#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 3.20 -4.36 0.00 9.92 -1.26 -4.96 116.55 119.10 1ckk n ASP 2 Ca 0.00 -0.03 -0.53 0.00 -0.53 0.00 0.00 54.79 53.69 1ckk n ASP 2 Cb 0.00 -0.14 -0.11 0.00 -0.64 0.00 0.00 41.12 40.23 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckk n GLN 3 N -2.78 0.26 -3.98 -1.24 1.13 -1.26 -4.88 117.38 104.63 1ckk n GLN 3 Ca -0.15 0.06 -0.35 0.00 -1.94 0.00 0.00 57.00 54.62 1ckk n GLN 3 Cb 0.65 -1.77 -0.09 0.00 0.11 0.00 0.00 30.24 29.15 1ckk n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1ckk s LEU 4 N 7.17 3.96 -0.04 1.08 1.43 -1.26 -4.81 118.68 126.21 1ckk s LEU 4 Ca 1.21 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.47 1ckk s LEU 4 Cb -1.27 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 42.98 1ckk s LEU 4 CO 0.57 0.25 0.05 0.35 0.23 0.00 0.00 176.35 177.80 1ckk n THR 5 N 3.06 -3.75 0.11 5.49 -2.24 -1.26 -4.79 114.28 110.90 1ckk n THR 5 Ca -0.17 0.65 -0.23 0.00 -2.27 0.00 0.00 64.05 62.02 1ckk n THR 5 Cb 0.53 -3.46 -0.15 0.00 -2.10 0.00 0.00 70.33 65.15 1ckk n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ckk h GLU 6 N 4.75 0.46 0.58 -0.78 5.08 -2.01 -3.22 114.58 119.44 1ckk h GLU 6 Ca -0.12 -0.78 -0.02 0.00 -1.00 0.00 0.00 59.36 57.44 1ckk h GLU 6 Cb 0.34 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ckk h GLU 6 CO 0.00 1.37 -0.40 1.49 -1.00 0.00 0.00 179.01 180.48 1ckk h GLU 7 N 0.13 -0.90 -0.74 2.33 4.57 -2.01 -2.42 114.58 115.53 1ckk h GLU 7 Ca -0.29 0.06 0.16 0.00 -1.18 0.00 0.00 59.36 58.11 1ckk h GLU 7 Cb 2.13 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 30.82 1ckk h GLU 7 CO 0.23 -0.60 0.20 1.96 -1.18 0.00 0.00 179.01 179.62 1ckk h GLN 8 N -0.93 0.29 -0.59 1.92 4.20 -1.93 0.58 115.11 118.64 1ckk h GLN 8 Ca -0.07 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.75 1ckk h GLN 8 Cb 0.77 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 28.39 1ckk h GLN 8 CO 0.04 0.19 -0.01 0.82 -0.67 0.00 0.00 178.83 179.20 1ckk h ILE 9 N 0.29 0.52 -0.45 2.54 2.04 -1.45 0.35 117.51 121.36 1ckk h ILE 9 Ca 0.42 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.33 1ckk h ILE 9 Cb 0.71 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1ckk h ILE 9 CO -0.50 0.02 -0.00 0.00 0.00 0.00 0.00 178.15 177.67 1ckk h ALA 10 N 1.53 0.41 -0.07 1.87 0.00 -0.46 0.31 119.26 122.85 1ckk h ALA 10 Ca 0.30 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.38 1ckk h ALA 10 Cb 0.48 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 1ckk h ALA 10 CO -0.50 -0.39 -0.16 1.49 0.00 0.00 0.00 179.25 179.68 1ckk h GLU 11 N 0.11 -0.22 -0.53 0.00 4.81 -0.72 -0.85 114.58 117.18 1ckk h GLU 11 Ca 0.22 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1ckk h GLU 11 Cb 0.32 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 1ckk h GLU 11 CO -0.37 -0.15 0.29 0.74 -0.73 0.00 0.00 179.01 178.79 1ckk h PHE 12 N -0.23 0.53 -0.76 0.92 0.04 -0.28 0.08 116.94 117.25 1ckk h PHE 12 Ca 0.08 0.02 0.16 0.00 2.80 0.00 0.00 57.97 61.03 1ckk h PHE 12 Cb 0.34 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 1ckk h PHE 12 CO -0.25 0.28 0.51 -0.22 -0.60 0.00 0.00 178.31 178.03 1ckk h LYS 13 N 0.56 0.34 -0.17 1.51 3.64 0.43 -0.12 116.57 122.76 1ckk h LYS 13 Ca 0.22 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1ckk h LYS 13 Cb 0.10 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ckk h LYS 13 CO -0.14 0.22 0.06 1.49 -2.27 0.00 0.00 179.45 178.82 1ckk h GLU 14 N 0.35 0.26 -0.48 1.90 4.57 0.39 0.16 114.58 121.73 1ckk h GLU 14 Ca 0.37 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.48 1ckk h GLU 14 Cb 0.95 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1ckk h GLU 14 CO -0.11 0.36 0.23 0.00 -1.18 0.00 0.00 179.01 178.31 1ckk h ALA 15 N 0.89 0.63 -0.43 2.92 0.00 -0.77 0.21 119.26 122.70 1ckk h ALA 15 Ca 0.06 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ckk h ALA 15 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ckk h ALA 15 CO -0.00 0.19 0.07 0.35 0.00 0.00 0.00 179.25 179.86 1ckk h PHE 16 N 0.64 0.68 0.00 0.00 3.57 -1.02 -1.65 116.94 119.17 1ckk h PHE 16 Ca 0.17 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1ckk h PHE 16 Cb 0.13 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1ckk h PHE 16 CO -0.01 0.61 -0.06 0.77 -2.23 0.00 0.00 178.31 177.40 1ckk h SER 17 N 0.64 0.00 -0.12 0.41 0.02 -0.09 -2.98 113.55 111.42 1ckk h SER 17 Ca 0.14 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1ckk h SER 17 Cb 0.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1ckk h SER 17 CO 0.00 0.06 -0.11 0.25 -1.14 0.00 0.00 176.83 175.89 1ckk h LEU 18 N 0.00 0.31 0.50 5.07 6.46 0.39 -3.33 115.31 124.70 1ckk h LEU 18 Ca -0.00 -0.47 -0.02 0.00 -0.12 0.00 0.00 57.88 57.27 1ckk h LEU 18 Cb 0.95 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1ckk h LEU 18 CO 0.01 0.71 -0.24 -0.26 -0.62 0.00 0.00 178.44 178.04 1ckk h PHE 19 N -0.09 -0.62 -0.19 1.25 0.04 -1.55 -3.40 116.94 112.38 1ckk h PHE 19 Ca 0.02 -0.01 -0.26 0.00 2.80 0.00 0.00 57.97 60.52 1ckk h PHE 19 Cb 0.62 0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.90 1ckk h PHE 19 CO 0.08 -0.35 1.34 -0.25 -0.60 0.00 0.00 178.31 178.53 1ckk n ASP 20 N -5.22 -0.07 0.14 2.17 8.00 -1.13 -4.68 116.55 115.76 1ckk n ASP 20 Ca -0.09 -0.79 0.01 0.00 0.71 0.00 0.00 54.79 54.63 1ckk n ASP 20 Cb 0.28 -0.98 0.09 0.00 -0.02 0.00 0.00 41.12 40.48 1ckk n ASP 20 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1ckk h LYS 21 N 12.08 0.00 0.00 -1.24 1.79 -1.83 -3.26 116.57 124.10 1ckk h LYS 21 Ca 0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1ckk h LYS 21 Cb 1.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1ckk h LYS 21 CO 1.38 0.57 -1.81 -0.40 -1.08 0.00 0.00 179.45 178.12 1ckk n ASP 22 N -3.36 0.19 -1.45 0.86 5.75 -1.26 -5.04 116.55 112.24 1ckk n ASP 22 Ca 0.01 0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.86 1ckk n ASP 22 Cb 0.71 1.58 0.00 0.00 -1.03 0.00 0.00 41.12 42.38 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 23 N 1.28 -0.60 0.00 6.12 0.00 -1.23 -5.02 105.19 105.73 1ckk n GLY 23 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1ckk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 24 N -0.54 0.06 -2.27 1.61 5.75 -1.26 -5.00 116.55 114.90 1ckk n ASP 24 Ca 0.00 -1.03 -0.16 0.00 -0.01 0.00 0.00 54.79 53.59 1ckk n ASP 24 Cb 0.06 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.01 -0.21 3.53 6.12 0.00 -1.26 -4.98 105.19 108.37 1ckk n GLY 25 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.00 -0.81 0.06 2.61 -4.23 -1.24 -4.33 115.64 104.69 1ckk s THR 26 Ca 0.22 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.46 1ckk s THR 26 Cb -0.10 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.69 1ckk s THR 26 CO 0.27 0.00 0.83 -0.63 -0.54 0.00 0.00 174.62 174.55 1ckk s ILE 27 N 2.74 4.67 0.62 2.99 1.01 0.62 -4.78 121.20 129.07 1ckk s ILE 27 Ca -0.03 1.78 0.08 0.00 0.00 0.00 0.00 60.65 62.48 1ckk s ILE 27 Cb -0.10 -4.18 0.11 0.00 0.01 0.00 0.00 42.46 38.29 1ckk s ILE 27 CO -0.18 0.34 0.86 0.42 0.00 0.00 0.00 174.94 176.38 1ckk s THR 28 N -0.00 2.00 -0.03 2.92 -4.23 -1.26 -2.53 115.64 112.51 1ckk s THR 28 Ca 0.41 -0.94 -0.23 0.00 -1.18 0.00 0.00 61.69 59.75 1ckk s THR 28 Cb -0.21 -2.06 -0.17 0.00 1.34 0.00 0.00 72.50 71.39 1ckk s THR 28 CO 0.25 0.00 1.05 0.71 -0.54 0.00 0.00 174.62 176.09 1ckk h THR 29 N -0.01 0.97 -0.11 3.99 1.35 -1.93 -3.18 112.91 113.98 1ckk h THR 29 Ca -0.29 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1ckk h THR 29 Cb 1.29 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1ckk h THR 29 CO 0.39 0.22 0.06 0.50 -0.25 0.00 0.00 175.52 176.45 1ckk h LYS 30 N -0.75 0.15 -0.02 4.72 1.63 -1.96 -2.39 116.57 117.96 1ckk h LYS 30 Ca -0.02 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ckk h LYS 30 Cb 0.52 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1ckk h LYS 30 CO 0.03 0.17 -0.01 0.93 -3.45 0.00 0.00 179.45 177.12 1ckk h GLU 31 N 0.09 -0.00 -1.04 1.90 5.08 -1.93 1.29 114.58 119.98 1ckk h GLU 31 Ca 0.04 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.68 1ckk h GLU 31 Cb 0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1ckk h GLU 31 CO -0.01 -0.00 0.72 1.25 -1.00 0.00 0.00 179.01 179.97 1ckk h LEU 32 N -0.00 0.18 -0.65 1.33 5.85 -1.57 0.83 115.31 121.26 1ckk h LEU 32 Ca 0.00 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 1ckk h LEU 32 Cb 0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ckk h LEU 32 CO -0.02 0.04 0.02 1.23 -0.34 0.00 0.00 178.44 179.37 1ckk h GLY 33 N 0.16 1.15 0.48 3.75 0.00 0.18 -1.91 103.07 106.88 1ckk h GLY 33 Ca 0.53 -0.83 0.09 0.00 0.00 0.00 0.00 47.33 47.12 1ckk h GLY 33 CO -0.11 0.76 0.32 -0.84 0.00 0.00 0.00 176.54 176.67 1ckk h THR 34 N 0.98 0.84 -0.39 4.70 2.02 0.72 0.42 112.91 122.20 1ckk h THR 34 Ca 0.18 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1ckk h THR 34 Cb 0.54 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1ckk h THR 34 CO 0.03 0.10 0.11 0.58 0.37 0.00 0.00 175.52 176.71 1ckk h VAL 35 N 0.55 1.22 -0.42 3.16 2.07 -1.20 -2.39 116.25 119.24 1ckk h VAL 35 Ca 0.33 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1ckk h VAL 35 Cb 0.34 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1ckk h VAL 35 CO -0.27 0.26 0.15 0.24 0.02 0.00 0.00 177.57 177.97 1ckk h MET 36 N 0.48 0.61 -0.35 1.57 2.86 -0.42 -1.42 114.93 118.26 1ckk h MET 36 Ca 0.12 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1ckk h MET 36 Cb 0.28 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1ckk h MET 36 CO -0.00 0.52 0.07 0.00 1.06 0.00 0.00 176.91 178.56 1ckk h ARG 37 N 0.60 0.52 0.00 1.72 2.47 0.26 -1.99 114.38 117.97 1ckk h ARG 37 Ca 0.15 -0.09 -0.12 0.00 -1.26 0.00 0.00 59.98 58.66 1ckk h ARG 37 Cb 0.16 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1ckk h ARG 37 CO -0.01 0.50 -0.56 1.03 0.56 0.00 0.00 179.97 181.49 1ckk h SER 38 N 0.51 0.00 0.27 7.04 0.87 -0.83 -3.18 113.55 118.23 1ckk h SER 38 Ca 0.12 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 1ckk h SER 38 Cb 0.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1ckk h SER 38 CO -0.00 0.56 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.32 1ckk h LEU 39 N 0.00 0.25 0.00 2.23 3.38 -0.67 -3.46 115.31 117.03 1ckk h LEU 39 Ca -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ckk h LEU 39 Cb 1.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ckk h LEU 39 CO 0.07 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1ckk n GLY 40 N -0.06 3.21 2.55 0.83 0.00 -1.07 -5.07 105.19 105.59 1ckk n GLY 40 Ca -0.02 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.65 -3.47 1.61 6.02 -1.22 -4.95 117.38 114.71 1ckk n GLN 41 Ca 0.00 -1.45 -0.20 0.00 -0.01 0.00 0.00 57.00 55.34 1ckk n GLN 41 Cb 0.00 -0.81 -0.12 0.00 1.02 0.00 0.00 30.24 30.33 1ckk n GLN 41 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ckk s ASN 42 N -4.11 1.86 0.55 1.08 2.20 -1.26 -3.52 114.94 111.74 1ckk s ASN 42 Ca 0.49 -0.59 -0.18 0.00 -0.94 0.00 0.00 52.86 51.63 1ckk s ASN 42 Cb -0.02 0.28 -0.06 0.00 -2.00 0.00 0.00 41.25 39.46 1ckk s ASN 42 CO 0.34 -0.37 1.08 -2.16 -2.94 0.00 0.00 177.10 173.06 1ckk s PRO 43 N 2.29 3.42 0.54 3.55 0.04 -1.26 -5.06 135.00 138.52 1ckk s PRO 43 Ca 0.08 1.43 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1ckk s PRO 43 Cb -0.15 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1ckk s PRO 43 CO -0.23 -0.76 0.74 0.99 0.04 0.00 0.00 177.00 177.79 1ckk s THR 44 N -2.03 2.49 0.07 1.26 2.01 -1.26 -4.95 115.64 113.23 1ckk s THR 44 Ca 0.69 -0.91 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1ckk s THR 44 Cb -0.20 -2.58 -0.18 0.00 0.01 0.00 0.00 72.50 69.55 1ckk s THR 44 CO 0.28 0.00 1.25 -0.08 -0.69 0.00 0.00 174.62 175.38 1ckk h GLU 45 N 0.23 0.65 -0.09 4.92 4.22 -1.98 -1.86 114.58 120.67 1ckk h GLU 45 Ca -0.35 -0.55 -0.01 0.00 0.08 0.00 0.00 59.36 58.53 1ckk h GLU 45 Cb 1.28 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ckk h GLU 45 CO 0.43 1.17 0.03 0.00 -2.18 0.00 0.00 179.01 178.46 1ckk h ALA 46 N 0.49 0.12 -0.05 2.92 0.00 -2.00 -1.89 119.26 118.85 1ckk h ALA 46 Ca -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ckk h ALA 46 Cb 1.32 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ckk h ALA 46 CO 0.14 -0.27 0.01 0.93 0.00 0.00 0.00 179.25 180.06 1ckk h GLU 47 N -0.05 0.08 -0.40 0.00 4.39 -1.97 -2.55 114.58 114.06 1ckk h GLU 47 Ca 0.03 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.79 1ckk h GLU 47 Cb 0.22 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 1ckk h GLU 47 CO -0.00 0.27 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.98 1ckk h LEU 48 N -0.14 -0.32 -0.90 1.33 3.38 -1.32 0.22 115.31 117.57 1ckk h LEU 48 Ca 0.02 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1ckk h LEU 48 Cb 0.23 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1ckk h LEU 48 CO 0.00 -0.11 0.53 -0.61 0.09 0.00 0.00 178.44 178.34 1ckk h GLN 49 N 0.03 0.84 0.00 1.13 5.75 -1.25 0.31 115.11 121.92 1ckk h GLN 49 Ca 0.20 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.58 1ckk h GLN 49 Cb 0.30 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1ckk h GLN 49 CO -0.39 0.55 -0.30 0.22 -2.65 0.00 0.00 178.83 176.26 1ckk h ASP 50 N 0.86 0.00 -0.13 -0.69 3.58 -0.57 -0.99 116.42 118.48 1ckk h ASP 50 Ca 0.44 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.69 1ckk h ASP 50 Cb 0.43 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.49 1ckk h ASP 50 CO -0.26 0.30 -0.73 -0.03 -2.88 0.00 0.00 179.24 175.64 1ckk h MET 51 N 0.00 0.72 0.00 0.28 4.05 0.26 -3.19 114.93 117.05 1ckk h MET 51 Ca -0.00 -0.60 -0.15 0.00 -0.28 0.00 0.00 59.70 58.66 1ckk h MET 51 Cb 0.77 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 1ckk h MET 51 CO 0.04 1.21 -0.74 0.82 0.23 0.00 0.00 176.91 178.48 1ckk h ILE 52 N 0.43 1.38 0.00 1.77 5.03 -0.93 -3.06 117.51 122.12 1ckk h ILE 52 Ca -0.05 -2.65 0.00 0.00 -0.12 0.00 0.00 64.86 62.03 1ckk h ILE 52 Cb 1.37 2.49 0.00 0.00 -3.03 0.00 0.00 36.82 37.65 1ckk h ILE 52 CO 0.15 0.72 0.01 -3.20 -0.68 0.00 0.00 178.15 175.15 1ckk n ASN 53 N -3.45 0.48 -0.08 1.72 2.85 -0.39 -1.80 115.26 114.59 1ckk n ASN 53 Ca 0.00 0.72 -0.19 0.00 -0.11 0.00 0.00 54.58 55.00 1ckk n ASN 53 Cb 0.77 -0.78 -0.12 0.00 1.24 0.00 0.00 39.78 40.89 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1ckk h GLU 54 N 0.00 0.03 -0.11 1.20 4.57 -1.61 -3.38 114.58 115.28 1ckk h GLU 54 Ca 0.00 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1ckk h GLU 54 Cb 0.02 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1ckk h GLU 54 CO 0.00 1.02 -0.08 0.28 -1.18 0.00 0.00 179.01 179.06 1ckk h VAL 55 N -0.92 1.34 -0.09 0.32 2.07 -1.61 -3.40 116.25 113.95 1ckk h VAL 55 Ca -0.22 -1.17 -0.23 0.00 0.82 0.00 0.00 66.70 65.90 1ckk h VAL 55 Cb 1.25 1.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.82 1ckk h VAL 55 CO -0.10 0.33 1.37 -0.67 0.02 0.00 0.00 177.57 178.52 1ckk n ASP 56 N -4.67 -0.56 -0.08 0.57 2.03 -0.75 -4.62 116.55 108.47 1ckk n ASP 56 Ca -0.07 -0.91 0.11 0.00 0.52 0.00 0.00 54.79 54.44 1ckk n ASP 56 Cb 0.30 -0.87 -0.02 0.00 -0.72 0.00 0.00 41.12 39.81 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckk n ALA 57 N 9.39 4.34 -0.10 -1.67 0.00 -1.26 -4.37 120.51 126.83 1ckk n ALA 57 Ca 0.57 -0.56 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 1ckk n ALA 57 Cb 0.25 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 1ckk n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ckk n ASP 58 N -1.26 0.67 0.00 0.00 5.68 -1.26 -5.03 116.55 115.35 1ckk n ASP 58 Ca 0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 1ckk n ASP 58 Cb 0.35 0.61 0.00 0.00 -1.14 0.00 0.00 41.12 40.95 1ckk n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ckk n GLY 59 N 1.93 0.76 0.01 6.12 0.00 -1.26 -5.03 105.19 107.72 1ckk n GLY 59 Ca -0.35 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1ckk n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ckk n ASN 60 N 0.00 0.03 0.00 1.61 5.03 -1.26 -4.96 115.26 115.70 1ckk n ASN 60 Ca 0.00 -0.02 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1ckk n ASN 60 Cb 0.00 1.98 0.00 0.00 -1.02 0.00 0.00 39.78 40.74 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ckk n GLY 61 N 1.27 1.32 3.40 7.41 0.00 -1.26 -5.01 105.19 112.32 1ckk n GLY 61 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1ckk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 62 N -2.32 0.00 -0.18 2.61 -4.23 -1.26 -4.93 115.64 105.33 1ckk s THR 62 Ca 0.00 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 58.61 1ckk s THR 62 Cb 0.00 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1ckk s THR 62 CO 0.00 0.00 0.59 -0.63 -0.54 0.00 0.00 174.62 174.04 1ckk s ILE 63 N -4.08 5.06 0.49 2.99 -1.09 -1.05 -4.78 121.20 118.74 1ckk s ILE 63 Ca 0.31 1.12 0.04 0.00 -2.23 0.00 0.00 60.65 59.89 1ckk s ILE 63 Cb 0.03 -3.91 0.09 0.00 -1.58 0.00 0.00 42.46 37.09 1ckk s ILE 63 CO 0.11 0.16 0.67 0.47 -1.23 0.00 0.00 174.94 175.12 1ckk n ASP 64 N 4.73 1.39 -0.03 3.58 9.92 -1.26 -0.27 116.55 134.61 1ckk n ASP 64 Ca -0.03 -2.06 -0.13 0.00 -0.53 0.00 0.00 54.79 52.04 1ckk n ASP 64 Cb 0.50 -0.39 -0.08 0.00 -0.64 0.00 0.00 41.12 40.51 1ckk n ASP 64 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1ckk h PHE 65 N -0.17 0.19 -0.13 1.24 3.57 -1.98 -2.63 116.94 117.02 1ckk h PHE 65 Ca -0.23 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.13 1ckk h PHE 65 Cb 0.95 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1ckk h PHE 65 CO 0.00 0.54 -0.33 -1.00 -2.23 0.00 0.00 178.31 175.29 1ckk h PRO 66 N -0.22 0.27 -0.53 6.41 0.13 -1.96 -2.47 132.00 133.63 1ckk h PRO 66 Ca 0.02 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1ckk h PRO 66 Cb 0.49 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1ckk h PRO 66 CO 0.01 0.57 0.15 0.93 -0.23 0.00 0.00 178.00 179.43 1ckk h GLU 67 N 0.23 0.80 0.65 0.86 5.08 -1.93 -0.29 114.58 119.98 1ckk h GLU 67 Ca 0.03 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1ckk h GLU 67 Cb 0.70 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ckk h GLU 67 CO 0.05 0.70 -0.31 0.35 -1.00 0.00 0.00 179.01 178.80 1ckk h PHE 68 N 0.78 -0.81 -0.24 4.33 3.04 -1.06 0.59 116.94 123.56 1ckk h PHE 68 Ca 0.18 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.16 1ckk h PHE 68 Cb 0.25 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 1ckk h PHE 68 CO 0.01 -0.47 0.17 -0.07 -2.02 0.00 0.00 178.31 175.94 1ckk h LEU 69 N -1.10 0.06 0.00 0.59 4.07 -1.41 -0.22 115.31 117.30 1ckk h LEU 69 Ca -0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.82 1ckk h LEU 69 Cb 0.71 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1ckk h LEU 69 CO 0.15 0.04 -0.59 0.74 -1.08 0.00 0.00 178.44 177.69 1ckk h THR 70 N 0.07 0.26 -0.17 0.22 2.02 -0.83 -3.34 112.91 111.14 1ckk h THR 70 Ca 0.11 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 1ckk h THR 70 Cb 0.36 1.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1ckk h THR 70 CO -0.01 0.15 -0.15 -0.03 0.37 0.00 0.00 175.52 175.85 1ckk h MET 71 N 0.00 0.40 0.00 6.66 1.85 0.20 -1.87 114.93 122.18 1ckk h MET 71 Ca -0.02 -0.20 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 1ckk h MET 71 Cb 1.17 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.20 1ckk h MET 71 CO 0.02 0.76 0.10 0.52 -0.40 0.00 0.00 176.91 177.91 1ckk h MET 72 N 0.06 0.00 0.00 0.39 2.86 -1.61 0.15 114.93 116.78 1ckk h MET 72 Ca 0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1ckk h MET 72 Cb 0.67 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1ckk h MET 72 CO 0.04 0.00 -1.86 0.00 1.06 0.00 0.00 176.91 176.15 1ckk n ALA 73 N -1.72 2.62 0.02 6.32 0.00 -0.99 -3.23 120.51 123.53 1ckk n ALA 73 Ca -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 1ckk n ALA 73 Cb 0.13 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 1ckk n ALA 73 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ckk h ARG 74 N 0.00 0.00 0.00 0.00 1.12 -0.21 -3.38 114.38 111.91 1ckk h ARG 74 Ca -0.03 0.00 -0.38 0.00 -1.11 0.00 0.00 59.98 58.47 1ckk h ARG 74 Cb 0.91 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 30.80 1ckk h ARG 74 CO 0.00 0.36 -2.42 1.17 -3.11 0.00 0.00 179.97 175.97 1ckk n LYS 75 N -2.95 0.67 -2.54 0.20 3.00 -0.40 -4.55 118.16 111.59 1ckk n LYS 75 Ca -0.11 0.06 -0.41 0.00 -0.00 0.00 0.00 58.31 57.85 1ckk n LYS 75 Cb 0.90 -1.52 0.01 0.00 0.00 0.00 0.00 35.03 34.42 1ckk n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1ckk n MET 76 N -2.97 5.22 -0.10 1.64 1.56 -1.20 -4.58 117.12 116.69 1ckk n MET 76 Ca -0.38 -4.43 -0.18 0.00 -0.27 0.00 0.00 57.70 52.44 1ckk n MET 76 Cb 1.09 -2.51 -0.13 0.00 2.15 0.00 0.00 33.22 33.82 1ckk n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1ckk n LYS 77 N 0.39 0.67 0.00 2.12 4.81 -1.26 -4.77 118.16 120.13 1ckk n LYS 77 Ca 0.48 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1ckk n LYS 77 Cb 0.26 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1ckk n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ckk n ASP 78 N -3.26 0.00 0.00 3.14 -0.08 -1.26 -5.04 116.55 110.05 1ckk n ASP 78 Ca -0.42 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.86 1ckk n ASP 78 Cb 1.01 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.47 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ckk n THR 79 N 0.00 0.00 -3.59 5.18 -2.24 -1.26 -4.16 114.28 108.21 1ckk n THR 79 Ca 0.00 1.35 -0.40 0.00 -2.27 0.00 0.00 64.05 62.73 1ckk n THR 79 Cb 0.00 -1.93 -0.11 0.00 -2.10 0.00 0.00 70.33 66.19 1ckk n THR 79 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ckk s ASP 80 N -2.84 5.81 -0.09 3.42 -4.77 -1.26 -4.90 116.67 112.03 1ckk s ASP 80 Ca 0.00 -0.51 -0.01 0.00 -3.30 0.00 0.00 52.55 48.74 1ckk s ASP 80 Cb 0.00 -2.07 -0.05 0.00 -1.09 0.00 0.00 42.92 39.71 1ckk s ASP 80 CO 0.00 -0.23 -0.09 -1.20 0.70 0.00 0.00 175.17 174.35 1ckk n SER 81 N 5.05 2.60 -0.00 2.11 7.64 -1.26 -4.58 113.62 125.17 1ckk n SER 81 Ca -0.13 -0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.84 1ckk n SER 81 Cb 0.49 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.94 0.30 0.07 1.43 4.07 -1.26 -4.33 120.64 117.99 1ckk n GLU 82 Ca -0.17 -0.04 -0.22 0.00 -0.06 0.00 0.00 57.16 56.68 1ckk n GLU 82 Cb 0.66 -1.48 -0.12 0.00 -0.06 0.00 0.00 31.44 30.44 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1ckk h GLU 83 N 0.00 0.62 0.00 5.31 4.22 -1.94 -3.19 114.58 119.60 1ckk h GLU 83 Ca 0.00 -0.79 -0.02 0.00 0.08 0.00 0.00 59.36 58.63 1ckk h GLU 83 Cb 0.58 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ckk h GLU 83 CO 0.00 1.35 -0.11 1.05 -2.18 0.00 0.00 179.01 179.12 1ckk h GLU 84 N 0.25 0.00 0.01 1.92 4.11 -1.81 -2.76 114.58 116.30 1ckk h GLU 84 Ca -0.17 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.07 1ckk h GLU 84 Cb 1.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.06 1ckk h GLU 84 CO 0.22 0.11 -0.87 0.82 0.07 0.00 0.00 179.01 179.36 1ckk h ILE 85 N 0.00 1.55 -0.46 -1.06 2.04 -1.75 -2.86 117.51 114.97 1ckk h ILE 85 Ca -0.00 -2.78 -0.08 0.00 1.00 0.00 0.00 64.86 63.00 1ckk h ILE 85 Cb 0.53 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.12 1ckk h ILE 85 CO 0.01 0.80 -0.06 -0.09 0.00 0.00 0.00 178.15 178.82 1ckk h ARG 86 N 0.05 0.80 0.15 2.37 1.12 -1.47 -1.39 114.38 116.00 1ckk h ARG 86 Ca -0.03 -0.24 -0.01 0.00 -1.11 0.00 0.00 59.98 58.59 1ckk h ARG 86 Cb 1.52 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.40 1ckk h ARG 86 CO 0.12 0.84 -0.07 0.93 -3.11 0.00 0.00 179.97 178.68 1ckk h GLU 87 N 0.73 -0.19 -0.43 0.20 5.08 -1.55 -2.35 114.58 116.06 1ckk h GLU 87 Ca 0.13 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1ckk h GLU 87 Cb 0.53 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1ckk h GLU 87 CO 0.03 0.20 0.31 0.00 -1.00 0.00 0.00 179.01 178.55 1ckk h ALA 88 N 0.11 2.40 -0.24 3.43 0.00 -1.44 -0.39 119.26 123.12 1ckk h ALA 88 Ca -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ckk h ALA 88 Cb 0.48 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ckk h ALA 88 CO 0.03 -0.53 -0.17 0.35 0.00 0.00 0.00 179.25 178.92 1ckk h PHE 89 N 0.00 0.65 -0.97 0.00 3.57 -1.03 -2.77 116.94 116.39 1ckk h PHE 89 Ca 0.20 -0.18 0.19 0.00 3.53 0.00 0.00 57.97 61.72 1ckk h PHE 89 Cb 0.83 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.34 1ckk h PHE 89 CO 0.00 0.85 0.61 -0.09 -2.23 0.00 0.00 178.31 177.45 1ckk h ARG 90 N 0.26 0.63 0.13 1.11 2.43 -0.53 0.11 114.38 118.52 1ckk h ARG 90 Ca 0.05 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ckk h ARG 90 Cb 0.71 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1ckk h ARG 90 CO 0.05 0.42 -0.06 0.28 -1.51 0.00 0.00 179.97 179.14 1ckk h VAL 91 N 0.65 0.96 -0.42 0.20 2.07 -1.23 -2.82 116.25 115.65 1ckk h VAL 91 Ca 0.53 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1ckk h VAL 91 Cb 0.97 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1ckk h VAL 91 CO -0.29 0.09 0.15 -0.26 0.02 0.00 0.00 177.57 177.28 1ckk h PHE 92 N -0.35 0.61 -2.72 1.57 -1.00 -0.99 -3.16 116.94 110.90 1ckk h PHE 92 Ca -0.02 -0.03 -0.81 0.00 2.81 0.00 0.00 57.97 59.93 1ckk h PHE 92 Cb 0.28 -0.19 -0.28 0.00 3.61 0.00 0.00 35.95 39.38 1ckk h PHE 92 CO -0.01 0.49 0.82 -3.47 -1.61 0.00 0.00 178.31 174.53 1ckk n ASP 93 N -4.35 6.63 -0.39 2.17 2.03 0.25 -4.49 116.55 118.40 1ckk n ASP 93 Ca 0.03 -3.49 0.34 0.00 0.52 0.00 0.00 54.79 52.19 1ckk n ASP 93 Cb 0.16 -1.23 0.58 0.00 -0.72 0.00 0.00 41.12 39.91 1ckk n ASP 93 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ckk n LYS 94 N 0.93 -0.04 0.04 -0.67 4.81 -1.19 0.25 118.16 122.30 1ckk n LYS 94 Ca 0.32 1.12 -0.10 0.00 -0.87 0.00 0.00 58.31 58.78 1ckk n LYS 94 Cb 0.31 -2.17 -0.13 0.00 0.02 0.00 0.00 35.03 33.06 1ckk n LYS 94 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1ckk h ASP 95 N 0.00 0.13 -1.21 3.14 3.04 -1.88 -3.48 116.42 116.15 1ckk h ASP 95 Ca 0.77 -0.17 -0.09 0.00 -3.24 0.00 0.00 57.03 54.30 1ckk h ASP 95 Cb 2.39 -0.04 0.01 0.00 -1.04 0.00 0.00 39.33 40.65 1ckk h ASP 95 CO -0.46 1.14 -0.13 0.61 -2.04 0.00 0.00 179.24 178.35 1ckk n GLY 96 N 1.49 0.34 0.08 7.15 0.00 0.70 -4.94 105.19 110.01 1ckk n GLY 96 Ca -0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1ckk n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ckk h ASN 97 N -0.23 0.10 0.00 1.61 -1.07 -1.93 -3.48 115.58 110.58 1ckk h ASN 97 Ca -0.12 -0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.10 1ckk h ASN 97 Cb 1.08 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 1ckk h ASN 97 CO 0.13 1.12 0.00 0.61 0.07 0.00 0.00 177.43 179.37 1ckk n GLY 98 N 1.51 0.98 3.51 9.14 0.00 -1.26 -5.13 105.19 113.93 1ckk n GLY 98 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.34 -0.65 -0.27 1.61 2.02 -1.26 -4.73 117.35 112.73 1ckk s TYR 99 Ca 0.00 1.20 -0.05 0.00 -0.37 0.00 0.00 57.07 57.84 1ckk s TYR 99 Cb 0.00 0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.96 1ckk s TYR 99 CO 0.00 -0.32 0.02 0.42 -1.57 0.00 0.00 175.55 174.10 1ckk s ILE 100 N 1.99 3.63 0.06 2.71 1.01 0.46 -4.85 121.20 126.21 1ckk s ILE 100 Ca -0.05 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.93 1ckk s ILE 100 Cb -0.05 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.57 1ckk s ILE 100 CO -0.16 0.19 0.06 -0.94 0.00 0.00 0.00 174.94 174.09 1ckk s SER 101 N 1.46 5.44 0.43 3.58 1.04 -1.26 0.31 113.70 124.70 1ckk s SER 101 Ca 0.03 -0.01 0.34 0.00 0.48 0.00 0.00 55.95 56.79 1ckk s SER 101 Cb -0.16 -1.45 1.41 0.00 0.10 0.00 0.00 66.02 65.91 1ckk s SER 101 CO -0.00 0.20 1.41 0.00 0.98 0.00 0.00 173.24 175.83 1ckk n ALA 102 N 0.70 1.36 0.04 5.32 0.00 -1.26 0.13 120.51 126.81 1ckk n ALA 102 Ca -0.10 0.73 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 1ckk n ALA 102 Cb 0.52 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 1ckk n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ckk h ALA 103 N 1.29 -0.05 -0.41 0.00 0.00 -1.96 -2.35 119.26 115.79 1ckk h ALA 103 Ca 0.81 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.70 1ckk h ALA 103 Cb 2.79 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 20.55 1ckk h ALA 103 CO -0.31 -0.45 0.11 0.93 0.00 0.00 0.00 179.25 179.52 1ckk h GLU 104 N -0.20 0.24 -0.91 0.00 5.08 0.80 -0.36 114.58 119.24 1ckk h GLU 104 Ca -0.00 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1ckk h GLU 104 Cb 0.18 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.27 1ckk h GLU 104 CO 0.01 0.16 0.48 -0.07 -1.00 0.00 0.00 179.01 178.59 1ckk h LEU 105 N 0.25 0.57 -1.53 1.33 3.38 -1.26 0.46 115.31 118.51 1ckk h LEU 105 Ca 0.20 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ckk h LEU 105 Cb 0.22 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ckk h LEU 105 CO -0.23 0.20 0.26 0.03 0.09 0.00 0.00 178.44 178.78 1ckk h ARG 106 N 0.63 0.57 0.00 1.13 2.47 -0.53 0.09 114.38 118.74 1ckk h ARG 106 Ca 0.52 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.17 1ckk h ARG 106 Cb 0.81 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1ckk h ARG 106 CO -0.40 0.40 -0.11 0.45 0.56 0.00 0.00 179.97 180.87 1ckk h HIS 107 N 0.59 0.00 0.07 3.04 3.86 0.35 -2.65 115.15 120.41 1ckk h HIS 107 Ca 0.16 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.09 1ckk h HIS 107 Cb -0.03 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1ckk h HIS 107 CO 0.00 0.11 -1.46 0.28 0.86 0.00 0.00 177.93 177.73 1ckk h VAL 108 N 0.00 0.91 -0.40 2.45 2.07 -0.49 -3.29 116.25 117.50 1ckk h VAL 108 Ca -0.00 -2.30 -0.03 0.00 0.82 0.00 0.00 66.70 65.19 1ckk h VAL 108 Cb 0.59 2.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1ckk h VAL 108 CO 0.01 0.61 0.15 0.00 0.02 0.00 0.00 177.57 178.36 1ckk h MET 109 N -0.49 0.61 0.00 1.57 3.00 -1.28 -2.22 114.93 116.13 1ckk h MET 109 Ca -0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 59.70 59.23 1ckk h MET 109 Cb 1.64 -0.09 -0.00 0.00 0.00 0.00 0.00 31.60 33.14 1ckk h MET 109 CO -0.03 0.59 -0.03 1.15 0.00 0.00 0.00 176.91 178.59 1ckk h THR 110 N 0.51 0.80 -0.00 -0.10 2.02 -1.06 0.12 112.91 115.19 1ckk h THR 110 Ca 0.13 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1ckk h THR 110 Cb 0.22 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1ckk h THR 110 CO -0.01 0.03 -0.10 0.59 0.37 0.00 0.00 175.52 176.40 1ckk n ASN 111 N -4.18 0.18 -0.04 4.18 5.03 -0.87 -3.52 115.26 116.04 1ckk n ASN 111 Ca -0.03 0.02 0.03 0.00 0.87 0.00 0.00 54.58 55.47 1ckk n ASN 111 Cb 0.11 -0.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.60 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1ckk n LEU 112 N -1.34 0.49 0.00 3.41 4.77 0.24 -4.70 117.00 119.86 1ckk n LEU 112 Ca 0.10 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 1ckk n LEU 112 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ckk n LEU 112 CO 0.27 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1ckk n GLY 113 N 1.04 2.98 3.79 -0.72 0.00 -0.11 -4.93 105.19 107.24 1ckk n GLY 113 Ca 0.02 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 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 3.31 -0.48 1.61 2.12 -1.16 -4.78 118.70 119.32 1ckk s GLU 114 Ca 0.00 1.39 0.08 0.00 0.36 0.00 0.00 54.97 56.80 1ckk s GLU 114 Cb 0.00 -2.02 0.27 0.00 0.26 0.00 0.00 34.13 32.64 1ckk s GLU 114 CO 0.00 -0.85 0.65 1.63 -0.54 0.00 0.00 175.26 176.16 1ckk n LYS 115 N -1.71 1.53 -1.71 4.30 5.02 -1.26 -2.19 118.16 122.13 1ckk n LYS 115 Ca 0.10 -3.84 -0.67 0.00 -2.02 0.00 0.00 58.31 51.89 1ckk n LYS 115 Cb 0.52 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ckk n LEU 116 N 0.97 1.26 -4.07 -0.35 4.32 -1.26 -4.85 117.00 113.01 1ckk n LEU 116 Ca 0.25 1.14 -0.21 0.00 -0.02 0.00 0.00 56.01 57.17 1ckk n LEU 116 Cb 0.50 -0.90 0.16 0.00 -1.62 0.00 0.00 43.42 41.56 1ckk n LEU 116 CO 0.27 -0.81 -0.07 0.41 -1.22 0.00 0.00 177.39 175.97 1ckk n THR 117 N 4.23 0.00 0.10 -5.08 -1.04 -1.26 -4.31 114.28 106.93 1ckk n THR 117 Ca 0.32 -0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 62.12 1ckk n THR 117 Cb -0.05 -0.54 -0.08 0.00 -1.82 0.00 0.00 70.33 67.84 1ckk n THR 117 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ckk h ASP 118 N -2.65 -0.20 -0.73 8.00 1.82 -1.99 0.11 116.42 120.79 1ckk h ASP 118 Ca -0.30 -0.17 0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1ckk h ASP 118 Cb 0.91 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.94 1ckk h ASP 118 CO 0.20 0.06 0.48 1.05 -1.61 0.00 0.00 179.24 179.42 1ckk h GLU 119 N -0.47 0.95 -0.58 0.28 4.11 -1.98 0.39 114.58 117.28 1ckk h GLU 119 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 1ckk h GLU 119 Cb 0.37 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1ckk h GLU 119 CO 0.04 0.63 0.32 0.93 0.07 0.00 0.00 179.01 181.00 1ckk h GLU 120 N 0.98 0.82 -0.08 1.06 5.08 -1.84 0.19 114.58 120.79 1ckk h GLU 120 Ca 0.27 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1ckk h GLU 120 Cb -0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1ckk h GLU 120 CO -0.06 0.63 -0.03 0.28 -1.00 0.00 0.00 179.01 178.83 1ckk h VAL 121 N 0.79 1.31 -0.85 3.13 2.07 -0.11 -1.25 116.25 121.34 1ckk h VAL 121 Ca 0.21 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1ckk h VAL 121 Cb 0.05 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1ckk h VAL 121 CO -0.03 0.28 0.56 -0.78 0.02 0.00 0.00 177.57 177.61 1ckk h ASP 122 N -0.20 0.88 0.12 0.57 1.82 -0.04 -0.65 116.42 118.91 1ckk h ASP 122 Ca 0.02 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.55 1ckk h ASP 122 Cb 0.46 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1ckk h ASP 122 CO 0.01 0.59 -0.38 -0.08 -1.61 0.00 0.00 179.24 177.77 1ckk h GLU 123 N 1.01 0.35 -0.74 0.28 4.57 -0.46 -1.25 114.58 118.34 1ckk h GLU 123 Ca 0.35 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 58.30 1ckk h GLU 123 Cb 0.11 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 1ckk h GLU 123 CO -0.11 0.68 0.21 1.98 -1.18 0.00 0.00 179.01 180.59 1ckk h MET 124 N 0.30 1.16 0.13 1.92 4.05 0.10 0.81 114.93 123.40 1ckk h MET 124 Ca 0.03 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.18 1ckk h MET 124 Cb 0.80 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1ckk h MET 124 CO 0.06 1.00 -0.06 0.82 0.23 0.00 0.00 176.91 178.96 1ckk h ILE 125 N 1.11 0.89 -0.06 1.77 1.08 -1.20 -2.94 117.51 118.15 1ckk h ILE 125 Ca 0.24 -1.26 0.04 0.00 -0.39 0.00 0.00 64.86 63.48 1ckk h ILE 125 Cb 0.34 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.57 1ckk h ILE 125 CO -0.00 0.25 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.39 1ckk h ARG 126 N -0.89 -0.31 -0.80 2.37 2.43 -1.24 2.02 114.38 117.96 1ckk h ARG 126 Ca -0.02 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.41 1ckk h ARG 126 Cb 0.53 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1ckk h ARG 126 CO 0.03 -0.21 0.58 1.49 -1.51 0.00 0.00 179.97 180.35 1ckk h GLU 127 N -0.33 0.00 0.00 0.20 4.57 -0.94 -0.22 114.58 117.86 1ckk h GLU 127 Ca 0.08 -0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 58.06 1ckk h GLU 127 Cb 0.43 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 1ckk h GLU 127 CO -0.24 0.00 -1.97 0.00 -1.18 0.00 0.00 179.01 175.62 1ckk n ALA 128 N -2.69 2.00 -1.52 2.92 0.00 0.06 -4.85 120.51 116.43 1ckk n ALA 128 Ca 0.16 -0.85 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 1ckk n ALA 128 Cb 0.87 -0.59 -0.16 0.00 0.00 0.00 0.00 19.45 19.57 1ckk n ALA 128 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckk n ASP 129 N -2.66 -0.03 0.09 0.00 8.00 0.66 -4.68 116.55 117.94 1ckk n ASP 129 Ca -0.17 -0.73 -0.14 0.00 0.71 0.00 0.00 54.79 54.46 1ckk n ASP 129 Cb 0.89 -0.98 -0.14 0.00 -0.02 0.00 0.00 41.12 40.87 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 7.38 1.48 0.13 0.53 2.04 -1.87 -3.34 117.51 123.86 1ckk h ILE 130 Ca -0.00 -3.09 -0.34 0.00 1.00 0.00 0.00 64.86 62.43 1ckk h ILE 130 Cb 1.13 2.89 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1ckk h ILE 130 CO 1.38 0.89 -1.79 -2.24 0.00 0.00 0.00 178.15 176.40 1ckk h ASP 131 N 0.06 0.43 0.00 1.72 2.03 -1.96 -3.49 116.42 115.20 1ckk h ASP 131 Ca -0.13 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.42 1ckk h ASP 131 Cb 1.94 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 40.30 1ckk h ASP 131 CO 0.18 1.65 0.00 0.61 -1.03 0.00 0.00 179.24 180.66 1ckk n GLY 132 N 1.83 0.79 0.00 7.15 0.00 -1.25 -5.05 105.19 108.66 1ckk n GLY 132 Ca -0.25 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 0.00 -0.79 1.61 5.68 -1.26 -4.98 116.55 116.81 1ckk n ASP 133 Ca 0.00 -1.00 -0.10 0.00 -0.50 0.00 0.00 54.79 53.19 1ckk n ASP 133 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 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 0.00 0.93 3.42 6.12 0.00 -1.26 -4.89 105.19 109.50 1ckk n GLY 134 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ckk n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 135 N -2.73 1.41 -0.05 1.61 -0.21 -1.26 -4.36 119.66 114.06 1ckk s GLN 135 Ca 0.00 -1.43 0.02 0.00 0.02 0.00 0.00 55.36 53.97 1ckk s GLN 135 Cb 0.00 0.38 0.02 0.00 1.00 0.00 0.00 33.01 34.41 1ckk s GLN 135 CO 0.00 -0.54 -0.08 0.08 -2.12 0.00 0.00 175.29 172.63 1ckk s VAL 136 N -4.06 0.84 0.00 1.09 1.01 0.15 -4.84 120.40 114.60 1ckk s VAL 136 Ca 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1ckk s VAL 136 Cb 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1ckk s VAL 136 CO 0.11 0.29 0.00 -0.46 0.00 0.00 0.00 175.10 175.04 1ckk n ASN 137 N 3.91 1.40 0.29 3.32 6.94 -1.26 0.18 115.26 130.04 1ckk n ASN 137 Ca -0.24 -0.01 -0.11 0.00 -0.02 0.00 0.00 54.58 54.20 1ckk n ASN 137 Cb 0.51 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.88 1ckk n ASN 137 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1ckk h TYR 138 N 0.01 -0.69 -0.19 -2.53 3.20 -1.98 -1.84 116.97 112.93 1ckk h TYR 138 Ca 0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 1ckk h TYR 138 Cb 0.00 0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1ckk h TYR 138 CO 0.00 -0.43 -0.13 1.49 -1.64 0.00 0.00 178.16 177.45 1ckk h GLU 139 N -0.84 -0.01 -0.49 1.82 4.57 -1.98 -0.34 114.58 117.31 1ckk h GLU 139 Ca -0.08 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 1ckk h GLU 139 Cb 0.57 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.09 1ckk h GLU 139 CO 0.13 -0.01 -0.52 1.49 -1.18 0.00 0.00 179.01 178.92 1ckk h GLU 140 N -0.01 -0.28 -0.54 1.92 4.81 -1.96 1.21 114.58 119.73 1ckk h GLU 140 Ca 0.03 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.44 1ckk h GLU 140 Cb 0.09 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1ckk h GLU 140 CO -0.19 -0.18 0.82 0.35 -0.73 0.00 0.00 179.01 179.07 1ckk h PHE 141 N -0.29 0.00 0.00 0.92 3.57 -0.38 0.40 116.94 121.16 1ckk h PHE 141 Ca 0.08 0.00 -0.36 0.00 3.53 0.00 0.00 57.97 61.22 1ckk h PHE 141 Cb 0.51 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1ckk h PHE 141 CO -0.78 0.00 -2.32 0.28 -2.23 0.00 0.00 178.31 173.26 1ckk n VAL 142 N -3.24 1.44 0.31 1.41 0.31 0.34 -4.03 118.33 114.87 1ckk n VAL 142 Ca 0.11 -0.81 0.10 0.00 -0.01 0.00 0.00 64.34 63.74 1ckk n VAL 142 Cb 1.00 -0.69 0.46 0.00 -0.91 0.00 0.00 33.84 33.71 1ckk n VAL 142 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ckk n GLN 143 N -2.87 0.14 0.02 5.55 1.13 0.28 -1.45 117.38 120.17 1ckk n GLN 143 Ca -0.33 0.47 0.10 0.00 -1.94 0.00 0.00 57.00 55.31 1ckk n GLN 143 Cb 1.12 -1.83 -0.13 0.00 0.11 0.00 0.00 30.24 29.52 1ckk n GLN 143 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1ckk n MET 144 N -2.10 0.65 -0.00 -1.09 2.81 -0.84 -3.85 117.12 112.69 1ckk n MET 144 Ca 0.01 -0.11 0.10 0.00 -1.81 0.00 0.00 57.70 55.89 1ckk n MET 144 Cb 0.15 -1.60 -0.11 0.00 -0.71 0.00 0.00 33.22 30.95 1ckk n MET 144 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1ckk n MET 145 N -2.38 0.08 -2.88 0.03 2.81 -0.83 -4.79 117.12 109.16 1ckk n MET 145 Ca -0.04 -0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.81 1ckk n MET 145 Cb 0.58 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.60 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 -3.07 -0.75 -2.19 2.03 -1.32 -0.53 -4.99 115.64 104.82 1ckk s THR 146 Ca 0.06 -0.42 0.22 0.00 -1.21 0.00 0.00 61.69 60.35 1ckk s THR 146 Cb 0.16 0.00 0.55 0.00 -1.51 0.00 0.00 72.50 71.70 1ckk s THR 146 CO 0.87 0.00 1.48 0.00 -2.21 0.00 0.00 174.62 174.76 1ckk n ALA 147 N 3.43 2.40 -0.08 11.08 0.00 -1.25 -4.61 120.51 131.48 1ckk n ALA 147 Ca 0.13 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1ckk n ALA 147 Cb 0.59 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.12 1ckk n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13