#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 2.56 -4.55 0.00 5.68 -1.26 -5.06 116.55 113.93 1ckk n ASP 2 Ca 0.00 -3.28 -0.40 0.00 -0.50 0.00 0.00 54.79 50.62 1ckk n ASP 2 Cb 0.00 -0.57 -0.11 0.00 -1.14 0.00 0.00 41.12 39.30 1ckk n ASP 2 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1ckk s GLN 3 N -2.99 3.63 -0.17 0.11 2.00 -1.26 -5.06 119.66 115.92 1ckk s GLN 3 Ca 0.42 -0.55 -0.15 0.00 -2.00 0.00 0.00 55.36 53.08 1ckk s GLN 3 Cb 0.34 -3.76 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1ckk s GLN 3 CO -0.10 -0.36 0.35 -0.51 -0.50 0.00 0.00 175.29 174.17 1ckk s LEU 4 N 1.73 4.21 -0.55 3.68 1.43 -1.26 -5.01 118.68 122.91 1ckk s LEU 4 Ca 0.06 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.77 1ckk s LEU 4 Cb -0.17 -2.46 0.26 0.00 0.03 0.00 0.00 46.19 43.85 1ckk s LEU 4 CO 0.11 0.02 0.68 1.07 0.23 0.00 0.00 176.35 178.46 1ckk n THR 5 N 3.91 1.36 -0.12 5.49 5.66 -1.26 -4.85 114.28 124.47 1ckk n THR 5 Ca -0.10 -4.84 -0.15 0.00 -3.05 0.00 0.00 64.05 55.92 1ckk n THR 5 Cb 0.52 -1.98 -0.14 0.00 -1.55 0.00 0.00 70.33 67.18 1ckk n THR 5 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ckk n GLU 6 N 0.96 0.67 0.07 1.09 1.02 -1.26 -4.35 120.64 118.83 1ckk n GLU 6 Ca 0.27 0.08 -0.08 0.00 -0.02 0.00 0.00 57.16 57.41 1ckk n GLU 6 Cb 0.45 -1.52 -0.05 0.00 -0.02 0.00 0.00 31.44 30.30 1ckk n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ckk h GLU 7 N 0.00 -0.37 -0.87 3.49 4.57 -1.97 1.01 114.58 120.43 1ckk h GLU 7 Ca -0.57 0.03 0.21 0.00 -1.18 0.00 0.00 59.36 57.85 1ckk h GLU 7 Cb 2.05 0.09 -0.16 0.00 -0.16 0.00 0.00 28.75 30.57 1ckk h GLU 7 CO -0.04 -0.25 -0.00 -0.56 -1.18 0.00 0.00 179.01 176.98 1ckk h GLN 8 N -0.39 0.06 0.03 1.92 3.07 -1.97 0.94 115.11 118.77 1ckk h GLN 8 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1ckk h GLN 8 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1ckk h GLN 8 CO -0.13 0.04 -0.01 0.82 0.09 0.00 0.00 178.83 179.64 1ckk h ILE 9 N 0.06 1.23 -0.63 1.86 2.04 -1.57 -2.65 117.51 117.84 1ckk h ILE 9 Ca 0.49 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.67 1ckk h ILE 9 Cb 0.93 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1ckk h ILE 9 CO -0.80 0.20 0.43 0.00 0.00 0.00 0.00 178.15 177.99 1ckk h ALA 10 N 0.57 2.09 0.23 1.87 0.00 0.37 -1.51 119.26 122.88 1ckk h ALA 10 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ckk h ALA 10 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ckk h ALA 10 CO 0.01 -0.24 -0.16 1.49 0.00 0.00 0.00 179.25 180.35 1ckk h GLU 11 N 0.37 -0.37 -0.76 0.00 4.81 0.11 -0.18 114.58 118.56 1ckk h GLU 11 Ca 0.30 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.67 1ckk h GLU 11 Cb 0.67 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 1ckk h GLU 11 CO -0.08 -0.24 0.37 0.74 -0.73 0.00 0.00 179.01 179.06 1ckk h PHE 12 N -0.38 0.64 -0.84 0.92 -1.00 -1.04 0.63 116.94 115.87 1ckk h PHE 12 Ca -0.02 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1ckk h PHE 12 Cb 0.33 -0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 1ckk h PHE 12 CO -0.10 0.18 0.55 -0.22 -1.61 0.00 0.00 178.31 177.11 1ckk h LYS 13 N 0.57 1.08 -0.05 1.51 3.64 -0.99 -0.63 116.57 121.70 1ckk h LYS 13 Ca 0.40 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1ckk h LYS 13 Cb 0.51 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ckk h LYS 13 CO -0.33 0.71 0.03 1.49 -2.27 0.00 0.00 179.45 179.09 1ckk h GLU 14 N 1.11 0.06 -0.50 1.90 4.57 0.90 -0.68 114.58 121.95 1ckk h GLU 14 Ca 0.32 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.54 1ckk h GLU 14 Cb -0.08 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.45 1ckk h GLU 14 CO -0.08 0.05 0.25 0.00 -1.18 0.00 0.00 179.01 178.04 1ckk h ALA 15 N 1.01 0.63 0.00 2.92 0.00 -0.78 0.33 119.26 123.38 1ckk h ALA 15 Ca 0.02 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ckk h ALA 15 Cb -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ckk h ALA 15 CO -0.00 -0.09 -0.01 0.35 0.00 0.00 0.00 179.25 179.49 1ckk h PHE 16 N 0.49 0.00 0.02 0.00 3.57 -0.68 -1.42 116.94 118.93 1ckk h PHE 16 Ca 0.22 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.42 1ckk h PHE 16 Cb 0.12 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1ckk h PHE 16 CO -0.10 0.01 -1.71 1.03 -2.23 0.00 0.00 178.31 175.31 1ckk h SER 17 N 0.00 0.06 -0.49 0.41 0.87 0.89 -3.06 113.55 112.23 1ckk h SER 17 Ca -0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1ckk h SER 17 Cb 0.07 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1ckk h SER 17 CO 0.00 1.12 0.28 0.25 -0.53 0.00 0.00 176.83 177.95 1ckk h LEU 18 N 0.01 0.60 -0.03 2.23 6.46 0.60 -3.12 115.31 122.06 1ckk h LEU 18 Ca -0.29 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.33 1ckk h LEU 18 Cb 2.01 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 41.79 1ckk h LEU 18 CO 0.08 0.51 -0.23 -0.26 -0.62 0.00 0.00 178.44 177.92 1ckk h PHE 19 N 0.65 0.28 -0.11 1.25 0.04 -1.65 -3.37 116.94 114.04 1ckk h PHE 19 Ca 0.17 -0.13 -0.52 0.00 2.80 0.00 0.00 57.97 60.29 1ckk h PHE 19 Cb 0.03 -0.04 0.05 0.00 2.20 0.00 0.00 35.95 38.19 1ckk h PHE 19 CO -0.02 0.88 1.64 -3.47 -0.60 0.00 0.00 178.31 176.74 1ckk n ASP 20 N -4.53 2.21 0.00 2.17 -0.08 -1.15 -4.63 116.55 110.54 1ckk n ASP 20 Ca -0.09 -2.63 0.03 0.00 -1.51 0.00 0.00 54.79 50.60 1ckk n ASP 20 Cb 0.47 -1.16 0.16 0.00 2.34 0.00 0.00 41.12 42.92 1ckk n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1ckk n LYS 21 N 7.59 0.02 -0.05 -0.67 4.76 -1.26 -1.91 118.16 126.65 1ckk n LYS 21 Ca 0.47 0.34 -0.08 0.00 -2.87 0.00 0.00 58.31 56.17 1ckk n LYS 21 Cb 0.43 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 1ckk n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ckk n ASP 22 N -1.45 0.55 -0.56 4.39 8.00 -1.26 -4.99 116.55 121.23 1ckk n ASP 22 Ca 0.02 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.75 1ckk n ASP 22 Cb 0.08 0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ckk n GLY 23 N 1.61 0.42 0.00 0.44 0.00 -0.80 -4.94 105.19 101.93 1ckk n GLY 23 Ca -0.22 -0.68 0.08 0.00 0.00 0.00 0.00 46.02 45.20 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 1.21 1.01 -0.02 1.61 5.68 -1.26 -4.99 116.55 119.80 1ckk n ASP 24 Ca -0.02 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.88 1ckk n ASP 24 Cb 0.52 1.42 0.00 0.00 -1.14 0.00 0.00 41.12 41.92 1ckk n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 25 N 1.48 1.43 3.38 6.12 0.00 -1.26 -5.08 105.19 111.27 1ckk n GLY 25 Ca -0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.03 -0.82 -0.19 2.61 -4.23 -1.23 -4.25 115.64 105.50 1ckk s THR 26 Ca 0.00 0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.40 1ckk s THR 26 Cb 0.00 -0.85 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 1ckk s THR 26 CO 0.00 0.02 0.46 -0.63 -0.54 0.00 0.00 174.62 173.93 1ckk s ILE 27 N 2.75 5.16 0.34 2.99 1.01 -0.10 -4.76 121.20 128.59 1ckk s ILE 27 Ca -0.00 0.84 0.06 0.00 0.00 0.00 0.00 60.65 61.55 1ckk s ILE 27 Cb -0.13 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.61 1ckk s ILE 27 CO -0.16 0.24 0.46 0.35 0.00 0.00 0.00 174.94 175.82 1ckk n THR 28 N 4.29 0.00 0.21 2.92 -2.24 -1.26 -2.53 114.28 115.67 1ckk n THR 28 Ca -0.07 -1.14 0.10 0.00 -2.27 0.00 0.00 64.05 60.67 1ckk n THR 28 Cb 0.51 -0.69 0.29 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.08 0.40 -0.07 4.28 1.35 -1.95 -3.11 112.91 113.90 1ckk h THR 29 Ca -0.16 -1.30 -0.08 0.00 -0.55 0.00 0.00 66.41 64.31 1ckk h THR 29 Cb 0.73 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1ckk h THR 29 CO 0.23 0.20 -0.28 0.11 -0.25 0.00 0.00 175.52 175.53 1ckk h LYS 30 N 0.00 0.31 0.66 4.72 6.56 -1.97 -1.80 116.57 125.05 1ckk h LYS 30 Ca -0.00 -0.24 -0.03 0.00 -1.06 0.00 0.00 60.65 59.31 1ckk h LYS 30 Cb 0.96 0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.68 1ckk h LYS 30 CO 0.03 0.88 -0.32 0.93 -2.06 0.00 0.00 179.45 178.91 1ckk h GLU 31 N -0.19 -0.86 -0.52 3.15 5.08 -1.90 -1.57 114.58 117.78 1ckk h GLU 31 Ca -0.02 0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.55 1ckk h GLU 31 Cb 0.92 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1ckk h GLU 31 CO 0.06 -0.57 0.37 1.25 -1.00 0.00 0.00 179.01 179.12 1ckk h LEU 32 N -0.98 0.01 -0.98 1.33 5.85 -1.68 0.18 115.31 119.05 1ckk h LEU 32 Ca -0.09 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1ckk h LEU 32 Cb 0.68 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ckk h LEU 32 CO 0.15 0.01 -0.39 1.23 -0.34 0.00 0.00 178.44 179.09 1ckk h GLY 33 N 0.02 0.25 0.41 3.75 0.00 -1.03 -2.26 103.07 104.21 1ckk h GLY 33 Ca 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1ckk h GLY 33 CO -0.01 0.21 -0.20 -0.84 0.00 0.00 0.00 176.54 175.71 1ckk h THR 34 N 0.20 0.03 -0.66 4.70 2.02 0.38 -2.19 112.91 117.38 1ckk h THR 34 Ca 0.02 -0.61 0.13 0.00 0.77 0.00 0.00 66.41 66.72 1ckk h THR 34 Cb 0.79 0.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.15 1ckk h THR 34 CO 0.06 0.01 0.15 0.58 0.37 0.00 0.00 175.52 176.69 1ckk h VAL 35 N -1.14 0.59 -0.29 3.16 2.07 -1.53 -0.94 116.25 118.17 1ckk h VAL 35 Ca -0.06 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1ckk h VAL 35 Cb 0.43 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1ckk h VAL 35 CO 0.09 0.05 0.15 0.24 0.02 0.00 0.00 177.57 178.12 1ckk h MET 36 N 0.27 0.30 -0.13 1.57 2.86 -1.47 -0.79 114.93 117.53 1ckk h MET 36 Ca 0.36 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 58.02 1ckk h MET 36 Cb 0.56 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1ckk h MET 36 CO -0.45 0.20 0.17 -0.09 1.06 0.00 0.00 176.91 177.80 1ckk h ARG 37 N 0.31 0.00 0.06 1.72 1.12 -0.52 -0.88 114.38 116.19 1ckk h ARG 37 Ca 0.12 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.75 1ckk h ARG 37 Cb 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1ckk h ARG 37 CO -0.08 0.00 -1.06 1.03 -3.11 0.00 0.00 179.97 176.75 1ckk h SER 38 N 0.00 0.38 -0.81 -3.80 0.87 -0.43 -3.29 113.55 106.48 1ckk h SER 38 Ca 0.06 -0.35 0.11 0.00 -1.23 0.00 0.00 61.79 60.38 1ckk h SER 38 Cb 0.39 -0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.15 1ckk h SER 38 CO -0.00 1.21 0.43 -0.07 -0.53 0.00 0.00 176.83 177.87 1ckk h LEU 39 N 0.12 0.57 0.00 2.23 3.38 -0.76 -3.45 115.31 117.40 1ckk h LEU 39 Ca -0.09 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ckk h LEU 39 Cb 1.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1ckk h LEU 39 CO 0.17 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.61 1ckk n GLY 40 N -1.32 0.03 0.00 0.83 0.00 -1.23 -4.86 105.19 98.65 1ckk n GLY 40 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1ckk n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ckk n GLN 41 N 0.00 0.00 -3.08 1.61 3.00 -1.26 -5.09 117.38 112.56 1ckk n GLN 41 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1ckk n GLN 41 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1ckk n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ckk n ASN 42 N -0.43 -0.74 -4.65 1.08 3.02 -1.26 -4.74 115.26 107.54 1ckk n ASN 42 Ca 0.00 -2.83 -0.43 0.00 -0.03 0.00 0.00 54.58 51.29 1ckk n ASN 42 Cb 0.00 0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.20 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ckk s PRO 43 N -0.57 4.11 0.44 3.52 0.04 -1.26 -5.00 135.00 136.27 1ckk s PRO 43 Ca 0.34 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 1ckk s PRO 43 Cb 0.17 -3.91 -0.09 0.00 0.04 0.00 0.00 34.50 30.71 1ckk s PRO 43 CO -0.15 -0.90 0.90 0.99 0.04 0.00 0.00 177.00 177.87 1ckk s THR 44 N 4.11 4.56 0.17 1.26 2.01 -1.26 -4.86 115.64 121.62 1ckk s THR 44 Ca 0.66 1.14 -0.22 0.00 0.31 0.00 0.00 61.69 63.58 1ckk s THR 44 Cb -0.27 -3.67 0.07 0.00 0.01 0.00 0.00 72.50 68.64 1ckk s THR 44 CO 0.24 -0.48 1.61 -0.08 -0.69 0.00 0.00 174.62 175.21 1ckk h GLU 45 N 1.45 -0.21 -0.86 4.92 4.81 -1.96 0.12 114.58 122.85 1ckk h GLU 45 Ca -0.48 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 58.90 1ckk h GLU 45 Cb 1.18 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 1ckk h GLU 45 CO 0.62 -0.14 0.47 0.00 -0.73 0.00 0.00 179.01 179.23 1ckk h ALA 46 N 0.87 1.28 0.18 2.92 0.00 -2.01 -1.77 119.26 120.73 1ckk h ALA 46 Ca 0.18 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ckk h ALA 46 Cb 0.52 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ckk h ALA 46 CO -0.53 0.00 -0.11 0.93 0.00 0.00 0.00 179.25 179.55 1ckk h GLU 47 N 0.72 -0.27 -0.63 0.00 4.39 -1.19 -2.68 114.58 114.91 1ckk h GLU 47 Ca 0.45 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.25 1ckk h GLU 47 Cb 0.55 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.15 1ckk h GLU 47 CO -0.31 -0.18 -0.46 -0.07 -1.16 0.00 0.00 179.01 176.82 1ckk h LEU 48 N -0.28 -1.61 -0.79 1.33 3.38 -0.28 0.46 115.31 117.51 1ckk h LEU 48 Ca -0.02 0.26 0.19 0.00 0.09 0.00 0.00 57.88 58.40 1ckk h LEU 48 Cb 0.23 0.73 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1ckk h LEU 48 CO 0.02 -0.33 0.18 -0.61 0.09 0.00 0.00 178.44 177.79 1ckk h GLN 49 N -0.21 0.23 -0.96 1.13 5.75 -1.30 0.67 115.11 120.42 1ckk h GLN 49 Ca 0.17 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.71 1ckk h GLN 49 Cb 0.55 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.99 1ckk h GLN 49 CO -0.72 0.15 0.63 0.22 -2.65 0.00 0.00 178.83 176.46 1ckk h ASP 50 N 0.24 1.02 0.03 -0.69 1.82 0.18 -1.94 116.42 117.07 1ckk h ASP 50 Ca 0.46 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1ckk h ASP 50 Cb 0.84 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.63 1ckk h ASP 50 CO -0.58 0.67 -0.01 -0.03 -1.61 0.00 0.00 179.24 177.69 1ckk h MET 51 N 1.16 -0.03 -0.51 0.28 4.05 0.14 -3.06 114.93 116.96 1ckk h MET 51 Ca 0.40 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.97 1ckk h MET 51 Cb 0.09 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1ckk h MET 51 CO -0.14 0.65 0.71 0.82 0.23 0.00 0.00 176.91 179.18 1ckk h ILE 52 N -0.78 0.17 0.00 1.77 1.08 0.28 1.94 117.51 121.96 1ckk h ILE 52 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1ckk h ILE 52 Cb 0.70 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1ckk h ILE 52 CO 0.01 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 174.27 1ckk n ASN 53 N -3.34 0.79 0.00 1.72 2.85 -0.75 -2.39 115.26 114.14 1ckk n ASN 53 Ca 0.10 0.59 0.14 0.00 -0.11 0.00 0.00 54.58 55.31 1ckk n ASN 53 Cb 0.90 -0.80 0.66 0.00 1.24 0.00 0.00 39.78 41.78 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ckk n GLU 54 N -2.26 0.16 0.01 1.20 -0.58 0.66 -4.27 120.64 115.55 1ckk n GLU 54 Ca 0.05 0.01 -0.02 0.00 -0.42 0.00 0.00 57.16 56.78 1ckk n GLU 54 Cb 0.40 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1ckk n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ckk n VAL 55 N -1.42 0.57 0.00 2.62 0.31 -1.16 -4.95 118.33 114.30 1ckk n VAL 55 Ca 0.09 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1ckk n VAL 55 Cb 0.30 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1ckk n VAL 55 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1ckk n ASP 56 N -3.29 0.00 0.12 4.52 8.00 -1.01 -4.73 116.55 120.17 1ckk n ASP 56 Ca -0.03 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.41 1ckk n ASP 56 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ckk h ALA 57 N 0.00 -0.42 0.00 2.24 0.00 -1.93 -3.27 119.26 115.88 1ckk h ALA 57 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ckk h ALA 57 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ckk h ALA 57 CO 0.00 -0.39 -0.07 0.38 0.00 0.00 0.00 179.25 179.17 1ckk h ASP 58 N -1.02 0.00 -3.33 0.00 3.04 -1.96 -3.46 116.42 109.68 1ckk h ASP 58 Ca -0.04 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.61 1ckk h ASP 58 Cb 0.30 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.65 1ckk h ASP 58 CO 0.07 0.07 -0.30 0.61 -2.04 0.00 0.00 179.24 177.65 1ckk n GLY 59 N -0.20 0.17 0.13 7.15 0.00 -1.23 -4.98 105.19 106.23 1ckk n GLY 59 Ca -0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.53 1.98 0.00 1.61 6.94 -1.26 -5.01 115.26 117.98 1ckk n ASN 60 Ca -0.09 0.16 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1ckk n ASN 60 Cb 0.56 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 1.75 -0.62 3.44 4.83 0.00 -1.26 -5.14 105.19 108.18 1ckk n GLY 61 Ca -0.45 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.07 0.04 -0.25 2.61 -4.23 -1.26 -4.92 115.64 107.55 1ckk s THR 62 Ca 0.00 -1.26 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 1ckk s THR 62 Cb 0.00 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 1ckk s THR 62 CO 0.00 -0.18 0.14 -0.63 -0.54 0.00 0.00 174.62 173.42 1ckk s ILE 63 N -3.96 5.06 0.54 2.99 -1.09 -1.05 -4.82 121.20 118.87 1ckk s ILE 63 Ca 0.17 0.08 0.05 0.00 -2.23 0.00 0.00 60.65 58.72 1ckk s ILE 63 Cb 0.01 -3.38 0.05 0.00 -1.58 0.00 0.00 42.46 37.57 1ckk s ILE 63 CO 0.02 0.32 0.40 -0.90 -1.23 0.00 0.00 174.94 173.54 1ckk n ASP 64 N 4.67 2.76 -0.27 3.58 5.68 -1.26 -0.92 116.55 130.79 1ckk n ASP 64 Ca -0.15 -2.89 -0.05 0.00 -0.50 0.00 0.00 54.79 51.20 1ckk n ASP 64 Cb 0.52 -0.03 0.09 0.00 -1.14 0.00 0.00 41.12 40.55 1ckk n ASP 64 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1ckk h PHE 65 N 0.68 1.17 0.00 2.11 3.57 -1.98 -1.89 116.94 120.60 1ckk h PHE 65 Ca -0.35 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1ckk h PHE 65 Cb 1.26 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1ckk h PHE 65 CO 0.00 0.89 -0.47 -1.00 -2.23 0.00 0.00 178.31 175.51 1ckk h PRO 66 N 1.11 0.00 -0.00 6.41 0.13 -1.97 -2.55 132.00 135.14 1ckk h PRO 66 Ca 0.25 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.22 1ckk h PRO 66 Cb 0.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1ckk h PRO 66 CO -0.02 0.47 -0.77 0.93 -0.23 0.00 0.00 178.00 178.37 1ckk h GLU 67 N 0.00 0.05 -0.42 0.86 5.08 -1.86 -2.63 114.58 115.66 1ckk h GLU 67 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1ckk h GLU 67 Cb 0.83 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1ckk h GLU 67 CO 0.06 0.80 -0.06 0.35 -1.00 0.00 0.00 179.01 179.16 1ckk h PHE 68 N 0.03 0.87 -0.08 4.33 3.57 -0.95 0.99 116.94 125.69 1ckk h PHE 68 Ca -0.01 -0.17 -0.12 0.00 3.53 0.00 0.00 57.97 61.19 1ckk h PHE 68 Cb 1.36 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1ckk h PHE 68 CO 0.01 0.88 -0.49 -0.07 -2.23 0.00 0.00 178.31 176.41 1ckk h LEU 69 N 0.60 0.21 0.11 0.59 3.38 -1.47 -2.56 115.31 116.17 1ckk h LEU 69 Ca 0.11 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1ckk h LEU 69 Cb 0.57 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ckk h LEU 69 CO 0.03 0.67 -1.59 0.71 0.09 0.00 0.00 178.44 178.35 1ckk h THR 70 N 0.16 0.89 -0.31 0.22 1.35 -1.28 -3.36 112.91 110.58 1ckk h THR 70 Ca 0.01 -2.36 0.01 0.00 -0.55 0.00 0.00 66.41 63.52 1ckk h THR 70 Cb 0.92 2.59 -0.02 0.00 -1.73 0.00 0.00 68.15 69.91 1ckk h THR 70 CO 0.07 0.72 0.21 0.00 -0.25 0.00 0.00 175.52 176.27 1ckk h MET 71 N -0.26 0.38 0.00 4.72 -0.00 0.96 0.41 114.93 121.14 1ckk h MET 71 Ca -0.35 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 1ckk h MET 71 Cb 1.80 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 33.31 1ckk h MET 71 CO 0.04 0.25 0.00 -0.12 -0.00 0.00 0.00 176.91 177.08 1ckk n MET 72 N -4.49 0.08 -0.05 -0.10 0.00 -0.96 -2.08 117.12 109.52 1ckk n MET 72 Ca 0.02 0.34 -0.06 0.00 0.00 0.00 0.00 57.70 58.00 1ckk n MET 72 Cb 0.09 -1.66 -0.06 0.00 0.00 0.00 0.00 33.22 31.59 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 -1.61 1.78 -0.14 -5.12 0.00 0.32 -4.46 120.51 111.27 1ckk n ALA 73 Ca 0.03 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.85 1ckk n ALA 73 Cb 0.18 0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 0.89 0.00 0.00 3.08 -0.28 -2.65 114.38 115.42 1ckk h ARG 74 Ca -0.23 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.41 1ckk h ARG 74 Cb 1.44 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 1ckk h ARG 74 CO -0.01 1.04 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.65 1ckk h LYS 75 N 0.71 0.00 0.00 0.04 1.63 -1.65 -0.55 116.57 116.75 1ckk h LYS 75 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1ckk h LYS 75 Cb 0.78 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1ckk h LYS 75 CO 0.06 0.06 -0.36 -1.33 -3.45 0.00 0.00 179.45 174.43 1ckk n MET 76 N -3.90 0.13 -2.80 1.90 2.81 -1.02 -4.14 117.12 110.09 1ckk n MET 76 Ca -0.03 0.06 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 1ckk n MET 76 Cb 0.15 -1.60 -0.02 0.00 -0.71 0.00 0.00 33.22 31.04 1ckk n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ckk n LYS 77 N -1.79 3.69 0.12 0.03 5.02 -0.22 -4.68 118.16 120.33 1ckk n LYS 77 Ca 0.05 -4.75 0.00 0.00 -2.02 0.00 0.00 58.31 51.59 1ckk n LYS 77 Cb 0.38 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ckk n ASP 78 N -0.24 -1.10 0.00 4.39 2.03 -1.24 -4.96 116.55 115.42 1ckk n ASP 78 Ca 0.36 0.42 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1ckk n ASP 78 Cb 0.39 1.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.97 1ckk n ASP 78 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1ckk n THR 79 N -3.13 0.00 -2.77 5.18 -1.04 -1.26 -5.04 114.28 106.21 1ckk n THR 79 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1ckk n THR 79 Cb 0.00 -0.04 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 1ckk n THR 79 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ckk s ASP 80 N -1.88 6.24 -0.23 8.00 1.01 -1.26 -4.81 116.67 123.75 1ckk s ASP 80 Ca 0.00 -1.02 -0.13 0.00 0.71 0.00 0.00 52.55 52.11 1ckk s ASP 80 Cb 0.00 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.37 1ckk s ASP 80 CO 0.00 -1.50 -0.32 -1.20 0.21 0.00 0.00 175.17 172.37 1ckk n SER 81 N 8.04 1.77 -0.00 0.27 7.64 -1.26 -4.54 113.62 125.54 1ckk n SER 81 Ca 0.03 0.30 0.10 0.00 1.01 0.00 0.00 58.87 60.32 1ckk n SER 81 Cb 0.47 -0.72 -0.12 0.00 -1.01 0.00 0.00 64.21 62.82 1ckk n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ckk n GLU 82 N -4.16 0.12 0.00 1.43 2.13 -1.26 -4.16 120.64 114.73 1ckk n GLU 82 Ca -0.42 -0.02 0.05 0.00 0.66 0.00 0.00 57.16 57.43 1ckk n GLU 82 Cb 0.77 -1.50 0.21 0.00 0.27 0.00 0.00 31.44 31.20 1ckk n GLU 82 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1ckk n GLU 83 N -1.58 0.00 0.09 5.31 -0.58 -1.26 -2.09 120.64 120.54 1ckk n GLU 83 Ca 0.03 0.32 -0.05 0.00 -0.42 0.00 0.00 57.16 57.05 1ckk n GLU 83 Cb 0.35 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 1ckk n GLU 83 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ckk h GLU 84 N 0.00 0.02 -0.00 3.49 5.08 -1.84 -3.08 114.58 118.25 1ckk h GLU 84 Ca 0.00 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.14 1ckk h GLU 84 Cb 0.17 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ckk h GLU 84 CO 0.00 0.83 -0.86 0.82 -1.00 0.00 0.00 179.01 178.80 1ckk h ILE 85 N 0.01 1.48 -0.42 3.13 2.04 -1.71 -2.78 117.51 119.26 1ckk h ILE 85 Ca -0.01 -2.57 -0.09 0.00 1.00 0.00 0.00 64.86 63.19 1ckk h ILE 85 Cb 1.46 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.96 1ckk h ILE 85 CO 0.11 0.75 -0.10 -0.09 0.00 0.00 0.00 178.15 178.82 1ckk h ARG 86 N 0.12 0.74 -0.18 2.37 9.65 -1.61 -1.62 114.38 123.84 1ckk h ARG 86 Ca -0.04 -0.24 -0.07 0.00 -1.10 0.00 0.00 59.98 58.53 1ckk h ARG 86 Cb 1.49 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.99 1ckk h ARG 86 CO 0.13 0.82 -0.15 0.93 2.80 0.00 0.00 179.97 184.50 1ckk h GLU 87 N 0.68 0.43 -0.46 0.20 4.39 -1.50 -2.31 114.58 116.00 1ckk h GLU 87 Ca 0.12 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ckk h GLU 87 Cb 0.56 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1ckk h GLU 87 CO 0.03 0.77 0.27 0.00 -1.16 0.00 0.00 179.01 178.92 1ckk h ALA 88 N 0.65 1.61 -0.43 3.43 0.00 -1.33 -2.03 119.26 121.16 1ckk h ALA 88 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1ckk h ALA 88 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1ckk h ALA 88 CO 0.04 0.34 -0.22 0.35 0.00 0.00 0.00 179.25 179.76 1ckk h PHE 89 N 0.64 1.05 0.00 0.00 3.04 -1.16 -2.32 116.94 118.19 1ckk h PHE 89 Ca 0.17 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1ckk h PHE 89 Cb -0.01 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.26 1ckk h PHE 89 CO 0.00 1.06 -0.04 -0.09 -2.02 0.00 0.00 178.31 177.22 1ckk h ARG 90 N 0.74 0.00 0.19 1.11 2.43 -0.80 -2.03 114.38 116.01 1ckk h ARG 90 Ca 0.09 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1ckk h ARG 90 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1ckk h ARG 90 CO 0.07 0.04 -0.09 0.28 -1.51 0.00 0.00 179.97 178.76 1ckk h VAL 91 N 0.00 0.75 -0.63 0.20 2.07 -1.02 -3.17 116.25 114.45 1ckk h VAL 91 Ca -0.00 -1.07 0.18 0.00 0.82 0.00 0.00 66.70 66.64 1ckk h VAL 91 Cb 0.07 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1ckk h VAL 91 CO 0.01 0.19 0.46 -0.26 0.02 0.00 0.00 177.57 177.99 1ckk h PHE 92 N -0.89 0.00 -2.71 1.57 0.04 -1.19 -2.76 116.94 111.01 1ckk h PHE 92 Ca -0.03 0.00 -0.81 0.00 2.80 0.00 0.00 57.97 59.94 1ckk h PHE 92 Cb 0.51 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 38.38 1ckk h PHE 92 CO 0.07 0.00 0.83 -3.47 -0.60 0.00 0.00 178.31 175.14 1ckk n ASP 93 N -4.33 6.65 -0.25 2.17 -0.08 -0.78 -4.44 116.55 115.48 1ckk n ASP 93 Ca 0.12 -3.50 0.31 0.00 -1.51 0.00 0.00 54.79 50.21 1ckk n ASP 93 Cb 0.71 -1.23 0.52 0.00 2.34 0.00 0.00 41.12 43.46 1ckk n ASP 93 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ckk h LYS 94 N 5.05 0.00 0.00 -0.67 2.10 -1.61 0.15 116.57 121.58 1ckk h LYS 94 Ca 0.29 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.58 1ckk h LYS 94 Cb 0.53 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.80 1ckk h LYS 94 CO 1.28 0.00 -2.34 -0.40 -2.00 0.00 0.00 179.45 176.00 1ckk n ASP 95 N -3.39 2.12 -0.93 7.07 5.75 -1.26 -5.04 116.55 120.86 1ckk n ASP 95 Ca 0.25 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1ckk n ASP 95 Cb 1.51 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 1ckk n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 96 N 2.23 0.45 0.09 6.12 0.00 0.51 -4.99 105.19 109.60 1ckk n GLY 96 Ca -0.43 -0.45 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.91 0.68 0.00 1.61 6.94 -1.26 -4.95 115.26 117.37 1ckk n ASN 97 Ca 0.00 0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.84 1ckk n ASN 97 Cb 0.47 0.56 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 1ckk n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 98 N 1.34 1.50 3.55 4.83 0.00 -1.26 -5.14 105.19 110.01 1ckk n GLY 98 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.50 -0.27 -0.13 1.61 2.02 -1.26 -4.72 117.35 113.10 1ckk s TYR 99 Ca 0.00 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 1ckk s TYR 99 Cb 0.00 0.52 0.02 0.00 -0.40 0.00 0.00 41.96 42.10 1ckk s TYR 99 CO 0.00 -0.38 -0.11 0.42 -1.57 0.00 0.00 175.55 173.91 1ckk s ILE 100 N -2.52 1.30 -0.01 2.71 1.01 -0.07 -4.83 121.20 118.79 1ckk s ILE 100 Ca 0.06 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1ckk s ILE 100 Cb -0.01 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1ckk s ILE 100 CO -0.06 0.41 0.15 -0.55 0.00 0.00 0.00 174.94 174.90 1ckk s SER 101 N 1.58 6.15 0.52 3.58 0.15 -1.26 -1.94 113.70 122.48 1ckk s SER 101 Ca 0.05 0.28 0.41 0.00 0.70 0.00 0.00 55.95 57.39 1ckk s SER 101 Cb -0.13 -1.89 1.59 0.00 -1.71 0.00 0.00 66.02 63.89 1ckk s SER 101 CO -0.09 0.27 1.65 0.00 1.20 0.00 0.00 173.24 176.26 1ckk h ALA 102 N 3.90 3.33 -0.38 5.45 0.00 -1.92 1.88 119.26 131.53 1ckk h ALA 102 Ca -0.49 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 1ckk h ALA 102 Cb 1.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1ckk h ALA 102 CO 0.67 -1.86 -0.29 0.00 0.00 0.00 0.00 179.25 177.78 1ckk h ALA 103 N 1.29 0.78 -0.14 0.00 0.00 -1.98 -1.91 119.26 117.30 1ckk h ALA 103 Ca 0.81 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ckk h ALA 103 Cb 3.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.66 1ckk h ALA 103 CO -0.13 0.65 0.09 0.93 0.00 0.00 0.00 179.25 180.78 1ckk h GLU 104 N 0.69 0.18 -0.82 0.00 5.08 0.26 -2.03 114.58 117.94 1ckk h GLU 104 Ca 0.08 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ckk h GLU 104 Cb 0.82 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1ckk h GLU 104 CO 0.07 0.15 0.53 -0.07 -1.00 0.00 0.00 179.01 178.69 1ckk h LEU 105 N 0.17 0.89 -1.33 1.33 3.38 -1.36 0.57 115.31 118.95 1ckk h LEU 105 Ca 0.05 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.21 1ckk h LEU 105 Cb 0.01 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 1ckk h LEU 105 CO -0.01 0.62 0.61 -0.09 0.09 0.00 0.00 178.44 179.67 1ckk h ARG 106 N 1.05 0.52 0.62 1.13 2.43 -0.67 0.63 114.38 120.09 1ckk h ARG 106 Ca 0.32 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 1ckk h ARG 106 Cb -0.03 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1ckk h ARG 106 CO -0.10 0.34 -0.30 1.25 -1.51 0.00 0.00 179.97 179.66 1ckk h HIS 107 N 0.53 -0.77 -0.49 2.20 2.76 -0.28 -1.02 115.15 118.09 1ckk h HIS 107 Ca 0.51 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.68 1ckk h HIS 107 Cb 1.10 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 30.29 1ckk h HIS 107 CO -0.00 -0.48 0.32 0.28 -1.30 0.00 0.00 177.93 176.76 1ckk h VAL 108 N -0.83 1.11 0.04 5.26 2.07 -0.75 -2.03 116.25 121.12 1ckk h VAL 108 Ca -0.08 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1ckk h VAL 108 Cb 0.64 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ckk h VAL 108 CO 0.14 0.12 -0.03 0.24 0.02 0.00 0.00 177.57 178.06 1ckk h MET 109 N 0.64 -0.07 -0.07 1.57 2.07 0.88 0.83 114.93 120.78 1ckk h MET 109 Ca 0.18 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.84 1ckk h MET 109 Cb -0.04 0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 29.70 1ckk h MET 109 CO -0.04 -0.04 0.24 1.15 1.07 0.00 0.00 176.91 179.28 1ckk h THR 110 N -0.07 0.13 0.00 2.22 2.02 -1.16 0.78 112.91 116.83 1ckk h THR 110 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ckk h THR 110 Cb 0.06 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1ckk h THR 110 CO 0.00 0.00 -0.22 0.59 0.37 0.00 0.00 175.52 176.26 1ckk n ASN 111 N -3.20 0.25 -0.07 4.18 3.02 -0.77 -4.09 115.26 114.58 1ckk n ASN 111 Ca -0.01 0.19 -0.10 0.00 -0.03 0.00 0.00 54.58 54.63 1ckk n ASN 111 Cb 0.32 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ckk n LEU 112 N -1.54 2.92 0.00 3.41 4.77 0.25 -4.41 117.00 122.40 1ckk n LEU 112 Ca 0.06 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ckk n LEU 112 Cb 0.34 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1ckk n LEU 112 CO 0.31 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1ckk n GLY 113 N 2.79 -0.84 3.87 -0.72 0.00 0.10 -5.00 105.19 105.39 1ckk n GLY 113 Ca -0.26 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 2.45 0.00 1.61 2.56 -1.24 -4.76 118.70 119.31 1ckk s GLU 114 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 54.97 53.32 1ckk s GLU 114 Cb 0.00 -2.30 0.00 0.00 2.00 0.00 0.00 34.13 33.83 1ckk s GLU 114 CO 0.00 -0.26 0.51 1.63 -0.56 0.00 0.00 175.26 176.58 1ckk n LYS 115 N -1.56 0.56 -1.48 4.30 4.01 -1.26 -3.30 118.16 119.43 1ckk n LYS 115 Ca 0.03 -0.64 0.04 0.00 -0.51 0.00 0.00 58.31 57.23 1ckk n LYS 115 Cb 0.62 -0.74 -0.02 0.00 -0.51 0.00 0.00 35.03 34.38 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ckk n LEU 116 N -0.13 -1.32 0.00 -0.35 4.32 -1.26 -4.88 117.00 113.38 1ckk n LEU 116 Ca 0.00 2.41 0.00 0.00 -0.02 0.00 0.00 56.01 58.40 1ckk n LEU 116 Cb 0.26 -2.98 0.00 0.00 -1.62 0.00 0.00 43.42 39.08 1ckk n LEU 116 CO 0.00 -1.06 0.00 0.41 -1.22 0.00 0.00 177.39 175.52 1ckk n THR 117 N -3.04 0.00 -0.04 -5.08 -1.04 -1.26 -4.88 114.28 98.94 1ckk n THR 117 Ca -0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 1ckk n THR 117 Cb 0.48 -0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.93 1ckk n THR 117 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ckk n ASP 118 N 0.00 3.34 -0.05 8.00 5.75 -1.26 -4.17 116.55 128.16 1ckk n ASP 118 Ca 0.00 -0.02 -0.14 0.00 -0.01 0.00 0.00 54.79 54.62 1ckk n ASP 118 Cb 0.00 0.39 -0.07 0.00 -1.03 0.00 0.00 41.12 40.41 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1ckk h GLU 119 N 0.00 0.43 -0.26 0.11 4.81 -2.00 -2.31 114.58 115.36 1ckk h GLU 119 Ca -0.19 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.65 1ckk h GLU 119 Cb 1.37 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1ckk h GLU 119 CO -0.00 0.87 -0.34 1.05 -0.73 0.00 0.00 179.01 179.85 1ckk h GLU 120 N 0.04 0.57 -0.59 1.92 4.11 -1.96 -1.27 114.58 117.40 1ckk h GLU 120 Ca 0.01 -0.26 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1ckk h GLU 120 Cb 0.84 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1ckk h GLU 120 CO 0.06 0.84 0.20 0.28 0.07 0.00 0.00 179.01 180.45 1ckk h VAL 121 N 0.49 1.22 -0.04 -1.06 2.07 -1.71 1.07 116.25 118.29 1ckk h VAL 121 Ca 0.05 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 1ckk h VAL 121 Cb 0.82 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ckk h VAL 121 CO 0.07 0.29 -0.17 0.44 0.02 0.00 0.00 177.57 178.22 1ckk h ASP 122 N 0.86 0.21 0.28 0.57 3.32 -1.15 -2.76 116.42 117.76 1ckk h ASP 122 Ca 0.20 -0.65 -0.08 0.00 0.02 0.00 0.00 57.03 56.52 1ckk h ASP 122 Cb 0.23 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1ckk h ASP 122 CO -0.01 0.83 -0.34 -0.08 -1.72 0.00 0.00 179.24 177.92 1ckk h GLU 123 N -0.39 0.10 -0.34 3.56 4.57 -1.04 -1.53 114.58 119.50 1ckk h GLU 123 Ca -0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1ckk h GLU 123 Cb 0.82 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.39 1ckk h GLU 123 CO 0.03 0.43 0.20 1.98 -1.18 0.00 0.00 179.01 180.47 1ckk h MET 124 N 0.08 0.47 0.31 1.92 4.05 0.12 0.34 114.93 122.23 1ckk h MET 124 Ca 0.01 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1ckk h MET 124 Cb 0.64 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1ckk h MET 124 CO 0.05 0.37 -0.15 0.82 0.23 0.00 0.00 176.91 178.23 1ckk h ILE 125 N 0.44 0.48 0.31 1.77 1.08 -1.25 -3.02 117.51 117.33 1ckk h ILE 125 Ca 0.12 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1ckk h ILE 125 Cb 0.03 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 1ckk h ILE 125 CO -0.02 0.11 -0.40 0.03 -0.69 0.00 0.00 178.15 177.18 1ckk h ARG 126 N -0.96 -0.71 -1.46 2.37 3.08 -1.28 0.43 114.38 115.86 1ckk h ARG 126 Ca -0.04 0.05 0.42 0.00 0.07 0.00 0.00 59.98 60.48 1ckk h ARG 126 Cb 0.50 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1ckk h ARG 126 CO 0.07 -0.47 1.22 1.49 -1.07 0.00 0.00 179.97 181.21 1ckk h GLU 127 N -0.73 0.00 0.05 0.04 4.57 -0.45 0.98 114.58 119.04 1ckk h GLU 127 Ca -0.04 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.81 1ckk h GLU 127 Cb 0.66 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1ckk h GLU 127 CO -0.10 0.00 -1.88 0.00 -1.18 0.00 0.00 179.01 175.85 1ckk n ALA 128 N -2.64 1.24 -1.55 2.92 0.00 -0.09 -4.77 120.51 115.63 1ckk n ALA 128 Ca 0.33 -0.73 -0.25 0.00 0.00 0.00 0.00 53.44 52.78 1ckk n ALA 128 Cb 1.66 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 20.32 1ckk n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckk n ASP 129 N -3.22 1.77 -0.22 0.00 8.00 0.34 -4.75 116.55 118.47 1ckk n ASP 129 Ca -0.25 -0.91 0.20 0.00 0.71 0.00 0.00 54.79 54.54 1ckk n ASP 129 Cb 1.05 -1.53 0.54 0.00 -0.02 0.00 0.00 41.12 41.17 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 7.68 0.67 0.00 0.53 5.03 -1.86 0.17 117.51 129.73 1ckk h ILE 130 Ca -0.11 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 1ckk h ILE 130 Cb 1.15 0.29 0.00 0.00 -3.03 0.00 0.00 36.82 35.23 1ckk h ILE 130 CO 1.13 0.06 -1.22 -0.90 -0.68 0.00 0.00 178.15 176.54 1ckk n ASP 131 N -4.48 0.55 -2.78 1.72 5.75 -1.26 -5.03 116.55 111.03 1ckk n ASP 131 Ca 0.19 -0.06 -0.07 0.00 -0.01 0.00 0.00 54.79 54.84 1ckk n ASP 131 Cb 0.72 0.97 0.01 0.00 -1.03 0.00 0.00 41.12 41.79 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 1.30 -1.27 0.00 6.12 0.00 0.59 -4.97 105.19 106.97 1ckk n GLY 132 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.13 1ckk n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 133 N -0.44 1.28 0.00 1.61 5.68 -1.26 -4.97 116.55 118.45 1ckk n ASP 133 Ca 0.10 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 52.94 1ckk n ASP 133 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 134 N -0.22 0.58 3.70 6.12 0.00 -1.26 -5.01 105.19 109.10 1ckk n GLY 134 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.93 0.90 0.26 1.61 -2.07 -1.26 -4.69 119.66 113.49 1ckk s GLN 135 Ca 0.00 -0.49 0.11 0.00 -1.82 0.00 0.00 55.36 53.15 1ckk s GLN 135 Cb 0.00 0.31 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1ckk s GLN 135 CO 0.00 -0.41 -0.11 0.08 -1.32 0.00 0.00 175.29 173.52 1ckk s VAL 136 N -2.98 2.93 0.00 3.63 1.01 -0.82 -4.85 120.40 119.33 1ckk s VAL 136 Ca 0.13 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1ckk s VAL 136 Cb 0.01 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1ckk s VAL 136 CO -0.00 -0.35 0.00 -3.20 0.00 0.00 0.00 175.10 171.55 1ckk n ASN 137 N -0.62 1.64 0.06 3.32 5.15 -1.26 -0.89 115.26 122.66 1ckk n ASN 137 Ca -0.07 -0.72 -0.03 0.00 -0.60 0.00 0.00 54.58 53.17 1ckk n ASN 137 Cb 0.59 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ckk h TYR 138 N 0.72 -0.19 -0.82 1.20 3.20 -1.99 -2.62 116.97 116.47 1ckk h TYR 138 Ca 0.00 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.05 1ckk h TYR 138 Cb 0.00 0.06 -0.15 0.00 1.54 0.00 0.00 36.73 38.18 1ckk h TYR 138 CO 0.00 -0.12 -0.08 1.49 -1.64 0.00 0.00 178.16 177.81 1ckk h GLU 139 N -0.62 0.04 0.27 1.82 4.57 -1.99 -0.09 114.58 118.58 1ckk h GLU 139 Ca -0.02 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1ckk h GLU 139 Cb 0.16 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1ckk h GLU 139 CO 0.03 0.03 -0.34 1.49 -1.18 0.00 0.00 179.01 179.05 1ckk h GLU 140 N 0.04 -0.64 0.00 1.92 4.81 -1.98 0.13 114.58 118.87 1ckk h GLU 140 Ca 0.43 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1ckk h GLU 140 Cb 0.74 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1ckk h GLU 140 CO -0.78 -0.42 0.40 0.35 -0.73 0.00 0.00 179.01 177.83 1ckk h PHE 141 N -0.66 0.00 0.00 0.92 3.57 -0.64 -1.60 116.94 118.54 1ckk h PHE 141 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ckk h PHE 141 Cb 0.62 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1ckk h PHE 141 CO -0.23 0.00 0.00 0.28 -2.23 0.00 0.00 178.31 176.13 1ckk n VAL 142 N -2.80 0.00 -0.26 1.41 0.31 -0.04 -3.68 118.33 113.27 1ckk n VAL 142 Ca -0.02 0.48 0.04 0.00 -0.01 0.00 0.00 64.34 64.84 1ckk n VAL 142 Cb 0.44 -1.48 0.14 0.00 -0.91 0.00 0.00 33.84 32.03 1ckk n VAL 142 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ckk h GLN 143 N 0.00 0.05 0.00 5.55 4.15 -0.81 1.23 115.11 125.29 1ckk h GLN 143 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ckk h GLN 143 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1ckk h GLN 143 CO 0.00 0.03 0.00 -0.12 -1.93 0.00 0.00 178.83 176.81 1ckk n MET 144 N -5.42 0.02 -0.13 1.69 1.56 -0.61 -3.29 117.12 110.94 1ckk n MET 144 Ca 0.13 0.21 -0.26 0.00 -0.27 0.00 0.00 57.70 57.50 1ckk n MET 144 Cb 0.45 -1.53 -0.10 0.00 2.15 0.00 0.00 33.22 34.20 1ckk n MET 144 CO 0.00 0.00 0.00 -0.12 -0.73 0.00 0.00 175.97 175.12 1ckk n MET 145 N -1.56 0.58 -3.40 2.12 0.00 0.38 -4.88 117.12 110.37 1ckk n MET 145 Ca 0.04 0.23 -0.26 0.00 -0.00 0.00 0.00 57.70 57.71 1ckk n MET 145 Cb 0.21 -1.47 -0.10 0.00 0.00 0.00 0.00 33.22 31.87 1ckk n MET 145 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1ckk s THR 146 N -2.49 0.14 -0.37 1.12 -1.32 0.11 -5.01 115.64 107.82 1ckk s THR 146 Ca -0.37 -2.04 -0.05 0.00 -1.21 0.00 0.00 61.69 58.02 1ckk s THR 146 Cb 0.13 -1.09 -0.17 0.00 -1.51 0.00 0.00 72.50 69.86 1ckk s THR 146 CO 0.50 -1.03 2.77 0.00 -2.21 0.00 0.00 174.62 174.64 1ckk n ALA 147 N 3.48 5.37 1.75 11.08 0.00 -1.21 -4.68 120.51 136.31 1ckk n ALA 147 Ca 0.20 -1.77 0.15 0.00 0.00 0.00 0.00 53.44 52.02 1ckk n ALA 147 Cb 0.43 -2.56 0.74 0.00 0.00 0.00 0.00 19.45 18.06 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67