#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 1.67 -2.85 0.00 -0.08 -1.26 -5.02 116.55 109.00 1ckk n ASP 2 Ca 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1ckk n ASP 2 Cb 0.00 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.81 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk n GLN 3 N -4.14 0.32 -2.90 -0.67 6.02 -1.26 -4.93 117.38 109.82 1ckk n GLN 3 Ca -0.24 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.31 1ckk n GLN 3 Cb 0.57 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.80 1ckk n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ckk s LEU 4 N 0.00 4.58 -1.01 1.08 1.43 -1.26 -4.54 118.68 118.97 1ckk s LEU 4 Ca 0.00 -1.15 -0.16 0.00 -1.03 0.00 0.00 54.13 51.79 1ckk s LEU 4 Cb 0.00 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1ckk s LEU 4 CO 0.00 -1.37 0.64 0.35 0.23 0.00 0.00 176.35 176.21 1ckk n THR 5 N 5.84 -3.08 -0.11 5.49 -2.24 -1.26 -4.87 114.28 114.04 1ckk n THR 5 Ca -0.02 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1ckk n THR 5 Cb 0.45 -2.65 -0.14 0.00 -2.10 0.00 0.00 70.33 65.89 1ckk n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1ckk n GLU 6 N -3.77 0.68 0.01 -0.78 2.13 -1.26 -4.36 120.64 113.29 1ckk n GLU 6 Ca -0.22 0.06 -0.02 0.00 0.66 0.00 0.00 57.16 57.64 1ckk n GLU 6 Cb 0.63 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.82 1ckk n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ckk h GLU 7 N 0.00 -0.07 -0.87 5.31 4.39 -1.95 0.46 114.58 121.85 1ckk h GLU 7 Ca -0.56 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.29 1ckk h GLU 7 Cb 2.08 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 30.60 1ckk h GLU 7 CO -0.03 -0.05 -0.37 1.96 -1.16 0.00 0.00 179.01 179.36 1ckk h GLN 8 N -0.08 -0.05 -0.91 2.33 4.20 -1.99 0.94 115.11 119.56 1ckk h GLN 8 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1ckk h GLN 8 Cb 0.08 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 1ckk h GLN 8 CO -0.04 -0.03 0.59 0.82 -0.67 0.00 0.00 178.83 179.50 1ckk h ILE 9 N -0.05 1.06 -0.96 2.54 2.04 -1.64 -0.65 117.51 119.85 1ckk h ILE 9 Ca 0.31 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1ckk h ILE 9 Cb 0.58 -0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1ckk h ILE 9 CO -0.89 0.19 0.63 0.00 0.00 0.00 0.00 178.15 178.07 1ckk h ALA 10 N 1.51 1.40 0.62 1.87 0.00 0.57 -0.28 119.26 124.95 1ckk h ALA 10 Ca 0.39 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1ckk h ALA 10 Cb 0.21 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ckk h ALA 10 CO -0.15 0.49 -0.30 0.93 0.00 0.00 0.00 179.25 180.22 1ckk h GLU 11 N 1.18 -0.80 -0.74 0.00 5.08 0.11 0.54 114.58 119.96 1ckk h GLU 11 Ca 0.39 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.89 1ckk h GLU 11 Cb 0.06 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 1ckk h GLU 11 CO -0.13 -0.53 0.49 0.74 -1.00 0.00 0.00 179.01 178.58 1ckk h PHE 12 N -0.84 0.73 -0.58 4.33 0.04 -1.22 -0.44 116.94 118.98 1ckk h PHE 12 Ca -0.08 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1ckk h PHE 12 Cb 0.64 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1ckk h PHE 12 CO -0.03 0.37 0.21 -0.22 -0.60 0.00 0.00 178.31 178.04 1ckk h LYS 13 N 0.71 0.87 -0.71 1.51 3.11 -0.50 -1.72 116.57 119.84 1ckk h LYS 13 Ca 0.33 -0.17 0.14 0.00 -2.81 0.00 0.00 60.65 58.14 1ckk h LYS 13 Cb 0.37 -0.14 -0.10 0.00 -1.00 0.00 0.00 32.23 31.37 1ckk h LYS 13 CO -0.12 0.77 0.23 1.49 -2.81 0.00 0.00 179.45 179.01 1ckk h GLU 14 N 0.80 0.35 -0.06 1.90 4.57 0.83 0.30 114.58 123.26 1ckk h GLU 14 Ca 0.19 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1ckk h GLU 14 Cb 0.23 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1ckk h GLU 14 CO -0.01 0.23 0.02 0.00 -1.18 0.00 0.00 179.01 178.07 1ckk h ALA 15 N 1.54 0.08 -0.33 2.92 0.00 -1.19 -2.10 119.26 120.18 1ckk h ALA 15 Ca 0.39 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1ckk h ALA 15 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1ckk h ALA 15 CO -0.42 -0.32 0.25 0.35 0.00 0.00 0.00 179.25 179.11 1ckk h PHE 16 N -0.09 0.00 -0.15 0.00 3.57 -0.23 -1.52 116.94 118.53 1ckk h PHE 16 Ca 0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1ckk h PHE 16 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1ckk h PHE 16 CO -0.01 0.00 -0.09 1.03 -2.23 0.00 0.00 178.31 177.01 1ckk h SER 17 N 0.00 0.34 -0.85 0.41 0.87 0.18 0.16 113.55 114.66 1ckk h SER 17 Ca 0.16 -0.44 0.12 0.00 -1.23 0.00 0.00 61.79 60.40 1ckk h SER 17 Cb 0.66 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 1ckk h SER 17 CO -0.00 0.70 0.55 0.25 -0.53 0.00 0.00 176.83 177.80 1ckk h LEU 18 N -0.02 0.66 0.01 2.23 6.46 -0.87 -2.77 115.31 121.00 1ckk h LEU 18 Ca 0.03 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1ckk h LEU 18 Cb 0.59 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1ckk h LEU 18 CO 0.03 0.36 -0.00 -0.26 -0.62 0.00 0.00 178.44 177.94 1ckk h PHE 19 N 0.71 -0.01 -2.71 1.25 0.04 -1.34 -3.43 116.94 111.45 1ckk h PHE 19 Ca 0.41 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.61 1ckk h PHE 19 Cb 0.60 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 1ckk h PHE 19 CO -0.00 0.70 1.22 0.34 -0.60 0.00 0.00 178.31 179.97 1ckk s ASP 20 N -6.00 6.06 -0.16 2.17 2.15 0.53 -4.54 116.67 116.89 1ckk s ASP 20 Ca -0.14 1.41 -0.13 0.00 0.43 0.00 0.00 52.55 54.13 1ckk s ASP 20 Cb -0.02 -2.53 -0.23 0.00 -0.30 0.00 0.00 42.92 39.84 1ckk s ASP 20 CO 0.51 -1.55 0.29 0.29 -0.17 0.00 0.00 175.17 174.54 1ckk n LYS 21 N 8.17 0.68 0.17 4.34 4.76 -1.26 -4.04 118.16 130.98 1ckk n LYS 21 Ca 0.21 0.39 0.14 0.00 -2.87 0.00 0.00 58.31 56.18 1ckk n LYS 21 Cb 0.46 -1.72 0.50 0.00 -1.84 0.00 0.00 35.03 32.43 1ckk n LYS 21 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1ckk h ASP 22 N -0.37 0.00 -4.87 4.39 3.04 -1.95 -3.47 116.42 113.19 1ckk h ASP 22 Ca -0.40 0.00 -0.08 0.00 -3.24 0.00 0.00 57.03 53.31 1ckk h ASP 22 Cb 1.74 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 40.09 1ckk h ASP 22 CO -0.04 0.00 -0.28 0.61 -2.04 0.00 0.00 179.24 177.49 1ckk n GLY 23 N 0.34 -0.89 0.00 7.15 0.00 -1.26 -4.97 105.19 105.56 1ckk n GLY 23 Ca 0.02 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.12 2.12 0.00 1.61 5.68 -1.26 -5.05 116.55 117.53 1ckk n ASP 24 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1ckk n ASP 24 Cb 0.54 0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 1.87 1.16 3.01 6.12 0.00 -1.26 -5.01 105.19 111.09 1ckk n GLY 25 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.79 -0.43 2.61 -4.23 -1.07 -4.00 115.64 105.73 1ckk s THR 26 Ca 0.00 -0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.16 1ckk s THR 26 Cb 0.00 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.90 1ckk s THR 26 CO 0.00 -0.13 0.75 -0.63 -0.54 0.00 0.00 174.62 174.07 1ckk s ILE 27 N 2.67 4.70 0.55 2.99 1.01 0.32 -4.68 121.20 128.76 1ckk s ILE 27 Ca 0.12 0.44 0.09 0.00 0.00 0.00 0.00 60.65 61.30 1ckk s ILE 27 Cb -0.13 -4.28 0.07 0.00 0.01 0.00 0.00 42.46 38.14 1ckk s ILE 27 CO -0.25 -0.65 0.73 0.42 0.00 0.00 0.00 174.94 175.20 1ckk s THR 28 N 3.17 2.22 0.66 2.92 -4.23 -1.26 -2.56 115.64 116.56 1ckk s THR 28 Ca 0.29 -1.04 0.39 0.00 -1.18 0.00 0.00 61.69 60.15 1ckk s THR 28 Cb -0.13 -2.26 0.39 0.00 1.34 0.00 0.00 72.50 71.85 1ckk s THR 28 CO 0.21 0.00 2.21 0.71 -0.54 0.00 0.00 174.62 177.21 1ckk h THR 29 N 0.29 0.00 0.18 3.99 1.35 -1.93 -2.08 112.91 114.70 1ckk h THR 29 Ca -0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 1ckk h THR 29 Cb 1.29 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1ckk h THR 29 CO 0.43 0.00 -0.09 0.50 -0.25 0.00 0.00 175.52 176.11 1ckk h LYS 30 N 0.00 -0.23 0.79 4.72 3.64 -1.96 0.84 116.57 124.37 1ckk h LYS 30 Ca 0.00 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 1ckk h LYS 30 Cb 0.23 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ckk h LYS 30 CO 0.00 0.14 -0.38 0.93 -2.27 0.00 0.00 179.45 177.87 1ckk h GLU 31 N -0.93 -1.02 0.00 1.90 5.08 -1.75 -0.83 114.58 117.03 1ckk h GLU 31 Ca -0.02 0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1ckk h GLU 31 Cb 0.48 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1ckk h GLU 31 CO 0.04 -0.68 -0.08 1.25 -1.00 0.00 0.00 179.01 178.54 1ckk h LEU 32 N -1.27 0.00 -0.36 1.33 5.85 -1.56 -2.02 115.31 117.28 1ckk h LEU 32 Ca -0.11 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.42 1ckk h LEU 32 Cb 0.82 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1ckk h LEU 32 CO 0.18 0.08 -0.74 1.23 -0.34 0.00 0.00 178.44 178.85 1ckk h GLY 33 N 0.52 0.53 0.71 3.75 0.00 -0.63 -2.61 103.07 105.33 1ckk h GLY 33 Ca -0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1ckk h GLY 33 CO 0.01 0.67 -0.23 -0.84 0.00 0.00 0.00 176.54 176.15 1ckk h THR 34 N 0.33 1.39 -0.83 4.70 2.02 -0.43 -2.21 112.91 117.88 1ckk h THR 34 Ca -0.04 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.61 1ckk h THR 34 Cb 1.33 2.11 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 1ckk h THR 34 CO 0.13 0.44 0.46 0.58 0.37 0.00 0.00 175.52 177.50 1ckk h VAL 35 N -0.10 1.24 -0.08 3.16 2.07 -1.52 -0.69 116.25 120.34 1ckk h VAL 35 Ca 0.00 -0.59 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 1ckk h VAL 35 Cb 0.82 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ckk h VAL 35 CO 0.05 0.27 -0.44 0.24 0.02 0.00 0.00 177.57 177.71 1ckk h MET 36 N 1.15 0.19 0.00 1.57 2.86 -1.49 -2.76 114.93 116.45 1ckk h MET 36 Ca 0.29 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1ckk h MET 36 Cb 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1ckk h MET 36 CO -0.05 0.60 -0.05 -0.09 1.06 0.00 0.00 176.91 178.38 1ckk h ARG 37 N 0.16 0.00 -0.18 1.72 9.65 -0.84 -3.30 114.38 121.59 1ckk h ARG 37 Ca 0.01 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.80 1ckk h ARG 37 Cb 0.84 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.42 1ckk h ARG 37 CO 0.07 0.05 -0.26 0.77 2.80 0.00 0.00 179.97 183.39 1ckk h SER 38 N 0.00 0.54 -1.02 -3.80 0.02 -0.84 -3.11 113.55 105.34 1ckk h SER 38 Ca -0.00 -0.52 0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1ckk h SER 38 Cb 1.01 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 63.30 1ckk h SER 38 CO 0.01 0.95 0.66 -0.07 -1.14 0.00 0.00 176.83 177.24 1ckk h LEU 39 N 0.14 0.44 0.00 5.07 3.38 -1.63 -3.44 115.31 119.27 1ckk h LEU 39 Ca 0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ckk h LEU 39 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ckk h LEU 39 CO 0.06 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1ckk n GLY 40 N -1.48 1.10 0.00 0.83 0.00 -1.17 -4.98 105.19 99.48 1ckk n GLY 40 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 2.01 -3.14 1.61 1.13 -1.25 -5.09 117.38 112.65 1ckk n GLN 41 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 1ckk n GLN 41 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1ckk n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ckk n ASN 42 N -1.02 -0.57 -4.58 1.08 5.15 -1.26 -4.66 115.26 109.40 1ckk n ASN 42 Ca 0.00 -2.74 -0.41 0.00 -0.60 0.00 0.00 54.58 50.83 1ckk n ASN 42 Cb 0.00 -0.14 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ckk s PRO 43 N -0.59 3.24 0.72 1.20 0.04 -1.26 -4.98 135.00 133.37 1ckk s PRO 43 Ca 0.34 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 1ckk s PRO 43 Cb 0.15 -4.16 -0.01 0.00 0.04 0.00 0.00 34.50 30.52 1ckk s PRO 43 CO -0.14 -2.00 0.77 2.41 0.04 0.00 0.00 177.00 178.07 1ckk n THR 44 N 7.00 2.30 -0.15 1.26 -1.04 -1.26 -4.80 114.28 117.59 1ckk n THR 44 Ca 0.15 -0.38 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 1ckk n THR 44 Cb 0.49 -0.93 -0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1ckk n THR 44 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1ckk h GLU 45 N -0.32 0.74 0.22 -2.82 4.22 -1.98 -2.03 114.58 112.61 1ckk h GLU 45 Ca -0.46 -0.21 -0.00 0.00 0.08 0.00 0.00 59.36 58.77 1ckk h GLU 45 Cb 1.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1ckk h GLU 45 CO 0.45 0.78 -0.36 0.00 -2.18 0.00 0.00 179.01 177.70 1ckk h ALA 46 N 0.94 -0.95 -0.93 2.92 0.00 -2.00 -0.32 119.26 118.91 1ckk h ALA 46 Ca 0.13 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.13 1ckk h ALA 46 Cb 0.41 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1ckk h ALA 46 CO 0.01 -1.00 0.60 0.93 0.00 0.00 0.00 179.25 179.79 1ckk h GLU 47 N -0.61 0.51 -0.03 0.00 4.39 -1.93 -0.61 114.58 116.30 1ckk h GLU 47 Ca -0.02 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1ckk h GLU 47 Cb 0.57 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1ckk h GLU 47 CO -0.12 0.34 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.96 1ckk h LEU 48 N 0.53 -0.13 -1.44 1.33 3.38 -0.43 0.06 115.31 118.61 1ckk h LEU 48 Ca 0.50 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.64 1ckk h LEU 48 Cb 1.06 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1ckk h LEU 48 CO -0.23 -0.06 0.54 -0.61 0.09 0.00 0.00 178.44 178.17 1ckk h GLN 49 N -0.06 0.53 -0.11 1.13 5.75 0.50 0.23 115.11 123.07 1ckk h GLN 49 Ca 0.03 -0.03 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 1ckk h GLN 49 Cb 0.10 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1ckk h GLN 49 CO -0.07 0.35 -0.60 -0.44 -2.65 0.00 0.00 178.83 175.43 1ckk h ASP 50 N 0.54 0.43 0.69 -0.69 5.19 -0.92 -2.65 116.42 119.02 1ckk h ASP 50 Ca 0.41 -0.24 -0.07 0.00 -0.62 0.00 0.00 57.03 56.52 1ckk h ASP 50 Cb 0.81 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1ckk h ASP 50 CO -0.16 0.93 -0.31 -0.03 -3.12 0.00 0.00 179.24 176.54 1ckk h MET 51 N 0.29 0.00 0.15 3.56 4.05 0.13 -3.11 114.93 120.00 1ckk h MET 51 Ca -0.00 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.14 1ckk h MET 51 Cb 1.12 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.95 1ckk h MET 51 CO 0.10 0.31 -1.18 0.97 0.23 0.00 0.00 176.91 177.34 1ckk h ILE 52 N 0.00 1.34 -0.10 1.77 6.09 -0.93 -3.18 117.51 122.50 1ckk h ILE 52 Ca -0.00 -2.50 0.03 0.00 -1.37 0.00 0.00 64.86 61.01 1ckk h ILE 52 Cb 0.74 2.87 -0.00 0.00 0.47 0.00 0.00 36.82 40.90 1ckk h ILE 52 CO 0.04 0.75 0.29 0.78 -3.07 0.00 0.00 178.15 176.94 1ckk h ASN 53 N 0.09 0.00 0.43 2.19 2.35 -1.40 -0.16 115.58 119.08 1ckk h ASN 53 Ca -0.19 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1ckk h ASN 53 Cb 1.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.26 1ckk h ASN 53 CO 0.22 0.00 -0.20 -0.08 -1.65 0.00 0.00 177.43 175.72 1ckk h GLU 54 N 0.00 -0.55 0.00 0.81 4.57 -1.59 -3.17 114.58 114.65 1ckk h GLU 54 Ca 0.05 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1ckk h GLU 54 Cb 0.63 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 1ckk h GLU 54 CO -0.00 -0.25 -0.18 0.28 -1.18 0.00 0.00 179.01 177.68 1ckk h VAL 55 N -0.99 0.43 -0.13 0.32 2.07 -1.51 -3.40 116.25 113.04 1ckk h VAL 55 Ca -0.06 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1ckk h VAL 55 Cb 0.56 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1ckk h VAL 55 CO 0.10 0.18 0.26 -0.67 0.02 0.00 0.00 177.57 177.45 1ckk n ASP 56 N -3.32 0.85 0.00 0.57 -0.08 -0.14 -4.75 116.55 109.68 1ckk n ASP 56 Ca 0.00 -1.97 0.00 0.00 -1.51 0.00 0.00 54.79 51.31 1ckk n ASP 56 Cb 0.41 -1.50 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk n ALA 57 N 16.87 -0.35 -0.31 -1.67 0.00 -1.26 -3.31 120.51 130.48 1ckk n ALA 57 Ca 0.39 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1ckk n ALA 57 Cb 0.44 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.22 1ckk n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ckk h ASP 58 N 0.00 0.42 0.00 0.00 2.03 -1.97 -3.45 116.42 113.44 1ckk h ASP 58 Ca 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1ckk h ASP 58 Cb 0.00 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1ckk h ASP 58 CO 0.00 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 1ckk n GLY 59 N -1.33 0.93 0.13 7.15 0.00 -1.21 -5.04 105.19 105.82 1ckk n GLY 59 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.05 115.26 119.48 1ckk n ASN 60 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.65 1ckk n ASN 60 Cb 0.00 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 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 1.81 3.68 3.93 4.83 0.00 -1.26 -5.13 105.19 113.07 1ckk n GLY 61 Ca -0.48 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 5.10 -0.06 2.61 -4.23 -1.26 -4.80 115.64 112.99 1ckk s THR 62 Ca 0.00 -0.36 -0.16 0.00 -1.18 0.00 0.00 61.69 59.99 1ckk s THR 62 Cb 0.00 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.96 1ckk s THR 62 CO 0.00 -0.49 0.42 -0.63 -0.54 0.00 0.00 174.62 173.38 1ckk s ILE 63 N -2.24 5.11 0.39 2.99 -1.09 -1.06 -4.73 121.20 120.57 1ckk s ILE 63 Ca 0.41 0.85 0.08 0.00 -2.23 0.00 0.00 60.65 59.75 1ckk s ILE 63 Cb -0.10 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1ckk s ILE 63 CO 0.35 0.46 0.33 -0.62 -1.23 0.00 0.00 174.94 174.23 1ckk s ASP 64 N -0.27 5.07 0.20 3.58 -1.08 -1.26 -0.52 116.67 122.39 1ckk s ASP 64 Ca 0.24 -0.69 -0.10 0.00 -0.52 0.00 0.00 52.55 51.47 1ckk s ASP 64 Cb -0.16 -0.69 0.23 0.00 -1.46 0.00 0.00 42.92 40.85 1ckk s ASP 64 CO 0.11 -0.55 1.79 0.15 0.52 0.00 0.00 175.17 177.19 1ckk h PHE 65 N 1.13 0.56 -0.06 -5.34 3.57 -1.96 -1.63 116.94 113.22 1ckk h PHE 65 Ca -0.42 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 60.98 1ckk h PHE 65 Cb 1.26 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1ckk h PHE 65 CO 0.53 0.24 -0.50 -1.00 -2.23 0.00 0.00 178.31 175.35 1ckk h PRO 66 N 0.57 0.15 -0.35 6.41 0.13 -1.96 -2.73 132.00 134.21 1ckk h PRO 66 Ca 0.29 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.29 1ckk h PRO 66 Cb 0.24 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1ckk h PRO 66 CO -0.21 0.62 0.02 1.49 -0.23 0.00 0.00 178.00 179.69 1ckk h GLU 67 N 0.12 0.54 -0.22 0.86 4.81 -1.68 -2.44 114.58 116.57 1ckk h GLU 67 Ca 0.00 -0.11 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 1ckk h GLU 67 Cb 0.93 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.23 1ckk h GLU 67 CO 0.07 0.55 -0.46 0.35 -0.73 0.00 0.00 179.01 178.79 1ckk h PHE 68 N 0.52 0.89 -0.58 0.92 3.04 -1.13 -2.45 116.94 118.15 1ckk h PHE 68 Ca 0.11 -0.33 0.05 0.00 3.98 0.00 0.00 57.97 61.79 1ckk h PHE 68 Cb 0.30 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1ckk h PHE 68 CO 0.01 1.11 0.38 -0.07 -2.02 0.00 0.00 178.31 177.72 1ckk h LEU 69 N 0.41 0.52 -0.17 0.59 3.38 -1.18 -1.70 115.31 117.15 1ckk h LEU 69 Ca 0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1ckk h LEU 69 Cb 1.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1ckk h LEU 69 CO 0.10 0.34 -0.96 0.71 0.09 0.00 0.00 178.44 178.73 1ckk h THR 70 N 0.59 1.48 0.49 0.22 1.35 -1.35 -3.16 112.91 112.54 1ckk h THR 70 Ca 0.24 -2.69 -0.02 0.00 -0.55 0.00 0.00 66.41 63.39 1ckk h THR 70 Cb 0.21 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1ckk h THR 70 CO -0.07 0.79 -0.23 -0.03 -0.25 0.00 0.00 175.52 175.72 1ckk h MET 71 N 0.13 -0.63 0.00 4.72 1.85 -0.83 0.71 114.93 120.88 1ckk h MET 71 Ca -0.07 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1ckk h MET 71 Cb 1.61 0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.79 1ckk h MET 71 CO 0.15 -0.42 0.23 1.98 -0.40 0.00 0.00 176.91 178.45 1ckk h MET 72 N -0.81 0.00 0.03 0.39 -1.53 -1.59 0.63 114.93 112.04 1ckk h MET 72 Ca -0.07 0.00 -0.33 0.00 -3.44 0.00 0.00 59.70 55.86 1ckk h MET 72 Cb 0.50 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.50 1ckk h MET 72 CO 0.11 0.00 -1.99 0.00 0.14 0.00 0.00 176.91 175.17 1ckk n ALA 73 N -1.72 1.36 1.00 0.39 0.00 -1.05 -4.10 120.51 116.39 1ckk n ALA 73 Ca -0.01 -0.88 0.10 0.00 0.00 0.00 0.00 53.44 52.65 1ckk n ALA 73 Cb 0.26 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.09 0.01 0.17 0.00 3.00 0.22 -4.15 116.66 112.81 1ckk n ARG 74 Ca -0.26 -0.01 0.10 0.00 -0.00 0.00 0.00 57.85 57.68 1ckk n ARG 74 Cb 1.07 -1.50 0.09 0.00 0.00 0.00 0.00 32.46 32.12 1ckk n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1ckk h LYS 75 N 0.02 0.00 -1.87 -0.14 1.63 -0.00 -3.33 116.57 112.87 1ckk h LYS 75 Ca 0.00 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.22 1ckk h LYS 75 Cb 0.50 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 31.92 1ckk h LYS 75 CO 0.00 0.06 0.63 -0.12 -3.45 0.00 0.00 179.45 176.58 1ckk n MET 76 N -2.97 2.47 -3.26 1.90 1.56 -1.26 -4.10 117.12 111.46 1ckk n MET 76 Ca 0.02 -2.69 -0.25 0.00 -0.27 0.00 0.00 57.70 54.51 1ckk n MET 76 Cb 0.57 -2.14 -0.07 0.00 2.15 0.00 0.00 33.22 33.73 1ckk n MET 76 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1ckk n LYS 77 N 0.26 1.08 -2.24 2.12 5.02 -1.25 -4.87 118.16 118.28 1ckk n LYS 77 Ca 0.50 -3.54 -0.17 0.00 -2.02 0.00 0.00 58.31 53.08 1ckk n LYS 77 Cb 0.47 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.99 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 1.38 -4.97 -3.54 4.39 2.03 -1.26 -4.94 116.55 109.64 1ckk n ASP 78 Ca 0.23 0.03 -0.27 0.00 0.52 0.00 0.00 54.79 55.30 1ckk n ASP 78 Cb 0.50 -4.06 -0.10 0.00 -0.72 0.00 0.00 41.12 36.74 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 -3.86 -0.04 -2.91 5.18 -2.24 -1.26 -4.85 114.28 104.31 1ckk n THR 79 Ca -0.20 -4.05 -0.14 0.00 -2.27 0.00 0.00 64.05 57.39 1ckk n THR 79 Cb 0.64 -1.88 0.03 0.00 -2.10 0.00 0.00 70.33 67.03 1ckk n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ckk n ASP 80 N 2.30 -4.55 -0.03 3.42 -0.08 -1.26 -4.73 116.55 111.63 1ckk n ASP 80 Ca 0.26 -0.24 -0.01 0.00 -1.51 0.00 0.00 54.79 53.29 1ckk n ASP 80 Cb 0.44 -3.31 -0.00 0.00 2.34 0.00 0.00 41.12 40.59 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 1ckk h SER 81 N -1.19 0.00 -0.31 1.67 0.87 -1.89 -2.59 113.55 110.10 1ckk h SER 81 Ca -0.34 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.12 1ckk h SER 81 Cb 1.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 1ckk h SER 81 CO 0.35 0.28 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.46 1ckk h GLU 82 N -0.48 0.76 0.00 2.24 5.08 -1.96 -2.27 114.58 117.94 1ckk h GLU 82 Ca 0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1ckk h GLU 82 Cb 0.09 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ckk h GLU 82 CO 0.00 0.86 -0.33 1.49 -1.00 0.00 0.00 179.01 180.03 1ckk h GLU 83 N 0.68 0.00 0.00 2.33 4.57 -1.97 -2.08 114.58 118.11 1ckk h GLU 83 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1ckk h GLU 83 Cb 0.62 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1ckk h GLU 83 CO 0.04 0.33 -0.06 1.49 -1.18 0.00 0.00 179.01 179.64 1ckk h GLU 84 N 0.00 0.00 -0.27 1.92 4.81 -0.99 -1.09 114.58 118.97 1ckk h GLU 84 Ca -0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1ckk h GLU 84 Cb 0.61 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1ckk h GLU 84 CO 0.04 0.06 -0.41 0.82 -0.73 0.00 0.00 179.01 178.79 1ckk h ILE 85 N 0.00 1.29 -0.72 2.32 2.04 -1.37 -2.47 117.51 118.61 1ckk h ILE 85 Ca -0.00 -1.58 0.03 0.00 1.00 0.00 0.00 64.86 64.31 1ckk h ILE 85 Cb 0.13 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1ckk h ILE 85 CO 0.01 0.50 0.47 -0.09 0.00 0.00 0.00 178.15 179.05 1ckk h ARG 86 N 0.53 0.87 0.27 2.37 2.43 -1.26 -1.08 114.38 118.52 1ckk h ARG 86 Ca 0.04 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ckk h ARG 86 Cb 0.93 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1ckk h ARG 86 CO 0.08 0.58 -0.13 0.93 -1.51 0.00 0.00 179.97 179.92 1ckk h GLU 87 N 0.90 -0.36 -0.88 0.20 4.39 -1.34 -1.69 114.58 115.81 1ckk h GLU 87 Ca 0.28 0.02 0.24 0.00 0.34 0.00 0.00 59.36 60.24 1ckk h GLU 87 Cb 0.00 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1ckk h GLU 87 CO -0.07 -0.03 0.62 0.00 -1.16 0.00 0.00 179.01 178.37 1ckk h ALA 88 N -0.14 2.67 0.18 3.43 0.00 -1.07 -0.83 119.26 123.49 1ckk h ALA 88 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ckk h ALA 88 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ckk h ALA 88 CO 0.06 -0.93 -0.08 0.35 0.00 0.00 0.00 179.25 178.64 1ckk h PHE 89 N 0.10 -0.22 -1.20 0.00 3.57 -0.79 -2.83 116.94 115.57 1ckk h PHE 89 Ca 0.43 -0.01 0.36 0.00 3.53 0.00 0.00 57.97 62.29 1ckk h PHE 89 Cb 1.55 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 40.25 1ckk h PHE 89 CO -0.00 -0.14 0.78 -0.09 -2.23 0.00 0.00 178.31 176.63 1ckk h ARG 90 N -0.35 0.20 -0.12 1.11 2.43 -0.78 0.42 114.38 117.29 1ckk h ARG 90 Ca -0.02 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1ckk h ARG 90 Cb 0.18 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1ckk h ARG 90 CO 0.04 0.13 -0.06 0.28 -1.51 0.00 0.00 179.97 178.86 1ckk h VAL 91 N 0.21 0.81 -0.15 0.20 2.07 -1.11 -0.72 116.25 117.56 1ckk h VAL 91 Ca 0.71 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.22 1ckk h VAL 91 Cb 2.12 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1ckk h VAL 91 CO -0.35 0.00 0.05 -0.26 0.02 0.00 0.00 177.57 177.04 1ckk h PHE 92 N -0.05 0.20 -2.25 1.57 0.04 0.08 -3.04 116.94 113.50 1ckk h PHE 92 Ca 0.07 -0.00 -0.80 0.00 2.80 0.00 0.00 57.97 60.04 1ckk h PHE 92 Cb 0.15 -0.07 -0.25 0.00 2.20 0.00 0.00 35.95 37.98 1ckk h PHE 92 CO -0.19 0.18 1.15 -3.47 -0.60 0.00 0.00 178.31 175.38 1ckk n ASP 93 N -4.46 7.20 -0.46 2.17 2.03 -0.28 -4.52 116.55 118.23 1ckk n ASP 93 Ca -0.01 -3.57 0.38 0.00 0.52 0.00 0.00 54.79 52.11 1ckk n ASP 93 Cb 0.12 -1.22 0.67 0.00 -0.72 0.00 0.00 41.12 39.98 1ckk n ASP 93 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1ckk h LYS 94 N 4.52 0.10 0.06 -0.67 2.10 -1.48 0.70 116.57 121.91 1ckk h LYS 94 Ca 0.49 -0.01 -0.23 0.00 -2.00 0.00 0.00 60.65 58.90 1ckk h LYS 94 Cb 0.38 -0.02 0.02 0.00 -0.90 0.00 0.00 32.23 31.71 1ckk h LYS 94 CO 1.25 0.06 -0.96 0.38 -2.00 0.00 0.00 179.45 178.19 1ckk h ASP 95 N 0.10 0.74 -1.74 7.07 3.04 -1.87 -3.49 116.42 120.27 1ckk h ASP 95 Ca 0.78 -0.80 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1ckk h ASP 95 Cb 2.60 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 40.66 1ckk h ASP 95 CO -0.28 1.45 0.00 0.61 -2.04 0.00 0.00 179.24 178.98 1ckk n GLY 96 N 1.26 0.57 0.11 7.15 0.00 0.24 -5.01 105.19 109.51 1ckk n GLY 96 Ca -0.12 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.87 0.77 0.00 1.61 6.94 -1.26 -5.01 115.26 117.44 1ckk n ASN 97 Ca 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.51 1ckk n ASN 97 Cb 0.39 0.46 0.00 0.00 -2.36 0.00 0.00 39.78 38.27 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 1.95 1.50 3.52 4.83 0.00 -1.26 -5.14 105.19 110.58 1ckk n GLY 98 Ca -0.38 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.66 -0.01 1.61 2.02 -1.26 -4.66 117.35 112.89 1ckk s TYR 99 Ca 0.00 1.57 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 1ckk s TYR 99 Cb 0.00 0.24 -0.03 0.00 -0.40 0.00 0.00 41.96 41.77 1ckk s TYR 99 CO 0.00 -0.35 -0.04 0.42 -1.57 0.00 0.00 175.55 174.01 1ckk s ILE 100 N 0.14 3.87 0.03 2.71 1.01 0.80 -4.83 121.20 124.93 1ckk s ILE 100 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.97 1ckk s ILE 100 Cb -0.04 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.72 1ckk s ILE 100 CO 0.02 0.41 -0.03 -0.55 0.00 0.00 0.00 174.94 174.78 1ckk s SER 101 N -1.41 0.36 0.59 3.58 0.15 -1.26 -0.78 113.70 114.93 1ckk s SER 101 Ca 0.17 -0.62 0.34 0.00 0.70 0.00 0.00 55.95 56.55 1ckk s SER 101 Cb -0.11 0.12 1.30 0.00 -1.71 0.00 0.00 66.02 65.61 1ckk s SER 101 CO 0.08 -0.36 1.54 0.00 1.20 0.00 0.00 173.24 175.70 1ckk h ALA 102 N 4.29 3.06 -0.10 5.45 0.00 -1.92 0.77 119.26 130.81 1ckk h ALA 102 Ca -0.33 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1ckk h ALA 102 Cb 1.19 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ckk h ALA 102 CO 0.47 -1.69 -0.07 0.00 0.00 0.00 0.00 179.25 177.96 1ckk h ALA 103 N 0.92 0.14 -0.49 0.00 0.00 -1.98 0.19 119.26 118.05 1ckk h ALA 103 Ca 0.55 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1ckk h ALA 103 Cb 2.72 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.46 1ckk h ALA 103 CO -0.01 -0.06 0.17 0.93 0.00 0.00 0.00 179.25 180.28 1ckk h GLU 104 N -0.16 0.75 -0.25 0.00 5.08 0.25 -1.63 114.58 118.61 1ckk h GLU 104 Ca 0.02 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1ckk h GLU 104 Cb 0.54 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ckk h GLU 104 CO 0.02 0.70 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.39 1ckk h LEU 105 N 0.66 0.50 -1.45 1.33 3.38 -1.33 -1.96 115.31 116.44 1ckk h LEU 105 Ca 0.16 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ckk h LEU 105 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ckk h LEU 105 CO -0.01 0.76 -0.27 -0.09 0.09 0.00 0.00 178.44 178.92 1ckk h ARG 106 N 0.44 0.00 0.00 1.13 2.43 -0.19 0.18 114.38 118.37 1ckk h ARG 106 Ca 0.06 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1ckk h ARG 106 Cb 0.70 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1ckk h ARG 106 CO 0.05 0.27 -0.67 1.25 -1.51 0.00 0.00 179.97 179.37 1ckk h HIS 107 N 0.00 0.00 0.00 2.20 2.76 -0.77 -3.01 115.15 116.33 1ckk h HIS 107 Ca -0.00 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.89 1ckk h HIS 107 Cb 0.55 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.47 1ckk h HIS 107 CO 0.00 0.34 -1.73 1.55 -1.30 0.00 0.00 177.93 176.79 1ckk n VAL 108 N -3.05 1.49 0.08 5.26 3.14 -0.79 -3.30 118.33 121.18 1ckk n VAL 108 Ca -0.00 -0.78 -0.12 0.00 -2.96 0.00 0.00 64.34 60.48 1ckk n VAL 108 Cb 0.69 -0.91 -0.05 0.00 -1.06 0.00 0.00 33.84 32.51 1ckk n VAL 108 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckk h MET 109 N 0.00 0.29 0.00 1.45 -0.00 -0.75 -1.69 114.93 114.23 1ckk h MET 109 Ca -0.29 -0.35 -0.15 0.00 -0.00 0.00 0.00 59.70 58.91 1ckk h MET 109 Cb 1.95 0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 33.64 1ckk h MET 109 CO 0.07 1.07 -0.72 1.15 -0.00 0.00 0.00 176.91 178.48 1ckk h THR 110 N 0.15 1.38 0.00 -0.10 2.02 -1.63 -2.55 112.91 112.18 1ckk h THR 110 Ca -0.07 -2.58 -0.08 0.00 0.77 0.00 0.00 66.41 64.44 1ckk h THR 110 Cb 1.63 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 70.47 1ckk h THR 110 CO 0.16 0.71 -0.59 0.78 0.37 0.00 0.00 175.52 176.95 1ckk h ASN 111 N 0.00 0.00 0.97 4.18 4.21 -1.55 -3.28 115.58 120.11 1ckk h ASN 111 Ca -0.01 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.30 1ckk h ASN 111 Cb 1.39 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.56 1ckk h ASN 111 CO 0.09 0.35 -1.08 -0.07 -1.29 0.00 0.00 177.43 175.43 1ckk h LEU 112 N 0.00 0.00 0.00 1.61 3.38 -1.24 -3.39 115.31 115.67 1ckk h LEU 112 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ckk h LEU 112 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1ckk h LEU 112 CO 0.04 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1ckk n GLY 113 N 1.37 1.17 3.68 0.83 0.00 -0.99 -5.02 105.19 106.24 1ckk n GLY 113 Ca -0.04 -0.07 -0.32 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 2.77 -0.15 1.61 2.12 -1.05 -4.81 118.70 119.18 1ckk s GLU 114 Ca 0.00 -0.62 0.17 0.00 0.36 0.00 0.00 54.97 54.88 1ckk s GLU 114 Cb 0.00 -2.66 0.34 0.00 0.26 0.00 0.00 34.13 32.07 1ckk s GLU 114 CO 0.00 0.62 1.19 0.36 -0.54 0.00 0.00 175.26 176.89 1ckk n LYS 115 N 1.38 1.45 -0.33 4.30 2.85 -1.23 -3.83 118.16 122.74 1ckk n LYS 115 Ca -0.14 -2.76 0.05 0.00 -1.05 0.00 0.00 58.31 54.40 1ckk n LYS 115 Cb 0.53 -1.55 -0.01 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.32 0.00 0.00 -5.58 4.32 -1.26 -4.80 117.00 108.36 1ckk n LEU 116 Ca 0.17 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.52 1ckk n LEU 116 Cb 0.67 -1.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.25 1ckk n LEU 116 CO 0.01 -0.84 0.00 0.41 -1.22 0.00 0.00 177.39 175.76 1ckk n THR 117 N -1.43 0.00 0.01 -5.08 -1.04 -1.26 -4.99 114.28 100.48 1ckk n THR 117 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ckk n THR 117 Cb 0.15 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 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 0.11 -0.26 8.00 9.92 -1.26 -4.42 116.55 128.63 1ckk n ASP 118 Ca 0.00 0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.26 1ckk n ASP 118 Cb 0.00 -0.03 0.17 0.00 -0.64 0.00 0.00 41.12 40.63 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ckk h GLU 119 N 0.00 1.10 0.24 -1.24 4.39 -2.00 -2.35 114.58 114.72 1ckk h GLU 119 Ca 0.00 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1ckk h GLU 119 Cb 0.85 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1ckk h GLU 119 CO 0.00 0.78 -0.12 1.49 -1.16 0.00 0.00 179.01 180.00 1ckk h GLU 120 N 1.11 -0.31 -0.92 2.33 4.57 -1.98 -1.48 114.58 117.89 1ckk h GLU 120 Ca 0.29 0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.73 1ckk h GLU 120 Cb -0.03 0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 28.50 1ckk h GLU 120 CO -0.05 -0.08 0.42 0.28 -1.18 0.00 0.00 179.01 178.40 1ckk h VAL 121 N -0.50 0.43 0.46 0.32 2.07 -1.69 0.18 116.25 117.52 1ckk h VAL 121 Ca -0.03 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1ckk h VAL 121 Cb 0.38 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ckk h VAL 121 CO 0.05 0.07 -0.22 0.44 0.02 0.00 0.00 177.57 177.93 1ckk h ASP 122 N 0.38 -0.52 -0.57 0.57 5.19 -1.07 -2.56 116.42 117.84 1ckk h ASP 122 Ca 0.60 0.02 0.17 0.00 -0.62 0.00 0.00 57.03 57.19 1ckk h ASP 122 Cb 1.18 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.80 1ckk h ASP 122 CO -0.55 -0.29 0.72 -0.33 -3.12 0.00 0.00 179.24 175.67 1ckk h GLU 123 N -0.80 0.00 -0.22 3.56 5.08 -0.58 0.46 114.58 122.08 1ckk h GLU 123 Ca -0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1ckk h GLU 123 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ckk h GLU 123 CO 0.10 0.00 -0.25 1.98 -1.00 0.00 0.00 179.01 179.85 1ckk h MET 124 N 0.00 0.55 0.00 2.33 4.05 -0.31 -2.29 114.93 119.27 1ckk h MET 124 Ca 0.27 -0.30 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 1ckk h MET 124 Cb 1.71 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.51 1ckk h MET 124 CO -0.00 0.90 -0.50 0.82 0.23 0.00 0.00 176.91 178.35 1ckk h ILE 125 N 0.24 0.90 0.01 1.77 1.08 0.21 -3.16 117.51 118.56 1ckk h ILE 125 Ca 0.03 -2.15 -0.00 0.00 -0.39 0.00 0.00 64.86 62.35 1ckk h ILE 125 Cb 0.81 2.36 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 1ckk h ILE 125 CO 0.06 0.49 -0.00 -0.09 -0.69 0.00 0.00 178.15 177.92 1ckk h ARG 126 N 0.00 -0.01 -0.67 2.37 1.12 -0.95 -1.29 114.38 114.95 1ckk h ARG 126 Ca -0.01 0.00 0.19 0.00 -1.11 0.00 0.00 59.98 59.06 1ckk h ARG 126 Cb 1.32 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.25 1ckk h ARG 126 CO 0.07 -0.01 0.77 0.93 -3.11 0.00 0.00 179.97 178.62 1ckk h GLU 127 N -0.02 0.00 0.00 0.20 4.39 -1.58 0.46 114.58 118.03 1ckk h GLU 127 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ckk h GLU 127 Cb 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1ckk h GLU 127 CO 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1ckk h ALA 128 N 1.09 -0.00 -0.07 3.43 0.00 -1.55 -3.43 119.26 118.73 1ckk h ALA 128 Ca 0.32 -0.46 -0.37 0.00 0.00 0.00 0.00 54.91 54.40 1ckk h ALA 128 Cb 1.86 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.55 1ckk h ALA 128 CO -0.00 -0.04 1.82 -3.47 0.00 0.00 0.00 179.25 177.55 1ckk n ASP 129 N -4.65 -0.70 -0.03 0.00 -0.08 0.15 -4.71 116.55 106.54 1ckk n ASP 129 Ca -0.10 -0.43 -0.15 0.00 -1.51 0.00 0.00 54.79 52.60 1ckk n ASP 129 Cb 0.44 -0.74 -0.11 0.00 2.34 0.00 0.00 41.12 43.05 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 7.32 1.53 0.00 5.18 5.03 -1.84 -3.22 117.51 131.51 1ckk h ILE 130 Ca 0.01 -1.90 0.00 0.00 -0.12 0.00 0.00 64.86 62.84 1ckk h ILE 130 Cb 1.17 2.70 0.00 0.00 -3.03 0.00 0.00 36.82 37.66 1ckk h ILE 130 CO 1.51 0.52 0.00 -2.24 -0.68 0.00 0.00 178.15 177.26 1ckk h ASP 131 N -0.46 0.00 -3.09 1.72 2.03 -1.95 -3.47 116.42 111.19 1ckk h ASP 131 Ca -0.03 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.23 1ckk h ASP 131 Cb 0.99 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.52 1ckk h ASP 131 CO 0.05 0.00 -0.13 0.61 -1.03 0.00 0.00 179.24 178.74 1ckk n GLY 132 N 0.85 0.50 0.09 7.15 0.00 -1.22 -4.98 105.19 107.58 1ckk n GLY 132 Ca 0.04 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.61 0.85 0.00 1.61 5.68 -1.26 -4.97 116.55 116.85 1ckk n ASP 133 Ca -0.02 -0.93 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 1ckk n ASP 133 Cb 0.52 0.85 0.00 0.00 -1.14 0.00 0.00 41.12 41.35 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 1.23 0.68 3.57 6.12 0.00 -1.26 -5.03 105.19 110.50 1ckk n GLY 134 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.92 0.62 -0.16 1.61 -2.07 -1.26 -4.81 119.66 112.67 1ckk s GLN 135 Ca 0.00 0.12 -0.21 0.00 -1.82 0.00 0.00 55.36 53.46 1ckk s GLN 135 Cb 0.00 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1ckk s GLN 135 CO 0.00 -0.20 0.61 0.08 -1.32 0.00 0.00 175.29 174.46 1ckk s VAL 136 N -1.23 5.06 0.27 3.63 1.01 0.04 -4.70 120.40 124.48 1ckk s VAL 136 Ca -0.02 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1ckk s VAL 136 Cb -0.00 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1ckk s VAL 136 CO 0.01 0.17 0.37 -3.20 0.00 0.00 0.00 175.10 172.46 1ckk n ASN 137 N 4.59 0.57 0.16 3.32 5.15 -1.26 -0.14 115.26 127.64 1ckk n ASN 137 Ca -0.03 -1.46 -0.11 0.00 -0.60 0.00 0.00 54.58 52.38 1ckk n ASN 137 Cb 0.50 -0.23 -0.07 0.00 -0.53 0.00 0.00 39.78 39.45 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 -0.38 -0.42 -0.19 1.20 3.20 -1.98 -1.79 116.97 116.62 1ckk h TYR 138 Ca -0.12 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.78 1ckk h TYR 138 Cb 0.47 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 1ckk h TYR 138 CO 0.00 -0.09 -0.49 0.93 -1.64 0.00 0.00 178.16 176.87 1ckk h GLU 139 N -0.95 -0.49 -0.67 1.82 3.07 -1.98 -0.15 114.58 115.23 1ckk h GLU 139 Ca -0.05 0.03 0.12 0.00 -0.50 0.00 0.00 59.36 58.97 1ckk h GLU 139 Cb 0.52 0.11 -0.09 0.00 -0.84 0.00 0.00 28.75 28.45 1ckk h GLU 139 CO 0.08 -0.32 0.23 0.93 -1.40 0.00 0.00 179.01 178.52 1ckk h GLU 140 N -0.50 0.37 -0.14 2.33 5.08 -1.96 1.14 114.58 120.88 1ckk h GLU 140 Ca 0.07 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1ckk h GLU 140 Cb 0.65 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ckk h GLU 140 CO -0.46 0.24 0.14 0.35 -1.00 0.00 0.00 179.01 178.29 1ckk h PHE 141 N 0.38 0.00 0.05 4.33 3.57 -0.17 -1.98 116.94 123.12 1ckk h PHE 141 Ca 0.36 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 61.48 1ckk h PHE 141 Cb 0.52 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1ckk h PHE 141 CO -0.19 0.00 -2.30 0.28 -2.23 0.00 0.00 178.31 173.87 1ckk n VAL 142 N -3.99 1.60 -0.14 1.41 0.31 0.13 -3.96 118.33 113.68 1ckk n VAL 142 Ca 0.01 -0.61 -0.04 0.00 -0.01 0.00 0.00 64.34 63.68 1ckk n VAL 142 Cb 0.26 -1.52 0.04 0.00 -0.91 0.00 0.00 33.84 31.71 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 0.03 0.33 0.00 5.55 5.75 0.14 0.97 115.11 127.88 1ckk h GLN 143 Ca -0.52 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 57.93 1ckk h GLN 143 Cb 1.96 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 30.43 1ckk h GLN 143 CO -0.02 0.22 -0.13 0.52 -2.65 0.00 0.00 178.83 176.77 1ckk h MET 144 N 0.34 0.00 0.06 1.69 2.86 -1.57 -2.86 114.93 115.45 1ckk h MET 144 Ca 0.21 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.52 1ckk h MET 144 Cb 0.20 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 1ckk h MET 144 CO -0.21 0.13 -1.84 -1.33 1.06 0.00 0.00 176.91 174.72 1ckk n MET 145 N -4.01 0.69 -3.06 1.72 2.81 -0.18 -4.89 117.12 110.20 1ckk n MET 145 Ca -0.02 0.28 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 1ckk n MET 145 Cb 0.22 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 1ckk n MET 145 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1ckk s THR 146 N -2.58 -0.47 -0.53 2.03 -1.32 0.32 -5.03 115.64 108.07 1ckk s THR 146 Ca -0.13 0.00 -0.06 0.00 -1.21 0.00 0.00 61.69 60.29 1ckk s THR 146 Cb 0.07 -0.28 -0.16 0.00 -1.51 0.00 0.00 72.50 70.62 1ckk s THR 146 CO 0.80 0.00 2.87 0.00 -2.21 0.00 0.00 174.62 176.08 1ckk n ALA 147 N 4.70 5.77 0.39 11.08 0.00 -1.12 -4.43 120.51 136.90 1ckk n ALA 147 Ca 0.08 -2.04 0.05 0.00 0.00 0.00 0.00 53.44 51.53 1ckk n ALA 147 Cb 0.58 -2.67 0.04 0.00 0.00 0.00 0.00 19.45 17.40 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13