#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 -3.82 -4.36 0.00 8.00 -1.26 -4.88 116.55 110.24 1ckk n ASP 2 Ca 0.00 1.37 -0.46 0.00 0.71 0.00 0.00 54.79 56.41 1ckk n ASP 2 Cb 0.00 -5.17 -0.01 0.00 -0.02 0.00 0.00 41.12 35.92 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1ckk s GLN 3 N -1.07 3.92 -0.28 -1.24 1.11 -1.26 -5.01 119.66 115.83 1ckk s GLN 3 Ca -0.16 -2.76 -0.23 0.00 0.01 0.00 0.00 55.36 52.22 1ckk s GLN 3 Cb 0.01 -4.59 -0.00 0.00 -1.01 0.00 0.00 33.01 27.42 1ckk s GLN 3 CO 0.76 -1.35 0.77 -1.17 0.01 0.00 0.00 175.29 174.31 1ckk s LEU 4 N -0.13 4.08 -0.62 2.90 0.20 -1.26 -5.01 118.68 118.84 1ckk s LEU 4 Ca 0.27 0.78 -0.11 0.00 0.69 0.00 0.00 54.13 55.76 1ckk s LEU 4 Cb -0.09 -3.07 0.16 0.00 -0.43 0.00 0.00 46.19 42.76 1ckk s LEU 4 CO -0.08 -0.54 0.52 0.42 -0.29 0.00 0.00 176.35 176.38 1ckk s THR 5 N 2.84 4.75 0.46 3.68 -4.23 -1.26 -4.91 115.64 116.97 1ckk s THR 5 Ca 0.32 -2.13 0.15 0.00 -1.18 0.00 0.00 61.69 58.84 1ckk s THR 5 Cb -0.15 -4.04 0.32 0.00 1.34 0.00 0.00 72.50 69.97 1ckk s THR 5 CO 0.10 -0.89 2.03 -0.33 -0.54 0.00 0.00 174.62 174.99 1ckk h GLU 6 N 8.10 0.29 -0.09 3.99 4.39 -1.99 -2.27 114.58 127.00 1ckk h GLU 6 Ca -0.10 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.62 1ckk h GLU 6 Cb 1.05 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.59 1ckk h GLU 6 CO 0.84 0.19 -0.18 1.49 -1.16 0.00 0.00 179.01 180.19 1ckk h GLU 7 N 0.30 -0.24 0.30 2.33 4.81 -1.99 0.65 114.58 120.73 1ckk h GLU 7 Ca 0.20 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1ckk h GLU 7 Cb 0.39 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1ckk h GLU 7 CO -0.04 -0.16 -0.14 1.96 -0.73 0.00 0.00 179.01 179.89 1ckk h GLN 8 N -0.25 -0.38 -0.99 1.92 4.20 -1.85 -2.34 115.11 115.42 1ckk h GLN 8 Ca 0.08 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.95 1ckk h GLN 8 Cb 0.37 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.15 1ckk h GLN 8 CO -0.24 -0.19 0.62 0.82 -0.67 0.00 0.00 178.83 179.18 1ckk h ILE 9 N -0.49 0.88 -0.08 2.54 5.03 -1.18 -1.31 117.51 122.90 1ckk h ILE 9 Ca -0.04 -0.32 0.03 0.00 -0.12 0.00 0.00 64.86 64.42 1ckk h ILE 9 Cb 0.37 -0.13 -0.04 0.00 -3.03 0.00 0.00 36.82 33.99 1ckk h ILE 9 CO 0.07 0.17 -0.14 0.00 -0.68 0.00 0.00 178.15 177.57 1ckk h ALA 10 N 1.56 -0.09 -0.59 1.87 0.00 0.75 0.14 119.26 122.90 1ckk h ALA 10 Ca 0.50 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.57 1ckk h ALA 10 Cb 0.58 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1ckk h ALA 10 CO -0.27 -0.61 -0.07 1.49 0.00 0.00 0.00 179.25 179.79 1ckk h GLU 11 N -0.19 0.05 -0.51 0.00 4.22 -0.74 0.27 114.58 117.69 1ckk h GLU 11 Ca 0.08 -0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.51 1ckk h GLU 11 Cb 0.30 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1ckk h GLU 11 CO -0.20 0.04 0.32 0.74 -2.18 0.00 0.00 179.01 177.72 1ckk h PHE 12 N 0.05 0.66 -0.76 0.92 0.04 -1.03 -1.45 116.94 115.38 1ckk h PHE 12 Ca 0.30 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.14 1ckk h PHE 12 Cb 0.47 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 1ckk h PHE 12 CO -0.42 0.44 0.50 -0.22 -0.60 0.00 0.00 178.31 178.01 1ckk h LYS 13 N 0.68 0.76 0.24 1.51 1.63 0.20 -1.99 116.57 119.60 1ckk h LYS 13 Ca 0.18 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1ckk h LYS 13 Cb -0.03 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1ckk h LYS 13 CO -0.04 0.50 -0.13 1.49 -3.45 0.00 0.00 179.45 177.83 1ckk h GLU 14 N 0.78 -0.33 -0.89 1.90 4.57 0.46 0.13 114.58 121.21 1ckk h GLU 14 Ca 0.33 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.68 1ckk h GLU 14 Cb 0.29 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.86 1ckk h GLU 14 CO -0.12 -0.22 0.49 0.00 -1.18 0.00 0.00 179.01 177.98 1ckk h ALA 15 N 0.41 1.35 -0.41 2.92 0.00 -0.98 0.79 119.26 123.34 1ckk h ALA 15 Ca -0.03 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ckk h ALA 15 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1ckk h ALA 15 CO 0.04 -0.03 0.04 0.35 0.00 0.00 0.00 179.25 179.65 1ckk h PHE 16 N 0.70 0.76 0.00 0.00 3.57 -0.87 -2.32 116.94 118.78 1ckk h PHE 16 Ca 0.48 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 1ckk h PHE 16 Cb 0.64 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1ckk h PHE 16 CO -0.07 0.75 -0.26 1.03 -2.23 0.00 0.00 178.31 177.53 1ckk h SER 17 N 0.55 0.00 -0.41 0.41 0.87 0.12 -2.27 113.55 112.81 1ckk h SER 17 Ca 0.12 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1ckk h SER 17 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1ckk h SER 17 CO 0.01 0.26 -0.11 0.25 -0.53 0.00 0.00 176.83 176.72 1ckk h LEU 18 N 0.00 0.81 -0.21 2.23 6.46 0.10 -3.11 115.31 121.59 1ckk h LEU 18 Ca -0.00 -0.36 -0.21 0.00 -0.12 0.00 0.00 57.88 57.18 1ckk h LEU 18 Cb 0.70 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 40.41 1ckk h LEU 18 CO 0.03 0.99 -0.74 -0.26 -0.62 0.00 0.00 178.44 177.84 1ckk h PHE 19 N 0.62 1.01 -0.43 1.25 0.04 -1.28 -3.40 116.94 114.74 1ckk h PHE 19 Ca 0.10 -0.43 -0.09 0.00 2.80 0.00 0.00 57.97 60.35 1ckk h PHE 19 Cb 0.64 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1ckk h PHE 19 CO 0.05 1.26 0.23 0.34 -0.60 0.00 0.00 178.31 179.58 1ckk s ASP 20 N -7.07 4.20 -0.19 2.17 2.15 -0.87 -4.61 116.67 112.44 1ckk s ASP 20 Ca -0.10 -0.25 0.02 0.00 0.43 0.00 0.00 52.55 52.65 1ckk s ASP 20 Cb 0.09 -2.56 0.27 0.00 -0.30 0.00 0.00 42.92 40.43 1ckk s ASP 20 CO 0.89 -3.63 1.42 1.17 -0.17 0.00 0.00 175.17 174.86 1ckk n LYS 21 N 8.78 1.53 0.00 4.34 3.00 -1.26 -4.06 118.16 130.49 1ckk n LYS 21 Ca 0.45 -1.26 0.00 0.00 -0.00 0.00 0.00 58.31 57.50 1ckk n LYS 21 Cb 0.44 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.98 1ckk n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ckk n ASP 22 N -0.14 0.00 0.00 3.14 5.75 -1.26 -5.12 116.55 118.91 1ckk n ASP 22 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1ckk n ASP 22 Cb 0.96 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 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 0.95 0.10 0.48 6.12 0.00 -1.26 -5.08 105.19 106.50 1ckk n GLY 23 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.00 0.00 1.61 5.75 -1.26 -5.03 116.55 117.62 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 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.33 1.68 2.85 6.12 0.00 -1.26 -5.11 105.19 108.14 1ckk n GLY 25 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.28 -0.33 2.61 -4.23 -1.26 -4.12 115.64 106.03 1ckk s THR 26 Ca 0.00 0.32 -0.27 0.00 -1.18 0.00 0.00 61.69 60.56 1ckk s THR 26 Cb 0.00 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.52 1ckk s THR 26 CO 0.00 0.13 0.99 -0.63 -0.54 0.00 0.00 174.62 174.57 1ckk s ILE 27 N 2.31 4.57 0.43 2.99 1.01 -0.93 -4.81 121.20 126.76 1ckk s ILE 27 Ca 0.03 1.51 -0.07 0.00 0.00 0.00 0.00 60.65 62.12 1ckk s ILE 27 Cb -0.12 -4.35 0.10 0.00 0.01 0.00 0.00 42.46 38.09 1ckk s ILE 27 CO -0.06 -0.46 0.58 0.35 0.00 0.00 0.00 174.94 175.34 1ckk n THR 28 N 5.85 0.00 -0.03 2.92 -2.24 -1.26 -2.42 114.28 117.11 1ckk n THR 28 Ca 0.09 -0.44 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1ckk n THR 28 Cb 0.47 -1.77 -0.11 0.00 -2.10 0.00 0.00 70.33 66.83 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 -1.32 1.52 -0.44 4.28 1.35 -1.96 -3.26 112.91 113.08 1ckk h THR 29 Ca -0.19 -1.53 -0.12 0.00 -0.55 0.00 0.00 66.41 64.02 1ckk h THR 29 Cb 0.52 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 1ckk h THR 29 CO 0.13 0.40 -0.21 0.50 -0.25 0.00 0.00 175.52 176.10 1ckk h LYS 30 N -0.64 0.92 -0.83 4.72 3.64 -1.98 -2.53 116.57 119.87 1ckk h LYS 30 Ca -0.00 -0.40 0.18 0.00 -1.27 0.00 0.00 60.65 59.16 1ckk h LYS 30 Cb 0.66 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.30 1ckk h LYS 30 CO 0.00 1.05 -0.11 0.93 -2.27 0.00 0.00 179.45 179.06 1ckk h GLU 31 N 0.75 0.03 -0.13 1.90 5.08 -1.90 0.95 114.58 121.26 1ckk h GLU 31 Ca 0.10 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1ckk h GLU 31 Cb 0.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1ckk h GLU 31 CO 0.06 0.02 -0.57 1.25 -1.00 0.00 0.00 179.01 178.78 1ckk h LEU 32 N 0.03 0.45 -0.34 1.33 5.85 -1.58 -2.80 115.31 118.25 1ckk h LEU 32 Ca 0.43 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1ckk h LEU 32 Cb 0.73 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1ckk h LEU 32 CO -0.80 0.92 0.21 1.23 -0.34 0.00 0.00 178.44 179.65 1ckk h GLY 33 N 1.24 0.47 0.88 3.75 0.00 0.11 0.38 103.07 109.91 1ckk h GLY 33 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ckk h GLY 33 CO 0.10 0.15 -0.22 -0.84 0.00 0.00 0.00 176.54 175.72 1ckk h THR 34 N 0.42 0.53 -0.70 4.70 2.02 -0.20 0.62 112.91 120.31 1ckk h THR 34 Ca 0.13 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 1ckk h THR 34 Cb -0.02 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 1ckk h THR 34 CO -0.05 0.00 0.46 0.58 0.37 0.00 0.00 175.52 176.88 1ckk h VAL 35 N -0.56 0.96 -0.03 3.16 2.07 -1.22 -1.68 116.25 118.95 1ckk h VAL 35 Ca -0.03 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1ckk h VAL 35 Cb 0.47 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ckk h VAL 35 CO 0.03 0.11 0.01 0.24 0.02 0.00 0.00 177.57 177.99 1ckk h MET 36 N 0.63 0.05 -0.61 1.57 2.86 0.75 -2.11 114.93 118.07 1ckk h MET 36 Ca 0.31 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 58.11 1ckk h MET 36 Cb 0.41 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 1ckk h MET 36 CO -0.11 0.21 0.43 -0.09 1.06 0.00 0.00 176.91 178.42 1ckk h ARG 37 N -0.12 0.04 -0.24 1.72 2.43 0.01 -1.31 114.38 116.91 1ckk h ARG 37 Ca 0.01 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1ckk h ARG 37 Cb 0.18 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 1ckk h ARG 37 CO -0.00 0.03 -0.07 0.77 -1.51 0.00 0.00 179.97 179.19 1ckk h SER 38 N 0.04 -0.25 -0.93 -3.80 0.02 -0.90 -0.64 113.55 107.09 1ckk h SER 38 Ca 0.29 0.08 0.19 0.00 -0.84 0.00 0.00 61.79 61.51 1ckk h SER 38 Cb 1.10 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.73 1ckk h SER 38 CO -0.02 -0.09 0.60 -0.07 -1.14 0.00 0.00 176.83 176.11 1ckk h LEU 39 N -0.02 0.55 0.00 5.07 3.38 -1.26 -3.44 115.31 119.60 1ckk h LEU 39 Ca 0.12 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ckk h LEU 39 Cb 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ckk h LEU 39 CO -0.26 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1ckk n GLY 40 N -1.45 0.54 0.00 0.83 0.00 -0.25 -5.01 105.19 99.85 1ckk n GLY 40 Ca 0.20 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1ckk n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ckk n GLN 41 N 0.00 0.00 -3.74 1.61 6.02 -1.25 -5.06 117.38 114.95 1ckk n GLN 41 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1ckk n GLN 41 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 1ckk n GLN 41 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ckk s ASN 42 N 0.06 3.74 -0.60 1.08 2.47 -1.26 -4.65 114.94 115.78 1ckk s ASN 42 Ca 0.00 -3.44 -0.27 0.00 0.42 0.00 0.00 52.86 49.57 1ckk s ASN 42 Cb 0.00 -1.24 0.00 0.00 -1.45 0.00 0.00 41.25 38.56 1ckk s ASN 42 CO 0.00 -0.14 1.59 -2.16 -3.72 0.00 0.00 177.10 172.67 1ckk s PRO 43 N -0.75 3.03 0.86 0.43 0.04 -1.26 -5.00 135.00 132.34 1ckk s PRO 43 Ca 0.26 0.46 -0.13 0.00 0.04 0.00 0.00 61.00 61.62 1ckk s PRO 43 Cb -0.06 -4.24 0.12 0.00 0.04 0.00 0.00 34.50 30.35 1ckk s PRO 43 CO -0.14 -2.27 1.21 -0.08 0.04 0.00 0.00 177.00 175.76 1ckk s THR 44 N 7.20 2.00 -0.08 1.26 -1.32 -1.26 -4.94 115.64 118.50 1ckk s THR 44 Ca 0.57 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.20 1ckk s THR 44 Cb -0.12 -2.98 0.05 0.00 -1.51 0.00 0.00 72.50 67.94 1ckk s THR 44 CO 0.22 0.00 1.47 1.05 -2.21 0.00 0.00 174.62 175.15 1ckk h GLU 45 N -1.24 0.00 0.28 7.08 9.09 -1.98 -3.01 114.58 124.79 1ckk h GLU 45 Ca -0.46 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.94 1ckk h GLU 45 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 1ckk h GLU 45 CO 0.58 0.53 -0.13 0.00 0.05 0.00 0.00 179.01 180.04 1ckk h ALA 46 N 1.47 -0.70 -0.69 1.06 0.00 -2.00 -2.50 119.26 115.90 1ckk h ALA 46 Ca -0.01 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1ckk h ALA 46 Cb 1.35 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 1ckk h ALA 46 CO 0.07 -0.67 0.27 0.93 0.00 0.00 0.00 179.25 179.85 1ckk h GLU 47 N -0.56 0.43 -0.84 0.00 4.39 -1.98 -0.06 114.58 115.95 1ckk h GLU 47 Ca -0.04 -0.03 0.16 0.00 0.34 0.00 0.00 59.36 59.80 1ckk h GLU 47 Cb 0.29 -0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.74 1ckk h GLU 47 CO 0.06 0.28 0.40 -0.07 -1.16 0.00 0.00 179.01 178.52 1ckk h LEU 48 N 0.44 0.43 -0.44 1.33 3.38 -1.58 0.32 115.31 119.19 1ckk h LEU 48 Ca 0.36 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1ckk h LEU 48 Cb 0.50 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1ckk h LEU 48 CO -0.35 0.14 0.29 -0.61 0.09 0.00 0.00 178.44 178.00 1ckk h GLN 49 N 0.53 0.58 0.00 1.13 5.75 -0.54 0.16 115.11 122.72 1ckk h GLN 49 Ca 0.48 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.94 1ckk h GLN 49 Cb 0.75 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1ckk h GLN 49 CO -0.41 0.38 0.00 -0.25 -2.65 0.00 0.00 178.83 175.90 1ckk n ASP 50 N -4.78 0.54 -0.09 -0.69 9.92 -0.02 -2.26 116.55 119.16 1ckk n ASP 50 Ca 0.01 0.67 -0.23 0.00 -0.53 0.00 0.00 54.79 54.70 1ckk n ASP 50 Cb 0.02 -0.77 -0.12 0.00 -0.64 0.00 0.00 41.12 39.62 1ckk n ASP 50 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1ckk n MET 51 N -2.13 0.63 -0.24 -1.24 2.81 -0.11 -4.32 117.12 112.51 1ckk n MET 51 Ca 0.01 0.36 -0.01 0.00 -1.81 0.00 0.00 57.70 56.25 1ckk n MET 51 Cb 0.16 -1.63 0.21 0.00 -0.71 0.00 0.00 33.22 31.24 1ckk n MET 51 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1ckk h ILE 52 N -0.62 1.21 -0.87 2.02 6.09 -0.68 -1.71 117.51 122.95 1ckk h ILE 52 Ca -0.50 -0.46 0.25 0.00 -1.37 0.00 0.00 64.86 62.78 1ckk h ILE 52 Cb 1.64 0.12 -0.03 0.00 0.47 0.00 0.00 36.82 39.02 1ckk h ILE 52 CO -0.19 0.22 0.64 0.78 -3.07 0.00 0.00 178.15 176.53 1ckk h ASN 53 N 1.06 0.00 0.48 2.19 -0.26 -1.64 0.69 115.58 118.09 1ckk h ASN 53 Ca 0.28 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.99 1ckk h ASN 53 Cb -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1ckk h ASN 53 CO -0.05 0.00 -0.23 -0.33 -1.06 0.00 0.00 177.43 175.76 1ckk h GLU 54 N 0.00 -0.62 0.00 0.81 4.39 -1.50 -2.83 114.58 114.83 1ckk h GLU 54 Ca 0.41 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.15 1ckk h GLU 54 Cb 1.68 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1ckk h GLU 54 CO -0.00 -0.31 0.00 0.28 -1.16 0.00 0.00 179.01 177.81 1ckk n VAL 55 N -5.27 0.81 -1.40 3.13 0.31 -0.59 -4.47 118.33 110.85 1ckk n VAL 55 Ca -0.11 0.19 -0.23 0.00 -0.01 0.00 0.00 64.34 64.18 1ckk n VAL 55 Cb 0.31 -1.11 -0.11 0.00 -0.91 0.00 0.00 33.84 32.02 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 -2.21 1.49 0.24 4.52 2.03 0.13 -4.73 116.55 118.02 1ckk n ASP 56 Ca 0.02 -2.52 -0.12 0.00 0.52 0.00 0.00 54.79 52.69 1ckk n ASP 56 Cb 0.24 -1.47 -0.06 0.00 -0.72 0.00 0.00 41.12 39.11 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 11.02 -1.09 -0.37 -1.67 0.00 -1.85 -3.15 119.26 122.15 1ckk h ALA 57 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ckk h ALA 57 Cb 0.92 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ckk h ALA 57 CO 1.27 -1.08 -0.01 0.38 0.00 0.00 0.00 179.25 179.80 1ckk h ASP 58 N -0.72 0.65 0.00 0.00 2.03 -1.95 -3.47 116.42 112.96 1ckk h ASP 58 Ca -0.06 -0.32 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 1ckk h ASP 58 Cb 0.59 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.91 1ckk h ASP 58 CO 0.03 0.81 0.00 0.61 -1.03 0.00 0.00 179.24 179.66 1ckk n GLY 59 N -0.32 0.97 0.13 7.15 0.00 -1.19 -5.05 105.19 106.87 1ckk n GLY 59 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1ckk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 60 N 0.00 1.98 0.00 1.61 6.94 -1.26 -5.02 115.26 119.51 1ckk n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ckk n ASN 60 Cb 0.00 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 36.88 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 61 N 1.98 0.92 3.52 4.83 0.00 -1.26 -5.13 105.19 110.05 1ckk n GLY 61 Ca -0.48 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.38 2.65 0.15 2.61 -4.23 -1.26 -4.70 115.64 110.48 1ckk s THR 62 Ca 0.00 -2.26 -0.01 0.00 -1.18 0.00 0.00 61.69 58.24 1ckk s THR 62 Cb 0.00 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1ckk s THR 62 CO 0.00 -0.36 0.33 -0.63 -0.54 0.00 0.00 174.62 173.42 1ckk s ILE 63 N -2.49 5.26 0.05 2.99 -1.09 -1.01 -4.81 121.20 120.11 1ckk s ILE 63 Ca 0.31 -0.35 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 1ckk s ILE 63 Cb -0.04 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1ckk s ILE 63 CO 0.16 -0.04 -0.13 -1.81 -1.23 0.00 0.00 174.94 171.89 1ckk s ASP 64 N -2.88 1.49 0.26 3.58 1.01 -1.26 -2.19 116.67 116.69 1ckk s ASP 64 Ca 0.37 -0.53 -0.11 0.00 0.71 0.00 0.00 52.55 52.99 1ckk s ASP 64 Cb -0.12 -0.05 0.38 0.00 1.01 0.00 0.00 42.92 44.14 1ckk s ASP 64 CO 0.28 -0.06 1.56 0.15 0.21 0.00 0.00 175.17 177.31 1ckk h PHE 65 N 4.60 -0.68 -0.19 4.23 3.57 -1.99 1.00 116.94 127.48 1ckk h PHE 65 Ca -0.39 0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 1ckk h PHE 65 Cb 1.19 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1ckk h PHE 65 CO 0.59 -0.41 -0.21 -1.00 -2.23 0.00 0.00 178.31 175.05 1ckk h PRO 66 N -0.00 0.34 -0.00 6.41 0.13 -1.96 -2.15 132.00 134.76 1ckk h PRO 66 Ca 0.43 -0.11 -0.10 0.00 -0.87 0.00 0.00 66.00 65.35 1ckk h PRO 66 Cb 0.67 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1ckk h PRO 66 CO -0.99 0.53 -0.49 0.93 -0.23 0.00 0.00 178.00 177.75 1ckk h GLU 67 N 0.31 0.00 0.35 0.86 5.08 0.50 -2.82 114.58 118.85 1ckk h GLU 67 Ca 0.05 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1ckk h GLU 67 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ckk h GLU 67 CO 0.04 0.49 -0.17 0.35 -1.00 0.00 0.00 179.01 178.72 1ckk h PHE 68 N 0.00 -0.43 -0.41 4.33 3.57 0.01 -0.56 116.94 123.46 1ckk h PHE 68 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1ckk h PHE 68 Cb 0.87 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.69 1ckk h PHE 68 CO 0.00 -0.12 0.01 -0.07 -2.23 0.00 0.00 178.31 175.90 1ckk h LEU 69 N -0.74 -0.15 -1.79 0.59 4.07 -1.50 0.49 115.31 116.28 1ckk h LEU 69 Ca -0.05 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1ckk h LEU 69 Cb 0.50 0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 1ckk h LEU 69 CO 0.08 -0.04 -0.15 0.71 -1.08 0.00 0.00 178.44 177.96 1ckk h THR 70 N 0.12 0.91 0.89 0.22 1.35 -1.47 -3.16 112.91 111.75 1ckk h THR 70 Ca 0.20 -0.55 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 1ckk h THR 70 Cb 0.28 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1ckk h THR 70 CO -0.33 0.15 -0.43 -0.03 -0.25 0.00 0.00 175.52 174.63 1ckk h MET 71 N 0.00 -1.15 0.00 4.72 -1.53 0.78 -2.45 114.93 115.30 1ckk h MET 71 Ca -0.00 0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 1ckk h MET 71 Cb 0.30 0.26 0.00 0.00 -0.55 0.00 0.00 31.60 31.61 1ckk h MET 71 CO 0.02 -0.76 0.35 0.52 0.14 0.00 0.00 176.91 177.18 1ckk h MET 72 N -1.28 0.00 -0.00 0.39 2.86 -1.46 0.70 114.93 116.13 1ckk h MET 72 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1ckk h MET 72 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1ckk h MET 72 CO 0.20 0.00 -0.36 0.00 1.06 0.00 0.00 176.91 177.81 1ckk n ALA 73 N -1.64 3.23 -0.09 6.32 0.00 -0.93 -3.79 120.51 123.61 1ckk n ALA 73 Ca -0.01 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.92 1ckk n ALA 73 Cb 0.38 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.41 0.67 0.21 0.00 0.63 0.24 -4.36 116.66 112.64 1ckk n ARG 74 Ca 0.07 0.25 0.07 0.00 -0.92 0.00 0.00 57.85 57.32 1ckk n ARG 74 Cb 0.33 -1.60 0.46 0.00 0.45 0.00 0.00 32.46 32.10 1ckk n ARG 74 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1ckk h LYS 75 N -0.24 0.00 0.00 -0.14 1.79 -1.70 -2.88 116.57 113.39 1ckk h LYS 75 Ca -0.52 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.90 1ckk h LYS 75 Cb 1.84 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.48 1ckk h LYS 75 CO -0.10 0.29 -0.21 0.52 -1.08 0.00 0.00 179.45 178.87 1ckk h MET 76 N 0.00 0.00 -2.11 3.15 2.86 -1.76 -3.33 114.93 113.74 1ckk h MET 76 Ca -0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.06 1ckk h MET 76 Cb 0.68 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.95 1ckk h MET 76 CO 0.04 0.21 -0.97 1.63 1.06 0.00 0.00 176.91 178.88 1ckk n LYS 77 N -3.91 1.07 0.09 1.72 4.76 -1.09 -4.48 118.16 116.32 1ckk n LYS 77 Ca -0.02 -3.56 0.00 0.00 -2.87 0.00 0.00 58.31 51.86 1ckk n LYS 77 Cb 0.30 -1.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ckk n ASP 78 N 1.46 -0.59 -0.88 4.39 2.03 -1.23 -4.97 116.55 116.77 1ckk n ASP 78 Ca 0.24 0.33 -0.01 0.00 0.52 0.00 0.00 54.79 55.87 1ckk n ASP 78 Cb 0.49 0.70 -0.00 0.00 -0.72 0.00 0.00 41.12 41.59 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 -3.04 0.00 -2.65 5.18 5.66 -1.26 -5.06 114.28 113.10 1ckk n THR 79 Ca 0.00 -0.03 -0.04 0.00 -3.05 0.00 0.00 64.05 60.93 1ckk n THR 79 Cb 0.00 0.20 0.07 0.00 -1.55 0.00 0.00 70.33 69.06 1ckk n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1ckk n ASP 80 N -0.05 -1.02 -0.03 1.09 2.03 -1.26 -5.03 116.55 112.29 1ckk n ASP 80 Ca -0.02 -1.34 -0.01 0.00 0.52 0.00 0.00 54.79 53.94 1ckk n ASP 80 Cb 0.37 0.51 -0.00 0.00 -0.72 0.00 0.00 41.12 41.28 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1ckk h SER 81 N 3.19 0.00 1.04 1.67 0.87 -1.79 -3.37 113.55 115.17 1ckk h SER 81 Ca -0.21 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.21 1ckk h SER 81 Cb 1.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1ckk h SER 81 CO -0.26 0.29 -1.02 -0.33 -0.53 0.00 0.00 176.83 174.99 1ckk h GLU 82 N -0.50 0.00 0.00 2.24 3.07 -1.95 -3.27 114.58 114.16 1ckk h GLU 82 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ckk h GLU 82 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1ckk h GLU 82 CO 0.00 0.40 0.01 1.49 -1.40 0.00 0.00 179.01 179.50 1ckk h GLU 83 N 0.00 0.00 -0.18 2.33 4.57 -1.96 -1.42 114.58 117.92 1ckk h GLU 83 Ca -0.09 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.98 1ckk h GLU 83 Cb 1.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 1ckk h GLU 83 CO 0.06 0.00 -0.37 1.49 -1.18 0.00 0.00 179.01 179.01 1ckk h GLU 84 N 0.00 0.38 -0.05 1.92 4.81 -1.72 -2.62 114.58 117.30 1ckk h GLU 84 Ca 0.00 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1ckk h GLU 84 Cb 0.01 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ckk h GLU 84 CO 0.00 0.70 0.00 0.82 -0.73 0.00 0.00 179.01 179.80 1ckk h ILE 85 N 0.32 1.03 -0.28 2.32 2.04 -1.50 -0.95 117.51 120.50 1ckk h ILE 85 Ca 0.03 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1ckk h ILE 85 Cb 0.80 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1ckk h ILE 85 CO 0.06 0.04 -0.00 -0.09 0.00 0.00 0.00 178.15 178.16 1ckk h ARG 86 N 0.07 0.43 -0.03 2.37 2.43 -1.60 -1.67 114.38 116.37 1ckk h ARG 86 Ca 0.02 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1ckk h ARG 86 Cb 0.05 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1ckk h ARG 86 CO 0.00 0.46 -0.15 0.93 -1.51 0.00 0.00 179.97 179.70 1ckk h GLU 87 N 0.41 0.16 0.00 0.20 3.07 -1.25 -2.70 114.58 114.47 1ckk h GLU 87 Ca 0.09 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1ckk h GLU 87 Cb 0.28 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1ckk h GLU 87 CO 0.01 0.78 -0.03 0.00 -1.40 0.00 0.00 179.01 178.36 1ckk h ALA 88 N 0.38 1.72 -0.03 3.43 0.00 -1.33 -2.25 119.26 121.18 1ckk h ALA 88 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ckk h ALA 88 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1ckk h ALA 88 CO 0.03 0.04 -0.04 0.35 0.00 0.00 0.00 179.25 179.63 1ckk h PHE 89 N 0.00 0.10 -0.79 0.00 3.57 -1.24 -2.65 116.94 115.93 1ckk h PHE 89 Ca -0.00 -0.03 0.23 0.00 3.53 0.00 0.00 57.97 61.70 1ckk h PHE 89 Cb 0.07 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1ckk h PHE 89 CO 0.00 0.57 0.57 -0.09 -2.23 0.00 0.00 178.31 177.13 1ckk h ARG 90 N -0.40 0.02 -0.09 1.11 9.65 -1.08 -0.25 114.38 123.33 1ckk h ARG 90 Ca 0.00 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1ckk h ARG 90 Cb 0.56 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1ckk h ARG 90 CO 0.01 0.01 -0.07 0.28 2.80 0.00 0.00 179.97 182.99 1ckk h VAL 91 N 0.02 1.35 -0.56 0.20 2.07 -1.12 -3.23 116.25 114.98 1ckk h VAL 91 Ca 0.38 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 1ckk h VAL 91 Cb 1.49 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1ckk h VAL 91 CO -0.01 0.33 0.27 -0.26 0.02 0.00 0.00 177.57 177.92 1ckk h PHE 92 N -0.19 0.81 0.00 1.57 0.04 -0.79 -3.20 116.94 115.18 1ckk h PHE 92 Ca 0.02 -0.04 -0.24 0.00 2.80 0.00 0.00 57.97 60.51 1ckk h PHE 92 Cb 0.57 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1ckk h PHE 92 CO 0.08 0.62 1.80 -0.25 -0.60 0.00 0.00 178.31 179.96 1ckk n ASP 93 N -4.56 3.40 -0.28 2.17 8.00 -0.72 -4.67 116.55 119.88 1ckk n ASP 93 Ca 0.03 -2.17 -0.09 0.00 0.71 0.00 0.00 54.79 53.27 1ckk n ASP 93 Cb 0.12 -0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 40.27 1ckk n ASP 93 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ckk h LYS 94 N 6.34 -0.04 -0.67 -1.24 3.64 -1.74 0.59 116.57 123.45 1ckk h LYS 94 Ca 0.31 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1ckk h LYS 94 Cb 0.22 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1ckk h LYS 94 CO 1.15 -0.03 0.24 0.38 -2.27 0.00 0.00 179.45 178.91 1ckk h ASP 95 N -0.05 0.95 0.00 4.20 2.03 -1.93 -3.47 116.42 118.15 1ckk h ASP 95 Ca 0.11 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.22 1ckk h ASP 95 Cb 0.33 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1ckk h ASP 95 CO -0.66 0.88 0.00 0.61 -1.03 0.00 0.00 179.24 179.04 1ckk n GLY 96 N -0.78 0.98 0.03 7.15 0.00 0.20 -5.02 105.19 107.75 1ckk n GLY 96 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 1ckk n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 97 N 0.00 0.08 0.00 1.61 6.94 -1.26 -4.99 115.26 117.64 1ckk n ASN 97 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1ckk n ASN 97 Cb 0.00 1.75 0.00 0.00 -2.36 0.00 0.00 39.78 39.17 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 1.30 1.61 3.51 4.83 0.00 -1.26 -5.11 105.19 110.07 1ckk n GLY 98 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.63 0.18 1.61 2.02 -1.26 -4.47 117.35 112.79 1ckk s TYR 99 Ca 0.00 1.12 0.10 0.00 -0.37 0.00 0.00 57.07 57.92 1ckk s TYR 99 Cb 0.00 0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.89 1ckk s TYR 99 CO 0.00 -0.58 -0.16 0.42 -1.57 0.00 0.00 175.55 173.67 1ckk s ILE 100 N -1.09 2.86 0.03 2.71 1.01 -0.43 -4.69 121.20 121.62 1ckk s ILE 100 Ca -0.10 -1.77 -0.08 0.00 0.00 0.00 0.00 60.65 58.70 1ckk s ILE 100 Cb -0.01 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1ckk s ILE 100 CO 0.09 -0.09 0.17 -0.55 0.00 0.00 0.00 174.94 174.56 1ckk s SER 101 N -2.69 0.06 0.56 3.58 0.15 -1.26 -2.09 113.70 112.02 1ckk s SER 101 Ca 0.23 -0.38 0.39 0.00 0.70 0.00 0.00 55.95 56.89 1ckk s SER 101 Cb -0.09 0.26 1.51 0.00 -1.71 0.00 0.00 66.02 66.00 1ckk s SER 101 CO 0.13 -0.52 1.65 0.00 1.20 0.00 0.00 173.24 175.70 1ckk h ALA 102 N 3.61 3.28 0.06 5.45 0.00 -1.94 0.34 119.26 130.06 1ckk h ALA 102 Ca -0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ckk h ALA 102 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ckk h ALA 102 CO 0.48 -1.79 -0.03 0.00 0.00 0.00 0.00 179.25 177.91 1ckk h ALA 103 N 1.13 -0.09 -0.65 0.00 0.00 -1.98 -2.33 119.26 115.34 1ckk h ALA 103 Ca 0.65 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.35 1ckk h ALA 103 Cb 2.81 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 20.59 1ckk h ALA 103 CO -0.01 -0.29 0.43 0.93 0.00 0.00 0.00 179.25 180.31 1ckk h GLU 104 N -0.61 0.74 -0.60 0.00 5.08 -0.72 -1.52 114.58 116.95 1ckk h GLU 104 Ca -0.01 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1ckk h GLU 104 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ckk h GLU 104 CO 0.01 0.49 0.10 1.25 -1.00 0.00 0.00 179.01 179.86 1ckk h LEU 105 N 0.76 0.96 -2.03 1.33 6.46 -1.26 -1.71 115.31 119.82 1ckk h LEU 105 Ca 0.26 -0.26 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1ckk h LEU 105 Cb 0.09 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 1ckk h LEU 105 CO -0.07 0.97 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.54 1ckk h ARG 106 N 0.90 0.00 0.04 1.25 9.65 -0.72 -0.10 114.38 125.40 1ckk h ARG 106 Ca 0.18 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.84 1ckk h ARG 106 Cb 0.42 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 1ckk h ARG 106 CO 0.01 0.09 -1.04 0.45 2.80 0.00 0.00 179.97 182.28 1ckk h HIS 107 N 0.00 0.17 0.01 2.20 3.86 -0.75 -2.72 115.15 117.92 1ckk h HIS 107 Ca -0.00 -0.12 -0.26 0.00 -1.16 0.00 0.00 60.37 58.83 1ckk h HIS 107 Cb 0.29 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.71 1ckk h HIS 107 CO 0.00 1.06 -1.40 -0.24 0.86 0.00 0.00 177.93 178.21 1ckk h VAL 108 N 0.03 1.24 -0.09 2.45 3.04 -0.77 -3.12 116.25 119.04 1ckk h VAL 108 Ca -0.05 -3.01 -0.22 0.00 -1.01 0.00 0.00 66.70 62.41 1ckk h VAL 108 Cb 1.77 2.63 0.01 0.00 -2.01 0.00 0.00 31.29 33.69 1ckk h VAL 108 CO 0.15 0.72 -0.81 0.00 -1.01 0.00 0.00 177.57 176.63 1ckk h MET 109 N 0.01 0.70 0.00 4.17 3.00 -1.12 -2.70 114.93 118.98 1ckk h MET 109 Ca -0.17 -0.64 -0.04 0.00 0.00 0.00 0.00 59.70 58.85 1ckk h MET 109 Cb 1.91 0.15 -0.01 0.00 0.00 0.00 0.00 31.60 33.66 1ckk h MET 109 CO 0.11 1.24 -0.20 1.15 0.00 0.00 0.00 176.91 179.21 1ckk h THR 110 N 0.38 0.49 -0.00 -0.10 2.02 -1.24 -2.28 112.91 112.19 1ckk h THR 110 Ca -0.08 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1ckk h THR 110 Cb 1.45 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 1ckk h THR 110 CO 0.16 0.20 -0.21 0.59 0.37 0.00 0.00 175.52 176.63 1ckk n ASN 111 N -3.35 0.32 -0.10 4.18 4.13 -1.18 -3.89 115.26 115.38 1ckk n ASN 111 Ca 0.00 -0.08 -0.17 0.00 1.68 0.00 0.00 54.58 56.01 1ckk n ASN 111 Cb 0.42 -0.11 -0.13 0.00 -1.54 0.00 0.00 39.78 38.43 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 -1.34 2.44 0.00 3.41 4.77 -0.89 -4.00 117.00 121.39 1ckk n LEU 112 Ca 0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1ckk n LEU 112 Cb 0.32 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1ckk n LEU 112 CO 0.29 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1ckk n GLY 113 N 2.12 0.86 3.70 -0.72 0.00 -0.98 -4.91 105.19 105.26 1ckk n GLY 113 Ca -0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 2.24 -0.43 1.61 2.12 -1.07 -4.98 118.70 118.20 1ckk s GLU 114 Ca 0.00 -1.68 0.07 0.00 0.36 0.00 0.00 54.97 53.72 1ckk s GLU 114 Cb 0.00 -2.05 0.23 0.00 0.26 0.00 0.00 34.13 32.57 1ckk s GLU 114 CO 0.00 0.07 0.60 0.36 -0.54 0.00 0.00 175.26 175.75 1ckk n LYS 115 N -1.10 0.63 -1.05 4.30 2.85 -1.26 -2.63 118.16 119.90 1ckk n LYS 115 Ca -0.03 -2.78 -0.34 0.00 -1.05 0.00 0.00 58.31 54.12 1ckk n LYS 115 Cb 0.62 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 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 1.79 -2.63 0.00 -5.58 4.32 -1.26 -4.91 117.00 108.73 1ckk n LEU 116 Ca 0.19 0.62 0.00 0.00 -0.02 0.00 0.00 56.01 56.80 1ckk n LEU 116 Cb 0.55 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1ckk n LEU 116 CO 0.12 -3.65 0.00 0.41 -1.22 0.00 0.00 177.39 173.04 1ckk n THR 117 N -1.00 0.00 -0.02 -5.08 -1.04 -1.26 -4.75 114.28 101.14 1ckk n THR 117 Ca 0.08 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 1ckk n THR 117 Cb 0.35 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.86 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 0.36 -0.31 8.00 9.92 -1.26 -3.53 116.55 129.73 1ckk n ASP 118 Ca 0.00 0.18 0.12 0.00 -0.53 0.00 0.00 54.79 54.56 1ckk n ASP 118 Cb 0.00 -0.56 0.25 0.00 -0.64 0.00 0.00 41.12 40.18 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ckk h GLU 119 N -0.19 0.09 0.20 -1.24 4.57 -1.98 0.46 114.58 116.49 1ckk h GLU 119 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1ckk h GLU 119 Cb 0.15 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1ckk h GLU 119 CO 0.00 0.06 -0.11 1.49 -1.18 0.00 0.00 179.01 179.27 1ckk h GLU 120 N 0.09 -0.28 -0.83 1.92 4.81 -1.94 0.72 114.58 119.07 1ckk h GLU 120 Ca 0.53 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1ckk h GLU 120 Cb 1.06 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.46 1ckk h GLU 120 CO -0.78 -0.18 0.54 0.28 -0.73 0.00 0.00 179.01 178.14 1ckk h VAL 121 N -0.29 1.22 0.45 0.32 2.07 -0.65 -1.88 116.25 117.49 1ckk h VAL 121 Ca -0.02 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1ckk h VAL 121 Cb 0.23 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1ckk h VAL 121 CO 0.04 0.21 -0.22 0.44 0.02 0.00 0.00 177.57 178.06 1ckk h ASP 122 N 1.12 -0.51 -0.91 0.57 5.19 0.19 -2.63 116.42 119.44 1ckk h ASP 122 Ca 0.30 0.02 0.26 0.00 -0.62 0.00 0.00 57.03 56.99 1ckk h ASP 122 Cb -0.11 0.13 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 1ckk h ASP 122 CO -0.06 -0.27 0.89 -0.33 -3.12 0.00 0.00 179.24 176.36 1ckk h GLU 123 N -0.80 0.00 0.35 3.56 4.39 -0.82 0.14 114.58 121.40 1ckk h GLU 123 Ca -0.06 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1ckk h GLU 123 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ckk h GLU 123 CO 0.10 0.00 -0.17 1.98 -1.16 0.00 0.00 179.01 179.76 1ckk h MET 124 N 0.00 -0.46 0.00 2.33 4.05 -0.99 -0.31 114.93 119.55 1ckk h MET 124 Ca 0.43 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.88 1ckk h MET 124 Cb 2.22 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 33.12 1ckk h MET 124 CO -0.00 -0.15 -0.04 0.82 0.23 0.00 0.00 176.91 177.77 1ckk h ILE 125 N -0.80 0.28 0.22 1.77 1.08 -0.43 -2.41 117.51 117.22 1ckk h ILE 125 Ca -0.05 -0.23 -0.33 0.00 -0.39 0.00 0.00 64.86 63.86 1ckk h ILE 125 Cb 0.52 1.17 0.03 0.00 -3.07 0.00 0.00 36.82 35.47 1ckk h ILE 125 CO 0.08 0.04 -1.51 -0.09 -0.69 0.00 0.00 178.15 175.97 1ckk h ARG 126 N 0.00 0.46 0.00 2.37 1.12 -1.16 -1.54 114.38 115.63 1ckk h ARG 126 Ca -0.00 -0.78 0.00 0.00 -1.11 0.00 0.00 59.98 58.09 1ckk h ARG 126 Cb 0.17 0.29 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1ckk h ARG 126 CO 0.00 1.37 0.00 -1.91 -3.11 0.00 0.00 179.97 176.32 1ckk n GLU 127 N -3.65 0.14 -0.04 0.20 2.13 -0.15 -2.97 120.64 116.31 1ckk n GLU 127 Ca -0.17 0.19 -0.04 0.00 0.66 0.00 0.00 57.16 57.79 1ckk n GLU 127 Cb 1.09 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 31.24 1ckk n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ckk n ALA 128 N -1.35 1.82 -1.47 4.31 0.00 -1.12 -4.88 120.51 117.81 1ckk n ALA 128 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 53.44 52.91 1ckk n ALA 128 Cb 0.13 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.37 0.67 0.25 0.00 -0.08 -0.58 -4.66 116.55 109.77 1ckk n ASP 129 Ca -0.13 -1.87 0.08 0.00 -1.51 0.00 0.00 54.79 51.37 1ckk n ASP 129 Cb 0.72 -1.43 0.64 0.00 2.34 0.00 0.00 41.12 43.39 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 7.05 0.95 0.00 5.18 5.03 -1.89 -1.31 117.51 132.51 1ckk h ILE 130 Ca 0.00 -0.26 -0.13 0.00 -0.12 0.00 0.00 64.86 64.35 1ckk h ILE 130 Cb 1.01 1.15 -0.02 0.00 -3.03 0.00 0.00 36.82 35.93 1ckk h ILE 130 CO 1.06 0.07 -0.99 0.44 -0.68 0.00 0.00 178.15 178.05 1ckk h ASP 131 N 0.00 0.00 -4.31 1.72 3.32 -1.92 -3.48 116.42 111.75 1ckk h ASP 131 Ca -0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 1ckk h ASP 131 Cb 0.14 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.80 1ckk h ASP 131 CO 0.01 0.52 -0.47 0.61 -1.72 0.00 0.00 179.24 178.19 1ckk n GLY 132 N 1.31 -0.20 0.00 2.75 0.00 -0.50 -4.97 105.19 103.58 1ckk n GLY 132 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.41 4.78 0.00 1.61 5.75 -1.26 -5.02 116.55 119.99 1ckk n ASP 133 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1ckk n ASP 133 Cb 0.57 0.57 0.00 0.00 -1.03 0.00 0.00 41.12 41.23 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 2.80 0.67 3.69 6.12 0.00 -1.26 -5.12 105.19 112.08 1ckk n GLY 134 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1ckk n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ckk s GLN 135 N 0.00 1.21 0.39 1.61 0.00 -1.26 -4.69 119.66 116.92 1ckk s GLN 135 Ca 0.00 -0.61 0.08 0.00 -0.00 0.00 0.00 55.36 54.82 1ckk s GLN 135 Cb 0.00 0.45 -0.04 0.00 0.00 0.00 0.00 33.01 33.42 1ckk s GLN 135 CO 0.00 -0.55 0.25 0.08 0.00 0.00 0.00 175.29 175.08 1ckk s VAL 136 N -3.39 2.71 0.25 3.63 1.01 -0.89 -4.84 120.40 118.89 1ckk s VAL 136 Ca 0.09 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1ckk s VAL 136 Cb -0.02 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1ckk s VAL 136 CO -0.01 -0.06 0.24 0.21 0.00 0.00 0.00 175.10 175.48 1ckk s ASN 137 N -3.98 0.62 0.11 3.32 3.04 -1.26 -1.31 114.94 115.48 1ckk s ASN 137 Ca 0.43 -1.46 -0.30 0.00 0.04 0.00 0.00 52.86 51.57 1ckk s ASN 137 Cb -0.01 0.48 -0.10 0.00 -1.54 0.00 0.00 41.25 40.08 1ckk s ASN 137 CO 0.25 -0.97 1.60 0.22 -3.04 0.00 0.00 177.10 175.15 1ckk h TYR 138 N 2.40 -1.08 -0.84 0.43 3.20 -1.98 0.33 116.97 119.44 1ckk h TYR 138 Ca -0.31 0.03 0.20 0.00 3.14 0.00 0.00 58.73 61.78 1ckk h TYR 138 Cb 1.24 0.45 -0.15 0.00 1.54 0.00 0.00 36.73 39.82 1ckk h TYR 138 CO 0.84 -0.49 -0.04 1.49 -1.64 0.00 0.00 178.16 178.32 1ckk h GLU 139 N -0.63 0.06 0.38 1.82 4.81 -1.97 0.27 114.58 119.32 1ckk h GLU 139 Ca 0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1ckk h GLU 139 Cb 0.65 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1ckk h GLU 139 CO -0.22 0.04 -0.18 0.93 -0.73 0.00 0.00 179.01 178.85 1ckk h GLU 140 N 0.06 -0.49 0.00 1.92 5.08 -1.72 0.25 114.58 119.69 1ckk h GLU 140 Ca 0.46 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1ckk h GLU 140 Cb 0.83 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ckk h GLU 140 CO -0.78 -0.19 0.40 0.35 -1.00 0.00 0.00 179.01 177.79 1ckk h PHE 141 N -0.98 0.00 0.02 4.33 3.57 0.49 -1.45 116.94 122.91 1ckk h PHE 141 Ca -0.05 0.00 -0.40 0.00 3.53 0.00 0.00 57.97 61.05 1ckk h PHE 141 Cb 0.53 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1ckk h PHE 141 CO 0.03 0.00 -2.34 0.28 -2.23 0.00 0.00 178.31 174.04 1ckk n VAL 142 N -2.81 1.55 0.27 1.41 0.31 0.87 -3.90 118.33 116.03 1ckk n VAL 142 Ca -0.02 -0.50 0.04 0.00 -0.01 0.00 0.00 64.34 63.85 1ckk n VAL 142 Cb 0.44 -1.63 0.17 0.00 -0.91 0.00 0.00 33.84 31.90 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 -3.64 0.00 -0.03 5.55 7.27 0.88 -1.41 117.38 126.00 1ckk n GLN 143 Ca -0.45 0.36 -0.18 0.00 0.07 0.00 0.00 57.00 56.80 1ckk n GLN 143 Cb 0.95 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.96 1ckk n GLN 143 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1ckk n MET 144 N -1.49 0.72 -0.07 3.69 1.56 -0.67 -4.46 117.12 116.39 1ckk n MET 144 Ca 0.02 0.23 -0.07 0.00 -0.27 0.00 0.00 57.70 57.61 1ckk n MET 144 Cb 0.09 -1.67 -0.02 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 -3.33 0.41 -0.84 2.12 2.81 -1.00 -4.57 117.12 112.71 1ckk n MET 145 Ca -0.33 0.16 -0.11 0.00 -1.81 0.00 0.00 57.70 55.62 1ckk n MET 145 Cb 1.04 -1.21 -0.14 0.00 -0.71 0.00 0.00 33.22 32.21 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 -4.02 2.52 -0.98 2.03 5.66 -0.50 -4.67 114.28 114.33 1ckk n THR 146 Ca -0.11 -1.27 -0.14 0.00 -3.05 0.00 0.00 64.05 59.48 1ckk n THR 146 Cb 0.40 -1.93 -0.15 0.00 -1.55 0.00 0.00 70.33 67.10 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 2.63 6.21 -0.72 1.79 0.00 -1.25 -4.80 120.51 124.37 1ckk n ALA 147 Ca 0.37 -1.91 0.00 0.00 0.00 0.00 0.00 53.44 51.90 1ckk n ALA 147 Cb 0.74 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67