79 1ckk h GLU 67 CO 0.02 0.23 -1.25 0.35 -0.73 0.00 0.00 179.01 177.62 1ckk h PHE 68 N 0.35 0.95 -0.46 0.92 3.04 -1.22 -2.34 116.94 118.19 1ckk h PHE 68 Ca 0.41 -0.61 0.13 0.00 3.98 0.00 0.00 57.97 61.88 1ckk h PHE 68 Cb 1.05 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1ckk h PHE 68 CO -0.00 1.45 0.33 -0.07 -2.02 0.00 0.00 178.31 178.00 1ckk h LEU 69 N 0.25 0.01 0.00 0.59 -0.00 -0.70 -2.36 115.31 113.09 1ckk h LEU 69 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.70 1ckk h LEU 69 Cb 1.93 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.58 1ckk h LEU 69 CO 0.24 0.01 -0.60 0.35 -0.00 0.00 0.00 178.44 178.43 1ckk n THR 70 N -4.40 1.00 -0.37 0.22 -2.24 -1.01 -4.43 114.28 103.05 1ckk n THR 70 Ca 0.08 0.27 0.29 0.00 -2.27 0.00 0.00 64.05 62.41 1ckk n THR 70 Cb 0.53 -2.08 0.55 0.00 -2.10 0.00 0.00 70.33 67.22 1ckk n THR 70 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1ckk h MET 71 N -0.68 0.23 0.00 -0.78 4.05 -1.49 0.92 114.93 117.19 1ckk h MET 71 Ca 0.00 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1ckk h MET 71 Cb 0.60 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1ckk h MET 71 CO 0.00 0.15 0.00 -0.12 0.23 0.00 0.00 176.91 177.17 1ckk n MET 72 N -4.86 0.05 0.00 0.39 0.00 -0.89 -2.81 117.12 109.00 1ckk n MET 72 Ca 0.33 0.28 0.00 0.00 0.00 0.00 0.00 57.70 58.31 1ckk n MET 72 Cb 1.14 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.86 1ckk n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ckk n ALA 73 N -1.43 2.04 0.36 -5.12 0.00 0.32 -4.61 120.51 112.06 1ckk n ALA 73 Ca 0.03 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ckk n ALA 73 Cb 0.11 -0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.66 1ckk n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckk h ARG 74 N 0.00 0.00 -0.00 0.00 2.47 -1.27 -3.35 114.38 112.23 1ckk h ARG 74 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ckk h ARG 74 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ckk h ARG 74 CO 0.00 0.00 -0.81 1.17 0.56 0.00 0.00 179.97 180.89 1ckk n LYS 75 N -2.41 0.50 -1.09 0.04 3.00 -1.24 -4.30 118.16 112.67 1ckk n LYS 75 Ca 0.02 -0.32 -0.12 0.00 -0.00 0.00 0.00 58.31 57.89 1ckk n LYS 75 Cb 0.49 -1.47 0.27 0.00 0.00 0.00 0.00 35.03 34.31 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 -1.01 3.25 -3.10 1.64 2.81 -1.25 -4.71 117.12 114.74 1ckk n MET 76 Ca 0.06 -3.07 -0.06 0.00 -1.81 0.00 0.00 57.70 52.81 1ckk n MET 76 Cb 0.37 -2.20 -0.02 0.00 -0.71 0.00 0.00 33.22 30.65 1ckk n MET 76 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ckk s LYS 77 N -3.10 0.88 0.00 0.03 3.01 -1.26 -5.02 119.74 114.28 1ckk s LYS 77 Ca 0.56 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.75 1ckk s LYS 77 Cb 0.45 -0.20 0.00 0.00 -1.01 0.00 0.00 37.83 37.07 1ckk s LYS 77 CO 0.13 -1.25 0.00 -3.47 0.51 0.00 0.00 175.35 171.26 1ckk n ASP 78 N 3.78 0.00 0.00 2.83 2.03 -1.26 -5.03 116.55 118.90 1ckk n ASP 78 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1ckk n ASP 78 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ckk n THR 79 N 0.00 0.00 -3.15 5.18 -2.24 -1.26 -4.93 114.28 107.87 1ckk n THR 79 Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 1ckk n THR 79 Cb 0.00 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.35 -0.10 3.42 8.00 -1.26 -4.89 116.55 122.06 1ckk n ASP 80 Ca 0.00 -2.96 -0.11 0.00 0.71 0.00 0.00 54.79 52.43 1ckk n ASP 80 Cb 0.41 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.95 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 0.68 0.90 0.26 -2.24 3.41 -1.26 -4.25 113.62 111.12 1ckk n SER 81 Ca 0.22 -0.03 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1ckk n SER 81 Cb 0.62 0.61 0.67 0.00 -0.26 0.00 0.00 64.21 65.84 1ckk n SER 81 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ckk h GLU 82 N 0.00 0.00 -0.06 4.33 4.81 -1.98 -2.57 114.58 119.10 1ckk h GLU 82 Ca -0.51 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.53 1ckk h GLU 82 Cb 2.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.43 1ckk h GLU 82 CO -0.00 0.13 -0.76 1.49 -0.73 0.00 0.00 179.01 179.14 1ckk h GLU 83 N 0.00 0.39 0.00 1.92 4.81 -1.95 -2.98 114.58 116.77 1ckk h GLU 83 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1ckk h GLU 83 Cb 0.48 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ckk h GLU 83 CO 0.02 0.98 0.00 0.93 -0.73 0.00 0.00 179.01 180.21 1ckk h GLU 84 N 0.26 0.00 -0.30 1.92 5.08 -1.64 -2.72 114.58 117.18 1ckk h GLU 84 Ca -0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 1ckk h GLU 84 Cb 1.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1ckk h GLU 84 CO 0.13 0.00 -0.50 0.82 -1.00 0.00 0.00 179.01 178.46 1ckk h ILE 85 N 0.00 1.28 -0.18 3.13 2.04 -1.48 -2.39 117.51 119.90 1ckk h ILE 85 Ca 0.00 -1.69 0.05 0.00 1.00 0.00 0.00 64.86 64.22 1ckk h ILE 85 Cb 0.45 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1ckk h ILE 85 CO 0.00 0.55 0.15 -0.09 0.00 0.00 0.00 178.15 178.77 1ckk h ARG 86 N 0.67 0.00 0.35 2.37 1.12 -1.54 -0.73 114.38 116.62 1ckk h ARG 86 Ca 0.03 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.88 1ckk h ARG 86 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.06 1ckk h ARG 86 CO 0.11 0.00 -0.17 0.93 -3.11 0.00 0.00 179.97 177.73 1ckk h GLU 87 N 0.00 -0.46 -0.39 0.20 5.08 -1.49 -2.32 114.58 115.21 1ckk h GLU 87 Ca 0.08 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1ckk h GLU 87 Cb 0.39 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1ckk h GLU 87 CO -0.00 -0.18 0.34 0.00 -1.00 0.00 0.00 179.01 178.17 1ckk h ALA 88 N -0.79 2.18 0.19 3.43 0.00 -1.23 -0.87 119.26 122.17 1ckk h ALA 88 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ckk h ALA 88 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ckk h ALA 88 CO 0.08 -0.54 -0.09 0.35 0.00 0.00 0.00 179.25 179.05 1ckk h PHE 89 N 0.00 -0.23 -1.07 0.00 3.57 -1.01 -2.25 116.94 115.95 1ckk h PHE 89 Ca 0.18 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.97 1ckk h PHE 89 Cb 0.86 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 1ckk h PHE 89 CO 0.00 0.08 0.71 -0.09 -2.23 0.00 0.00 178.31 176.78 1ckk h ARG 90 N -0.56 0.26 -0.39 1.11 9.65 -0.59 0.74 114.38 124.60 1ckk h ARG 90 Ca -0.03 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 1ckk h ARG 90 Cb 0.42 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1ckk h ARG 90 CO 0.04 0.17 -0.10 0.28 2.80 0.00 0.00 179.97 183.16 1ckk h VAL 91 N 0.27 1.28 0.00 0.20 2.07 -1.17 -2.82 116.25 116.08 1ckk h VAL 91 Ca 0.58 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1ckk h VAL 91 Cb 1.72 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1ckk h VAL 91 CO -0.22 0.40 -0.34 -0.26 0.02 0.00 0.00 177.57 177.17 1ckk h PHE 92 N 0.56 0.00 -2.74 1.57 0.04 0.45 -3.34 116.94 113.48 1ckk h PHE 92 Ca 0.10 0.00 -0.81 0.00 2.80 0.00 0.00 57.97 60.06 1ckk h PHE 92 Cb 0.63 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 38.50 1ckk h PHE 92 CO 0.05 0.34 0.84 -3.47 -0.60 0.00 0.00 178.31 175.46 1ckk n ASP 93 N -3.29 6.65 -0.32 2.17 -0.08 0.21 -4.43 116.55 117.45 1ckk n ASP 93 Ca 0.01 -3.49 0.18 0.00 -1.51 0.00 0.00 54.79 49.99 1ckk n ASP 93 Cb 0.59 -1.24 0.35 0.00 2.34 0.00 0.00 41.12 43.16 1ckk n ASP 93 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1ckk n LYS 94 N 0.96 -0.07 0.15 -0.67 3.00 -1.24 0.26 118.16 120.54 1ckk n LYS 94 Ca 0.31 1.39 0.06 0.00 -0.00 0.00 0.00 58.31 60.08 1ckk n LYS 94 Cb 0.31 -2.29 0.05 0.00 0.00 0.00 0.00 35.03 33.11 1ckk n LYS 94 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1ckk h ASP 95 N 0.00 0.00 -5.07 3.14 3.04 -1.88 -3.48 116.42 112.17 1ckk h ASP 95 Ca 0.64 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 54.16 1ckk h ASP 95 Cb 1.44 0.00 0.15 0.00 -1.04 0.00 0.00 39.33 39.88 1ckk h ASP 95 CO -0.85 0.29 -0.66 0.61 -2.04 0.00 0.00 179.24 176.59 1ckk n GLY 96 N 1.20 -0.33 0.07 7.15 0.00 0.72 -4.94 105.19 109.07 1ckk n GLY 96 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.82 0.01 0.00 1.61 6.94 -1.26 -4.98 115.26 114.77 1ckk n ASN 97 Ca -0.22 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.35 1ckk n ASN 97 Cb 0.64 1.36 0.00 0.00 -2.36 0.00 0.00 39.78 39.42 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 1.56 1.73 3.35 4.83 0.00 -1.26 -5.09 105.19 110.31 1ckk n GLY 98 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.79 -0.69 0.20 1.61 2.02 -1.26 -3.34 117.35 114.10 1ckk s TYR 99 Ca 0.00 1.45 0.05 0.00 -0.37 0.00 0.00 57.07 58.21 1ckk s TYR 99 Cb 0.00 0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.86 1ckk s TYR 99 CO 0.00 -0.37 0.21 0.42 -1.57 0.00 0.00 175.55 174.24 1ckk s ILE 100 N 1.33 4.73 0.01 2.71 1.01 0.30 -4.88 121.20 126.41 1ckk s ILE 100 Ca -0.09 -1.10 -0.00 0.00 0.00 0.00 0.00 60.65 59.46 1ckk s ILE 100 Cb -0.07 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1ckk s ILE 100 CO -0.13 -0.21 -0.01 -0.44 0.00 0.00 0.00 174.94 174.15 1ckk s SER 101 N -3.47 0.16 0.53 3.58 0.01 -1.26 -1.66 113.70 111.59 1ckk s SER 101 Ca 0.33 -0.34 0.41 0.00 1.31 0.00 0.00 55.95 57.65 1ckk s SER 101 Cb -0.09 0.08 1.60 0.00 0.21 0.00 0.00 66.02 67.82 1ckk s SER 101 CO 0.25 -0.22 1.69 0.00 0.41 0.00 0.00 173.24 175.37 1ckk h ALA 102 N 5.03 3.37 -0.23 1.44 0.00 -1.91 0.81 119.26 127.76 1ckk h ALA 102 Ca -0.30 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1ckk h ALA 102 Cb 1.21 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ckk h ALA 102 CO 0.43 -1.84 -0.12 0.00 0.00 0.00 0.00 179.25 177.73 1ckk h ALA 103 N 1.27 0.33 -0.20 0.00 0.00 -1.96 0.26 119.26 118.96 1ckk h ALA 103 Ca 0.75 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1ckk h ALA 103 Cb 2.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.61 1ckk h ALA 103 CO -0.06 0.19 0.08 0.93 0.00 0.00 0.00 179.25 180.39 1ckk h GLU 104 N 0.21 0.30 -0.86 0.00 5.08 0.30 -2.16 114.58 117.46 1ckk h GLU 104 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ckk h GLU 104 Cb 0.63 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ckk h GLU 104 CO 0.04 0.37 0.48 -0.07 -1.00 0.00 0.00 179.01 178.82 1ckk h LEU 105 N 0.16 1.06 -2.05 1.33 3.38 -1.26 -1.01 115.31 116.92 1ckk h LEU 105 Ca 0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ckk h LEU 105 Cb 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ckk h LEU 105 CO -0.01 0.84 -0.02 -0.09 0.09 0.00 0.00 178.44 179.26 1ckk h ARG 106 N 1.19 0.00 0.02 1.13 1.12 -0.56 -1.07 114.38 116.21 1ckk h ARG 106 Ca 0.30 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.96 1ckk h ARG 106 Cb 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1ckk h ARG 106 CO -0.05 0.02 -0.96 1.25 -3.11 0.00 0.00 179.97 177.12 1ckk h HIS 107 N 0.00 0.18 -0.07 2.20 2.76 -0.56 -2.11 115.15 117.54 1ckk h HIS 107 Ca -0.00 -0.12 -0.21 0.00 -2.20 0.00 0.00 60.37 57.85 1ckk h HIS 107 Cb 0.04 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1ckk h HIS 107 CO 0.00 1.00 -0.81 -0.24 -1.30 0.00 0.00 177.93 176.58 1ckk h VAL 108 N 0.05 1.35 -0.17 5.26 3.04 -0.74 -1.70 116.25 123.35 1ckk h VAL 108 Ca -0.04 -2.17 -0.22 0.00 -1.01 0.00 0.00 66.70 63.25 1ckk h VAL 108 Cb 1.64 2.16 0.01 0.00 -2.01 0.00 0.00 31.29 33.10 1ckk h VAL 108 CO 0.14 0.66 -0.76 0.00 -1.01 0.00 0.00 177.57 176.60 1ckk h MET 109 N 0.34 0.81 0.00 4.17 -0.00 -1.28 0.87 114.93 119.84 1ckk h MET 109 Ca -0.05 -0.65 -0.07 0.00 -0.00 0.00 0.00 59.70 58.92 1ckk h MET 109 Cb 1.42 0.13 -0.01 0.00 -0.00 0.00 0.00 31.60 33.14 1ckk h MET 109 CO 0.15 1.26 -0.35 1.15 -0.00 0.00 0.00 176.91 179.11 1ckk h THR 110 N 0.56 0.99 0.00 -0.10 2.02 -1.13 0.62 112.91 115.88 1ckk h THR 110 Ca -0.05 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.80 1ckk h THR 110 Cb 1.39 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1ckk h THR 110 CO 0.16 0.35 -0.64 0.59 0.37 0.00 0.00 175.52 176.34 1ckk n ASN 111 N -3.74 0.61 -0.05 4.18 4.13 -0.64 -3.96 115.26 115.79 1ckk n ASN 111 Ca -0.01 -0.05 -0.12 0.00 1.68 0.00 0.00 54.58 56.08 1ckk n ASN 111 Cb 0.44 0.29 -0.14 0.00 -1.54 0.00 0.00 39.78 38.82 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ckk n LEU 112 N -1.87 1.13 0.00 3.41 4.77 0.29 -3.65 117.00 121.08 1ckk n LEU 112 Ca 0.04 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ckk n LEU 112 Cb 0.40 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1ckk n LEU 112 CO 0.36 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1ckk n GLY 113 N 1.75 0.46 3.92 -0.72 0.00 0.15 -4.90 105.19 105.85 1ckk n GLY 113 Ca -0.27 0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 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 3.56 -0.03 1.61 2.12 -1.05 -4.81 118.70 120.10 1ckk s GLU 114 Ca 0.00 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.19 1ckk s GLU 114 Cb 0.00 -2.70 0.07 0.00 0.26 0.00 0.00 34.13 31.75 1ckk s GLU 114 CO 0.00 0.25 0.96 0.36 -0.54 0.00 0.00 175.26 176.28 1ckk n LYS 115 N -1.09 1.92 0.00 4.30 2.85 -1.26 -2.62 118.16 122.25 1ckk n LYS 115 Ca -0.03 -1.56 0.00 0.00 -1.05 0.00 0.00 58.31 55.67 1ckk n LYS 115 Cb 0.54 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.92 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckk n LEU 116 N -0.61 0.00 0.00 -5.58 4.32 -1.26 -4.81 117.00 109.07 1ckk n LEU 116 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1ckk n LEU 116 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1ckk n LEU 116 CO 0.00 -0.03 0.00 0.41 -1.22 0.00 0.00 177.39 176.55 1ckk n THR 117 N -0.03 0.00 -0.09 -5.08 -1.04 -1.26 -5.01 114.28 101.78 1ckk n THR 117 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1ckk n THR 117 Cb 0.00 -0.98 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 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 -1.85 1.90 0.19 8.00 8.00 -1.26 -3.47 116.55 128.06 1ckk n ASP 118 Ca 0.00 0.42 0.10 0.00 0.71 0.00 0.00 54.79 56.02 1ckk n ASP 118 Cb 0.00 -0.78 0.64 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.00 0.04 -0.07 -1.24 4.11 -1.99 -1.52 114.58 112.91 1ckk h GLU 119 Ca -0.03 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1ckk h GLU 119 Cb 0.89 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1ckk h GLU 119 CO -0.02 0.02 -0.07 1.49 0.07 0.00 0.00 179.01 180.51 1ckk h GLU 120 N 0.04 0.17 -0.82 1.06 4.57 -1.98 0.17 114.58 117.78 1ckk h GLU 120 Ca 0.06 -0.09 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1ckk h GLU 120 Cb 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 1ckk h GLU 120 CO -0.00 0.61 0.51 0.28 -1.18 0.00 0.00 179.01 179.23 1ckk h VAL 121 N -0.26 1.04 -0.38 0.32 2.07 -1.38 0.58 116.25 118.24 1ckk h VAL 121 Ca 0.01 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1ckk h VAL 121 Cb 0.58 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1ckk h VAL 121 CO 0.02 0.17 -0.29 0.44 0.02 0.00 0.00 177.57 177.93 1ckk h ASP 122 N 0.93 0.90 0.11 0.57 3.32 -1.24 -2.72 116.42 118.29 1ckk h ASP 122 Ca 0.36 -0.44 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1ckk h ASP 122 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1ckk h ASP 122 CO -0.17 1.15 -0.16 -0.33 -1.72 0.00 0.00 179.24 178.02 1ckk h GLU 123 N 0.66 0.12 -0.32 3.56 5.08 -0.20 -1.33 114.58 122.15 1ckk h GLU 123 Ca 0.07 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1ckk h GLU 123 Cb 0.86 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1ckk h GLU 123 CO 0.08 0.28 -0.29 1.98 -1.00 0.00 0.00 179.01 180.06 1ckk h MET 124 N 0.11 0.76 0.00 2.33 4.05 -0.68 -2.58 114.93 118.92 1ckk h MET 124 Ca 0.02 -0.39 -0.06 0.00 -0.28 0.00 0.00 59.70 58.99 1ckk h MET 124 Cb 0.36 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1ckk h MET 124 CO 0.02 1.02 -0.28 0.82 0.23 0.00 0.00 176.91 178.72 1ckk h ILE 125 N 0.53 0.59 -0.09 1.77 1.08 -1.18 -3.10 117.51 117.11 1ckk h ILE 125 Ca 0.05 -1.41 -0.24 0.00 -0.39 0.00 0.00 64.86 62.87 1ckk h ILE 125 Cb 0.86 1.97 0.01 0.00 -3.07 0.00 0.00 36.82 36.59 1ckk h ILE 125 CO 0.07 0.28 -0.88 -0.09 -0.69 0.00 0.00 178.15 176.84 1ckk h ARG 126 N 0.00 0.75 0.00 2.37 2.43 -1.12 -1.77 114.38 117.05 1ckk h ARG 126 Ca -0.00 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 1ckk h ARG 126 Cb 0.94 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1ckk h ARG 126 CO 0.04 1.28 0.00 -0.85 -1.51 0.00 0.00 179.97 178.93 1ckk n GLU 127 N -3.92 0.08 -0.10 0.20 0.28 -0.99 -3.24 120.64 112.97 1ckk n GLU 127 Ca -0.09 0.09 -0.10 0.00 -0.16 0.00 0.00 57.16 56.91 1ckk n GLU 127 Cb 0.80 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 32.02 1ckk n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ckk n ALA 128 N -1.45 1.53 -1.52 -1.84 0.00 -1.16 -4.88 120.51 111.19 1ckk n ALA 128 Ca 0.07 -1.24 -0.39 0.00 0.00 0.00 0.00 53.44 51.87 1ckk n ALA 128 Cb 0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.48 1ckk n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckk n ASP 129 N -2.73 1.71 0.21 0.00 -0.08 -0.67 -4.75 116.55 110.24 1ckk n ASP 129 Ca -0.32 -0.19 0.06 0.00 -1.51 0.00 0.00 54.79 52.84 1ckk n ASP 129 Cb 1.11 -1.35 0.47 0.00 2.34 0.00 0.00 41.12 43.69 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1ckk h ILE 130 N 7.72 0.94 0.00 5.18 5.03 -1.89 -3.11 117.51 131.37 1ckk h ILE 130 Ca -0.19 -1.09 -0.17 0.00 -0.12 0.00 0.00 64.86 63.29 1ckk h ILE 130 Cb 1.29 1.64 -0.03 0.00 -3.03 0.00 0.00 36.82 36.68 1ckk h ILE 130 CO 1.21 0.28 -2.01 -0.90 -0.68 0.00 0.00 178.15 176.05 1ckk n ASP 131 N -3.82 0.84 -1.30 1.72 5.75 -1.26 -5.05 116.55 113.43 1ckk n ASP 131 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1ckk n ASP 131 Cb 0.38 1.33 0.00 0.00 -1.03 0.00 0.00 41.12 41.80 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 1.74 -0.24 0.00 6.12 0.00 -1.18 -5.02 105.19 106.61 1ckk n GLY 132 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.77 0.43 0.00 1.61 5.75 -1.26 -4.99 116.55 117.33 1ckk n ASP 133 Ca 0.00 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1ckk n ASP 133 Cb 0.33 0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 134 N 0.04 0.83 3.14 6.12 0.00 -1.26 -5.03 105.19 109.03 1ckk n GLY 134 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.60 0.74 -0.24 1.61 -0.21 -1.26 -4.53 119.66 115.16 1ckk s GLN 135 Ca 0.00 -1.15 -0.06 0.00 0.02 0.00 0.00 55.36 54.16 1ckk s GLN 135 Cb 0.00 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 1ckk s GLN 135 CO 0.00 -0.19 0.04 0.08 -2.12 0.00 0.00 175.29 173.11 1ckk s VAL 136 N -3.91 4.08 0.72 1.09 1.01 -0.67 -4.80 120.40 117.91 1ckk s VAL 136 Ca 0.08 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1ckk s VAL 136 Cb 0.07 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.59 1ckk s VAL 136 CO -0.09 0.36 1.09 0.21 0.00 0.00 0.00 175.10 176.67 1ckk s ASN 137 N 1.58 5.17 0.13 3.32 3.04 -1.26 -0.54 114.94 126.37 1ckk s ASN 137 Ca 0.06 0.93 -0.19 0.00 0.04 0.00 0.00 52.86 53.69 1ckk s ASN 137 Cb -0.15 -1.66 -0.03 0.00 -1.54 0.00 0.00 41.25 37.87 1ckk s ASN 137 CO 0.02 -1.47 1.74 0.22 -3.04 0.00 0.00 177.10 174.56 1ckk h TYR 138 N -0.69 0.07 -0.70 0.43 3.20 -1.97 -0.11 116.97 117.20 1ckk h TYR 138 Ca -0.45 0.01 0.19 0.00 3.14 0.00 0.00 58.73 61.62 1ckk h TYR 138 Cb 1.28 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 1ckk h TYR 138 CO 0.43 0.02 0.50 1.49 -1.64 0.00 0.00 178.16 178.97 1ckk h GLU 139 N 0.13 0.06 0.00 1.82 4.81 -1.93 -1.79 114.58 117.67 1ckk h GLU 139 Ca 0.09 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1ckk h GLU 139 Cb 0.09 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ckk h GLU 139 CO -0.12 0.04 -0.00 0.93 -0.73 0.00 0.00 179.01 179.13 1ckk h GLU 140 N 0.06 -0.00 -0.18 1.92 5.08 -1.53 -1.36 114.58 118.57 1ckk h GLU 140 Ca 0.34 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1ckk h GLU 140 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1ckk h GLU 140 CO -0.02 0.73 0.55 0.35 -1.00 0.00 0.00 179.01 179.62 1ckk h PHE 141 N -0.99 0.00 0.00 4.33 3.57 -0.40 -1.24 116.94 122.20 1ckk h PHE 141 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ckk h PHE 141 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1ckk h PHE 141 CO 0.20 0.00 -0.54 0.28 -2.23 0.00 0.00 178.31 176.02 1ckk n VAL 142 N -3.04 1.12 -0.29 1.41 0.31 -0.74 -4.02 118.33 113.09 1ckk n VAL 142 Ca 0.03 0.26 0.04 0.00 -0.01 0.00 0.00 64.34 64.65 1ckk n VAL 142 Cb 0.64 -2.18 0.12 0.00 -0.91 0.00 0.00 33.84 31.51 1ckk n VAL 142 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ckk h GLN 143 N -0.77 0.01 0.00 5.55 4.20 -0.86 1.69 115.11 124.93 1ckk h GLN 143 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ckk h GLN 143 Cb 0.54 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ckk h GLN 143 CO 0.00 0.01 0.05 1.98 -0.67 0.00 0.00 178.83 180.19 1ckk h MET 144 N 0.01 0.00 0.00 1.46 4.05 -1.46 -1.44 114.93 117.55 1ckk h MET 144 Ca 0.40 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.65 1ckk h MET 144 Cb 0.64 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.41 1ckk h MET 144 CO -0.82 0.00 -2.15 -1.33 0.23 0.00 0.00 176.91 172.84 1ckk n MET 145 N -2.92 0.67 -3.16 0.39 2.81 0.55 -4.63 117.12 110.84 1ckk n MET 145 Ca -0.03 -0.10 -0.24 0.00 -1.81 0.00 0.00 57.70 55.53 1ckk n MET 145 Cb 0.11 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 1ckk n MET 145 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ckk n THR 146 N -2.50 1.25 -1.25 2.03 5.66 0.38 -4.90 114.28 114.94 1ckk n THR 146 Ca -0.17 -4.92 -0.31 0.00 -3.05 0.00 0.00 64.05 55.60 1ckk n THR 146 Cb 0.84 -1.29 0.10 0.00 -1.55 0.00 0.00 70.33 68.43 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ckk n ALA 147 N 0.43 6.07 -1.47 1.79 0.00 -0.89 -4.78 120.51 121.66 1ckk n ALA 147 Ca 0.27 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.52 1ckk n ALA 147 Cb 0.50 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67