#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 0.08 -4.87 0.00 5.68 -1.26 -5.09 116.55 111.09 1ckk n ASP 2 Ca 0.00 -1.03 -0.31 0.00 -0.50 0.00 0.00 54.79 52.95 1ckk n ASP 2 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ckk s GLN 3 N -0.03 3.81 0.00 0.11 -2.07 -1.26 -5.09 119.66 115.13 1ckk s GLN 3 Ca 0.00 0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.90 1ckk s GLN 3 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 1ckk s GLN 3 CO 0.00 0.18 0.00 1.28 -1.32 0.00 0.00 175.29 175.43 1ckk n LEU 4 N -0.63 0.00 -4.63 2.60 4.77 -1.26 -5.07 117.00 112.78 1ckk n LEU 4 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.58 1ckk n LEU 4 Cb 0.53 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1ckk n LEU 4 CO 0.45 0.00 0.54 0.42 -1.33 0.00 0.00 177.39 177.47 1ckk s THR 5 N 2.27 4.89 0.11 -5.08 -4.23 -1.26 -4.96 115.64 107.38 1ckk s THR 5 Ca 0.00 1.34 -0.33 0.00 -1.18 0.00 0.00 61.69 61.52 1ckk s THR 5 Cb 0.00 -4.05 -0.12 0.00 1.34 0.00 0.00 72.50 69.67 1ckk s THR 5 CO 0.00 -0.06 1.57 -0.33 -0.54 0.00 0.00 174.62 175.26 1ckk h GLU 6 N 7.83 -0.70 -0.59 3.99 3.07 -1.98 0.28 114.58 126.49 1ckk h GLU 6 Ca -0.25 0.05 0.06 0.00 -0.50 0.00 0.00 59.36 58.72 1ckk h GLU 6 Cb 1.10 0.16 -0.08 0.00 -0.84 0.00 0.00 28.75 29.09 1ckk h GLU 6 CO 0.83 -0.46 -0.44 1.49 -1.40 0.00 0.00 179.01 179.03 1ckk h GLU 7 N -0.72 -0.11 -0.48 2.33 4.57 -1.99 1.32 114.58 119.50 1ckk h GLU 7 Ca 0.01 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.27 1ckk h GLU 7 Cb 0.73 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.28 1ckk h GLU 7 CO -0.25 -0.07 0.13 1.96 -1.18 0.00 0.00 179.01 179.60 1ckk h GLN 8 N -0.11 0.28 0.13 1.92 4.20 -1.92 -2.57 115.11 117.03 1ckk h GLN 8 Ca 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1ckk h GLN 8 Cb 0.36 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1ckk h GLN 8 CO -0.61 0.18 -0.06 0.82 -0.67 0.00 0.00 178.83 178.49 1ckk h ILE 9 N 0.29 0.96 -0.87 2.54 2.04 0.12 -2.69 117.51 119.91 1ckk h ILE 9 Ca 0.23 -0.35 0.17 0.00 1.00 0.00 0.00 64.86 65.92 1ckk h ILE 9 Cb 0.28 1.18 -0.16 0.00 -0.74 0.00 0.00 36.82 37.38 1ckk h ILE 9 CO -0.27 0.08 -0.22 0.00 0.00 0.00 0.00 178.15 177.74 1ckk h ALA 10 N 0.52 0.55 0.13 1.87 0.00 0.20 0.59 119.26 123.13 1ckk h ALA 10 Ca -0.02 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ckk h ALA 10 Cb 0.27 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ckk h ALA 10 CO 0.03 -0.41 -0.15 1.49 0.00 0.00 0.00 179.25 180.22 1ckk h GLU 11 N -0.00 -0.30 -1.00 0.00 4.57 -1.32 0.67 114.58 117.20 1ckk h GLU 11 Ca 0.41 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.69 1ckk h GLU 11 Cb 0.63 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.22 1ckk h GLU 11 CO -0.89 -0.20 0.64 0.74 -1.18 0.00 0.00 179.01 178.12 1ckk h PHE 12 N -0.31 1.18 -0.66 0.92 -1.00 -0.24 -0.96 116.94 115.86 1ckk h PHE 12 Ca 0.01 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 1ckk h PHE 12 Cb 0.30 -0.39 -0.03 0.00 3.61 0.00 0.00 35.95 39.45 1ckk h PHE 12 CO -0.14 0.59 0.26 -0.22 -1.61 0.00 0.00 178.31 177.19 1ckk h LYS 13 N 1.14 0.99 -0.16 1.51 3.64 0.75 -1.26 116.57 123.19 1ckk h LYS 13 Ca 0.44 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1ckk h LYS 13 Cb 0.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1ckk h LYS 13 CO -0.18 0.83 0.12 1.49 -2.27 0.00 0.00 179.45 179.44 1ckk h GLU 14 N 0.94 0.00 0.36 1.90 4.57 0.46 -0.10 114.58 122.72 1ckk h GLU 14 Ca 0.22 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.38 1ckk h GLU 14 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1ckk h GLU 14 CO -0.02 0.00 -0.18 0.00 -1.18 0.00 0.00 179.01 177.64 1ckk h ALA 15 N 1.90 -0.52 -0.82 2.92 0.00 -0.67 -0.92 119.26 121.14 1ckk h ALA 15 Ca 0.07 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1ckk h ALA 15 Cb 0.32 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1ckk h ALA 15 CO -0.00 -0.49 0.56 0.35 0.00 0.00 0.00 179.25 179.67 1ckk h PHE 16 N -1.05 0.36 -0.38 0.00 3.57 -1.16 0.32 116.94 118.60 1ckk h PHE 16 Ca -0.05 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.31 1ckk h PHE 16 Cb 0.38 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1ckk h PHE 16 CO 0.01 0.11 -0.36 0.66 -2.23 0.00 0.00 178.31 176.49 1ckk h SER 17 N 0.28 0.95 -0.93 0.41 4.64 -1.00 0.10 113.55 118.01 1ckk h SER 17 Ca 0.41 -0.42 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1ckk h SER 17 Cb 1.19 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.94 1ckk h SER 17 CO -0.11 1.20 0.60 0.25 -0.87 0.00 0.00 176.83 177.90 1ckk h LEU 18 N 0.74 0.58 0.08 5.97 6.46 0.11 -2.02 115.31 127.23 1ckk h LEU 18 Ca 0.07 0.05 -0.20 0.00 -0.12 0.00 0.00 57.88 57.68 1ckk h LEU 18 Cb 0.94 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1ckk h LEU 18 CO 0.09 0.25 -1.00 -0.26 -0.62 0.00 0.00 178.44 176.89 1ckk h PHE 19 N 0.59 0.32 -0.97 1.25 0.04 -1.20 -3.41 116.94 113.57 1ckk h PHE 19 Ca 0.49 -0.24 -0.54 0.00 2.80 0.00 0.00 57.97 60.49 1ckk h PHE 19 Cb 0.96 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.02 1ckk h PHE 19 CO -0.00 1.39 1.43 0.34 -0.60 0.00 0.00 178.31 180.86 1ckk s ASP 20 N -6.85 6.21 0.18 2.17 2.15 0.33 -4.55 116.67 116.30 1ckk s ASP 20 Ca -0.20 -1.45 0.22 0.00 0.43 0.00 0.00 52.55 51.56 1ckk s ASP 20 Cb 0.02 -2.57 0.89 0.00 -0.30 0.00 0.00 42.92 40.97 1ckk s ASP 20 CO 0.74 -1.78 1.68 0.29 -0.17 0.00 0.00 175.17 175.93 1ckk n LYS 21 N 8.79 0.15 0.00 4.34 4.76 -1.25 -2.66 118.16 132.28 1ckk n LYS 21 Ca 0.37 0.33 0.05 0.00 -2.87 0.00 0.00 58.31 56.19 1ckk n LYS 21 Cb 0.49 -1.76 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 1ckk n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ckk n ASP 22 N -2.03 1.06 -3.60 4.39 5.75 -1.26 -5.01 116.55 115.84 1ckk n ASP 22 Ca 0.03 -1.03 -0.25 0.00 -0.01 0.00 0.00 54.79 53.53 1ckk n ASP 22 Cb 0.25 0.57 0.05 0.00 -1.03 0.00 0.00 41.12 40.96 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 23 N 0.95 -0.86 0.14 6.12 0.00 -1.09 -4.92 105.19 105.54 1ckk n GLY 23 Ca 0.04 0.41 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.89 2.83 0.00 1.61 5.75 -1.26 -5.03 116.55 117.56 1ckk n ASP 24 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1ckk n ASP 24 Cb 0.62 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 2.90 1.58 2.86 6.12 0.00 -1.26 -5.11 105.19 112.27 1ckk n GLY 25 Ca -0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.64 -0.52 -0.28 2.61 -4.23 -1.24 -4.44 115.64 105.89 1ckk s THR 26 Ca 0.00 -0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.14 1ckk s THR 26 Cb 0.00 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 1ckk s THR 26 CO 0.00 -0.20 0.69 -0.63 -0.54 0.00 0.00 174.62 173.93 1ckk s ILE 27 N 2.47 4.91 0.24 2.99 1.01 -0.71 -4.77 121.20 127.34 1ckk s ILE 27 Ca 0.11 1.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.81 1ckk s ILE 27 Cb -0.15 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1ckk s ILE 27 CO -0.19 -0.10 0.48 0.42 0.00 0.00 0.00 174.94 175.56 1ckk s THR 28 N 2.67 5.08 0.57 2.92 -4.23 -1.26 -2.43 115.64 118.96 1ckk s THR 28 Ca 0.28 -0.00 0.36 0.00 -1.18 0.00 0.00 61.69 61.15 1ckk s THR 28 Cb -0.15 -3.70 0.52 0.00 1.34 0.00 0.00 72.50 70.51 1ckk s THR 28 CO 0.10 -0.20 1.66 0.71 -0.54 0.00 0.00 174.62 176.35 1ckk h THR 29 N 1.58 0.22 0.54 3.99 1.35 -1.95 -0.75 112.91 117.89 1ckk h THR 29 Ca -0.47 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1ckk h THR 29 Cb 1.18 0.27 0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1ckk h THR 29 CO 0.68 0.00 -0.26 0.50 -0.25 0.00 0.00 175.52 176.19 1ckk h LYS 30 N 0.00 -0.70 -0.17 4.72 3.11 -1.97 0.77 116.57 122.33 1ckk h LYS 30 Ca 0.56 0.05 0.02 0.00 -2.81 0.00 0.00 60.65 58.46 1ckk h LYS 30 Cb 2.53 0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 33.89 1ckk h LYS 30 CO -0.01 -0.46 -0.19 0.93 -2.81 0.00 0.00 179.45 176.91 1ckk h GLU 31 N -0.99 -0.12 -0.98 1.90 5.08 -1.47 0.39 114.58 118.40 1ckk h GLU 31 Ca -0.07 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.49 1ckk h GLU 31 Cb 0.55 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1ckk h GLU 31 CO 0.12 -0.08 0.61 1.25 -1.00 0.00 0.00 179.01 179.92 1ckk h LEU 32 N -0.12 0.66 -0.72 1.33 5.85 -1.63 0.21 115.31 120.90 1ckk h LEU 32 Ca 0.03 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1ckk h LEU 32 Cb 0.20 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1ckk h LEU 32 CO -0.22 0.24 0.46 1.23 -0.34 0.00 0.00 178.44 179.81 1ckk h GLY 33 N 0.65 1.02 0.88 3.75 0.00 0.19 -1.88 103.07 107.69 1ckk h GLY 33 Ca 0.55 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1ckk h GLY 33 CO -0.31 0.32 0.01 -0.84 0.00 0.00 0.00 176.54 175.72 1ckk h THR 34 N 0.92 0.95 -0.47 4.70 2.02 0.29 -0.28 112.91 121.04 1ckk h THR 34 Ca 0.28 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.52 1ckk h THR 34 Cb -0.03 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 1ckk h THR 34 CO -0.09 0.01 0.08 0.58 0.37 0.00 0.00 175.52 176.47 1ckk h VAL 35 N 0.06 0.72 -0.43 3.16 2.07 -0.98 0.35 116.25 121.21 1ckk h VAL 35 Ca 0.04 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ckk h VAL 35 Cb 0.04 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1ckk h VAL 35 CO -0.06 0.04 0.20 0.24 0.02 0.00 0.00 177.57 178.00 1ckk h MET 36 N 0.21 0.60 0.00 1.57 2.86 -0.89 -0.67 114.93 118.60 1ckk h MET 36 Ca 0.23 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1ckk h MET 36 Cb 0.31 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1ckk h MET 36 CO -0.32 0.48 -0.02 -0.09 1.06 0.00 0.00 176.91 178.01 1ckk h ARG 37 N 0.60 0.00 0.00 1.72 1.12 0.83 -2.80 114.38 115.85 1ckk h ARG 37 Ca 0.15 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.98 1ckk h ARG 37 Cb 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 1ckk h ARG 37 CO -0.02 0.02 -0.30 0.77 -3.11 0.00 0.00 179.97 177.33 1ckk h SER 38 N 0.00 0.00 -1.40 -3.80 0.02 -0.11 -3.32 113.55 104.93 1ckk h SER 38 Ca -0.00 -0.47 0.41 0.00 -0.84 0.00 0.00 61.79 60.89 1ckk h SER 38 Cb 0.47 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.93 1ckk h SER 38 CO 0.00 0.91 0.98 -0.07 -1.14 0.00 0.00 176.83 177.51 1ckk h LEU 39 N -1.00 0.10 0.00 5.07 3.38 -1.48 -3.44 115.31 117.95 1ckk h LEU 39 Ca -0.06 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ckk h LEU 39 Cb 0.69 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ckk h LEU 39 CO -0.04 -0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.08 1ckk n GLY 40 N -1.73 1.91 2.28 0.83 0.00 -1.21 -4.99 105.19 102.27 1ckk n GLY 40 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.41 1.01 -3.13 1.61 1.13 -1.06 -5.07 117.38 111.46 1ckk n GLN 41 Ca 0.00 -2.06 -0.19 0.00 -1.94 0.00 0.00 57.00 52.81 1ckk n GLN 41 Cb 0.00 0.22 -0.05 0.00 0.11 0.00 0.00 30.24 30.52 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 -1.90 -1.17 -4.78 1.08 2.85 -1.26 -4.55 115.26 105.53 1ckk n ASN 42 Ca -0.01 -2.69 -0.35 0.00 -0.11 0.00 0.00 54.58 51.41 1ckk n ASN 42 Cb 0.38 0.17 -0.02 0.00 1.24 0.00 0.00 39.78 41.55 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1ckk s PRO 43 N -0.07 3.67 0.00 1.20 0.04 -1.26 -5.06 135.00 133.51 1ckk s PRO 43 Ca 0.33 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1ckk s PRO 43 Cb 0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1ckk s PRO 43 CO -0.15 -0.57 0.00 -2.37 0.04 0.00 0.00 177.00 173.94 1ckk n THR 44 N -0.93 0.00 -0.08 1.26 5.66 -1.26 -4.97 114.28 113.95 1ckk n THR 44 Ca 0.09 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.87 1ckk n THR 44 Cb 0.51 -1.13 -0.12 0.00 -1.55 0.00 0.00 70.33 68.04 1ckk n THR 44 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ckk n GLU 45 N 0.00 0.65 -0.21 1.09 1.02 -1.26 -3.74 120.64 118.18 1ckk n GLU 45 Ca 0.00 0.33 -0.01 0.00 -0.02 0.00 0.00 57.16 57.46 1ckk n GLU 45 Cb 0.00 -1.64 0.20 0.00 -0.02 0.00 0.00 31.44 29.98 1ckk n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ckk h ALA 46 N -0.33 1.34 0.51 0.62 0.00 -2.00 -2.68 119.26 116.72 1ckk h ALA 46 Ca -0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1ckk h ALA 46 Cb 1.71 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ckk h ALA 46 CO -0.14 0.54 -0.24 0.93 0.00 0.00 0.00 179.25 180.34 1ckk h GLU 47 N 1.00 -0.66 -0.81 0.00 4.39 -1.97 -1.67 114.58 114.87 1ckk h GLU 47 Ca 0.25 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.19 1ckk h GLU 47 Cb 0.03 0.15 -0.12 0.00 -0.10 0.00 0.00 28.75 28.70 1ckk h GLU 47 CO -0.04 -0.36 0.20 -0.07 -1.16 0.00 0.00 179.01 177.58 1ckk h LEU 48 N -0.92 0.00 -0.83 1.33 3.38 -1.62 0.59 115.31 117.24 1ckk h LEU 48 Ca -0.07 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ckk h LEU 48 Cb 0.60 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1ckk h LEU 48 CO 0.11 -0.09 0.31 -0.61 0.09 0.00 0.00 178.44 178.26 1ckk h GLN 49 N 0.25 1.18 -0.29 1.13 5.75 -1.38 0.17 115.11 121.91 1ckk h GLN 49 Ca 0.48 -0.21 -0.11 0.00 -0.15 0.00 0.00 58.65 58.65 1ckk h GLN 49 Cb 0.88 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 1ckk h GLN 49 CO -0.58 0.95 -0.25 0.22 -2.65 0.00 0.00 178.83 176.52 1ckk h ASP 50 N 1.15 0.73 -0.11 -0.69 3.58 0.63 -0.94 116.42 120.77 1ckk h ASP 50 Ca 0.26 -0.46 -0.08 0.00 0.42 0.00 0.00 57.03 57.18 1ckk h ASP 50 Cb 0.22 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1ckk h ASP 50 CO -0.02 1.03 -0.17 0.24 -2.88 0.00 0.00 179.24 177.45 1ckk h MET 51 N 0.43 0.49 -0.16 0.28 2.86 0.24 -2.67 114.93 116.40 1ckk h MET 51 Ca 0.05 -0.15 -0.17 0.00 -2.06 0.00 0.00 59.70 57.37 1ckk h MET 51 Cb 0.81 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 1ckk h MET 51 CO 0.06 0.64 -0.61 0.82 1.06 0.00 0.00 176.91 178.89 1ckk h ILE 52 N 0.44 1.33 -0.12 -1.22 1.08 -0.51 -3.23 117.51 115.28 1ckk h ILE 52 Ca 0.08 -1.89 0.04 0.00 -0.39 0.00 0.00 64.86 62.70 1ckk h ILE 52 Cb 0.55 1.86 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 1ckk h ILE 52 CO 0.04 0.58 -0.16 0.78 -0.69 0.00 0.00 178.15 178.70 1ckk h ASN 53 N 0.41 -0.50 -0.69 1.72 -0.26 -0.82 1.40 115.58 116.84 1ckk h ASN 53 Ca -0.01 0.09 0.09 0.00 -0.56 0.00 0.00 56.30 55.92 1ckk h ASN 53 Cb 1.17 0.23 -0.11 0.00 -1.06 0.00 0.00 38.32 38.55 1ckk h ASN 53 CO 0.11 -0.21 -0.48 -0.08 -1.06 0.00 0.00 177.43 175.72 1ckk h GLU 54 N -0.20 -0.18 -0.01 0.81 4.81 -1.55 0.16 114.58 118.42 1ckk h GLU 54 Ca 0.09 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 1ckk h GLU 54 Cb 0.34 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1ckk h GLU 54 CO -0.24 -0.12 -0.73 0.28 -0.73 0.00 0.00 179.01 177.47 1ckk h VAL 55 N -0.18 1.49 -0.05 0.32 2.07 -1.55 -3.37 116.25 114.98 1ckk h VAL 55 Ca 0.18 -2.40 -0.54 0.00 0.82 0.00 0.00 66.70 64.77 1ckk h VAL 55 Cb 0.54 2.29 0.08 0.00 -1.52 0.00 0.00 31.29 32.69 1ckk h VAL 55 CO -0.76 0.69 1.56 -0.67 0.02 0.00 0.00 177.57 178.41 1ckk n ASP 56 N -3.72 1.76 0.24 0.57 2.03 0.47 -4.60 116.55 113.31 1ckk n ASP 56 Ca -0.02 -2.58 0.11 0.00 0.52 0.00 0.00 54.79 52.82 1ckk n ASP 56 Cb 0.71 -0.94 0.62 0.00 -0.72 0.00 0.00 41.12 40.79 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckk h ALA 57 N 9.36 1.24 -0.00 -1.67 0.00 -1.74 -3.10 119.26 123.34 1ckk h ALA 57 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ckk h ALA 57 Cb 0.74 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ckk h ALA 57 CO 1.85 0.22 -0.01 -0.44 0.00 0.00 0.00 179.25 180.87 1ckk h ASP 58 N 0.00 0.01 0.00 0.00 3.32 -1.92 -3.48 116.42 114.35 1ckk h ASP 58 Ca -0.00 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 56.26 1ckk h ASP 58 Cb 0.47 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1ckk h ASP 58 CO 0.02 0.80 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 1ckk n GLY 59 N 1.04 1.72 0.11 2.75 0.00 -1.17 -5.02 105.19 104.61 1ckk n GLY 59 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.50 0.00 1.61 0.23 -1.26 -5.00 115.26 111.34 1ckk n ASN 60 Ca 0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1ckk n ASN 60 Cb 0.00 0.64 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ckk n GLY 61 N 1.87 1.42 3.09 4.83 0.00 -1.26 -5.12 105.19 110.02 1ckk n GLY 61 Ca -0.36 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1ckk n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ckk s THR 62 N -2.00 0.94 0.15 2.61 -4.23 -1.26 -4.55 115.64 107.31 1ckk s THR 62 Ca 0.00 -0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.67 1ckk s THR 62 Cb 0.00 -0.82 -0.07 0.00 1.34 0.00 0.00 72.50 72.95 1ckk s THR 62 CO 0.00 0.16 0.63 -0.63 -0.54 0.00 0.00 174.62 174.23 1ckk s ILE 63 N -0.48 4.69 0.42 2.99 -1.09 -1.02 -4.69 121.20 122.02 1ckk s ILE 63 Ca 0.03 1.15 0.07 0.00 -2.23 0.00 0.00 60.65 59.67 1ckk s ILE 63 Cb -0.06 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1ckk s ILE 63 CO 0.00 0.34 0.05 -1.81 -1.23 0.00 0.00 174.94 172.29 1ckk s ASP 64 N -1.48 4.02 0.08 3.58 1.11 -1.26 -1.74 116.67 120.97 1ckk s ASP 64 Ca 0.37 -1.34 -0.24 0.00 0.18 0.00 0.00 52.55 51.52 1ckk s ASP 64 Cb -0.17 -0.32 -0.16 0.00 1.07 0.00 0.00 42.92 43.34 1ckk s ASP 64 CO 0.20 -0.51 1.68 0.15 1.18 0.00 0.00 175.17 177.87 1ckk h PHE 65 N 1.65 -0.07 0.00 4.23 3.57 -1.99 -2.25 116.94 122.08 1ckk h PHE 65 Ca -0.44 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.03 1ckk h PHE 65 Cb 1.25 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1ckk h PHE 65 CO 0.79 -0.00 -0.17 -1.00 -2.23 0.00 0.00 178.31 175.70 1ckk h PRO 66 N -0.13 0.00 -0.11 6.41 0.13 -1.99 -2.36 132.00 133.96 1ckk h PRO 66 Ca -0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.97 1ckk h PRO 66 Cb 0.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 1ckk h PRO 66 CO 0.01 0.17 -0.58 0.93 -0.23 0.00 0.00 178.00 178.30 1ckk h GLU 67 N 0.00 0.35 0.25 0.86 5.08 -1.76 -2.66 114.58 116.70 1ckk h GLU 67 Ca -0.00 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1ckk h GLU 67 Cb 0.43 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1ckk h GLU 67 CO 0.02 0.83 -0.12 0.35 -1.00 0.00 0.00 179.01 179.10 1ckk h PHE 68 N 0.27 -0.31 -0.88 4.33 3.57 -0.91 -2.07 116.94 120.94 1ckk h PHE 68 Ca -0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.69 1ckk h PHE 68 Cb 1.10 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.82 1ckk h PHE 68 CO 0.03 -0.12 0.40 -0.07 -2.23 0.00 0.00 178.31 176.32 1ckk h LEU 69 N -1.06 0.37 -0.92 0.59 3.38 -1.57 0.30 115.31 116.38 1ckk h LEU 69 Ca -0.03 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1ckk h LEU 69 Cb 0.33 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ckk h LEU 69 CO 0.06 0.05 -0.53 0.74 0.09 0.00 0.00 178.44 178.84 1ckk h THR 70 N 0.45 1.38 0.48 0.22 2.02 -1.55 -3.13 112.91 112.78 1ckk h THR 70 Ca 0.53 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 1ckk h THR 70 Cb 0.96 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1ckk h THR 70 CO -0.49 0.52 -0.23 -0.03 0.37 0.00 0.00 175.52 175.66 1ckk h MET 71 N 0.01 -0.62 0.00 6.66 -1.53 0.32 -2.78 114.93 116.99 1ckk h MET 71 Ca -0.00 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1ckk h MET 71 Cb 0.95 0.14 0.00 0.00 -0.55 0.00 0.00 31.60 32.14 1ckk h MET 71 CO 0.07 -0.41 0.37 0.52 0.14 0.00 0.00 176.91 177.60 1ckk h MET 72 N -0.80 0.00 0.00 0.39 2.07 -1.54 0.45 114.93 115.50 1ckk h MET 72 Ca -0.07 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.55 1ckk h MET 72 Cb 0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1ckk h MET 72 CO 0.11 0.00 -0.06 0.00 1.07 0.00 0.00 176.91 178.03 1ckk h ALA 73 N 1.23 0.98 0.00 6.32 0.00 -1.43 -3.13 119.26 123.24 1ckk h ALA 73 Ca 0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1ckk h ALA 73 Cb 0.74 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1ckk h ALA 73 CO 0.00 0.08 -1.53 -2.13 0.00 0.00 0.00 179.25 175.66 1ckk n ARG 74 N -3.14 0.63 0.03 0.00 0.63 0.16 -3.96 116.66 111.00 1ckk n ARG 74 Ca 0.02 0.18 0.13 0.00 -0.92 0.00 0.00 57.85 57.26 1ckk n ARG 74 Cb 0.43 -1.76 0.51 0.00 0.45 0.00 0.00 32.46 32.08 1ckk n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ckk n LYS 75 N -2.84 0.08 -0.31 -0.14 4.76 -1.18 -3.21 118.16 115.33 1ckk n LYS 75 Ca -0.11 0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.50 1ckk n LYS 75 Cb 0.85 -1.59 0.29 0.00 -1.84 0.00 0.00 35.03 32.74 1ckk n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1ckk n MET 76 N -1.74 2.57 0.06 1.97 2.81 -1.19 -4.47 117.12 117.14 1ckk n MET 76 Ca 0.06 -2.42 -0.03 0.00 -1.81 0.00 0.00 57.70 53.51 1ckk n MET 76 Cb 0.37 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.34 1ckk n MET 76 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ckk h LYS 77 N 4.13 -0.16 0.00 0.03 3.64 -1.71 -3.48 116.57 119.01 1ckk h LYS 77 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ckk h LYS 77 Cb 0.93 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1ckk h LYS 77 CO 0.00 -0.11 0.00 -3.47 -2.27 0.00 0.00 179.45 173.60 1ckk n ASP 78 N -2.60 0.00 0.00 4.20 -0.08 -1.26 -5.04 116.55 111.77 1ckk n ASP 78 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1ckk n ASP 78 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 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 -0.26 0.00 -2.76 5.18 -2.24 -1.26 -4.08 114.28 108.85 1ckk n THR 79 Ca 0.00 1.20 -0.42 0.00 -2.27 0.00 0.00 64.05 62.56 1ckk n THR 79 Cb 0.00 -2.03 -0.04 0.00 -2.10 0.00 0.00 70.33 66.16 1ckk n THR 79 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ckk s ASP 80 N -2.35 6.17 0.00 3.42 1.01 -1.26 -4.70 116.67 118.96 1ckk s ASP 80 Ca 0.00 -0.83 0.00 0.00 0.71 0.00 0.00 52.55 52.43 1ckk s ASP 80 Cb 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1ckk s ASP 80 CO 0.00 -1.56 0.00 -1.20 0.21 0.00 0.00 175.17 172.62 1ckk n SER 81 N 8.22 3.29 -0.00 0.27 7.64 -1.26 -4.60 113.62 127.17 1ckk n SER 81 Ca -0.02 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.96 1ckk n SER 81 Cb 0.46 0.22 -0.13 0.00 -1.01 0.00 0.00 64.21 63.76 1ckk n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ckk n GLU 82 N -1.81 0.30 0.14 1.43 1.02 -1.26 -4.27 120.64 116.19 1ckk n GLU 82 Ca 0.00 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.13 1ckk n GLU 82 Cb 0.36 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.34 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ckk h GLU 83 N 0.00 0.00 0.00 3.49 4.81 -1.92 -3.10 114.58 117.87 1ckk h GLU 83 Ca 0.00 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 1ckk h GLU 83 Cb 0.58 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1ckk h GLU 83 CO 0.00 0.51 -0.66 0.93 -0.73 0.00 0.00 179.01 179.06 1ckk h GLU 84 N 0.00 0.00 0.06 1.92 5.08 -1.86 -3.13 114.58 116.65 1ckk h GLU 84 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1ckk h GLU 84 Cb 1.37 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.64 1ckk h GLU 84 CO 0.07 0.66 -1.13 0.82 -1.00 0.00 0.00 179.01 178.42 1ckk h ILE 85 N 0.00 1.30 -0.47 3.13 2.04 -1.75 -2.86 117.51 118.91 1ckk h ILE 85 Ca -0.01 -2.40 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 1ckk h ILE 85 Cb 1.41 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 40.01 1ckk h ILE 85 CO 0.09 0.73 0.14 -0.09 0.00 0.00 0.00 178.15 179.02 1ckk h ARG 86 N 0.31 0.68 -0.11 2.37 2.43 -1.59 -1.04 114.38 117.45 1ckk h ARG 86 Ca -0.15 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1ckk h ARG 86 Cb 1.79 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 31.22 1ckk h ARG 86 CO 0.22 0.60 -0.09 0.93 -1.51 0.00 0.00 179.97 180.12 1ckk h GLU 87 N 0.67 0.25 -0.34 0.20 4.39 -1.56 -2.68 114.58 115.51 1ckk h GLU 87 Ca 0.16 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ckk h GLU 87 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1ckk h GLU 87 CO -0.01 0.64 0.18 0.00 -1.16 0.00 0.00 179.01 178.66 1ckk h ALA 88 N 0.60 1.67 -0.34 3.43 0.00 -1.25 -2.15 119.26 121.22 1ckk h ALA 88 Ca 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1ckk h ALA 88 Cb 0.59 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ckk h ALA 88 CO 0.02 0.28 0.14 0.35 0.00 0.00 0.00 179.25 180.04 1ckk h PHE 89 N 0.47 0.51 0.00 0.00 3.57 -1.06 -1.92 116.94 118.52 1ckk h PHE 89 Ca 0.12 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 1ckk h PHE 89 Cb 0.03 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1ckk h PHE 89 CO 0.00 0.47 -0.13 0.00 -2.23 0.00 0.00 178.31 176.43 1ckk h ARG 90 N 0.40 0.00 0.75 1.11 3.08 -1.07 -2.70 114.38 115.96 1ckk h ARG 90 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1ckk h ARG 90 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ckk h ARG 90 CO -0.01 0.13 -0.36 0.28 -1.07 0.00 0.00 179.97 178.94 1ckk h VAL 91 N 0.00 0.11 -0.48 2.04 2.07 -0.79 -2.90 116.25 116.29 1ckk h VAL 91 Ca -0.00 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.40 1ckk h VAL 91 Cb 0.28 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1ckk h VAL 91 CO 0.02 0.01 0.33 -0.26 0.02 0.00 0.00 177.57 177.69 1ckk h PHE 92 N -1.20 0.26 -1.23 1.57 0.04 -1.40 -2.75 116.94 112.23 1ckk h PHE 92 Ca -0.10 0.01 -0.75 0.00 2.80 0.00 0.00 57.97 59.93 1ckk h PHE 92 Cb 0.79 -0.08 -0.13 0.00 2.20 0.00 0.00 35.95 38.72 1ckk h PHE 92 CO -0.00 0.13 2.32 -0.25 -0.60 0.00 0.00 178.31 179.91 1ckk n ASP 93 N -4.46 7.63 0.06 2.17 9.92 -1.03 -4.60 116.55 126.25 1ckk n ASP 93 Ca 0.08 -3.15 0.18 0.00 -0.53 0.00 0.00 54.79 51.36 1ckk n ASP 93 Cb 0.38 -1.37 0.47 0.00 -0.64 0.00 0.00 41.12 39.96 1ckk n ASP 93 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1ckk h LYS 94 N 4.75 0.00 0.00 -1.24 2.10 -1.56 0.62 116.57 121.24 1ckk h LYS 94 Ca 0.65 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.95 1ckk h LYS 94 Cb 0.35 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.62 1ckk h LYS 94 CO 1.49 0.00 -2.19 -0.40 -2.00 0.00 0.00 179.45 176.35 1ckk n ASP 95 N -3.14 0.48 -1.09 7.07 5.75 -1.26 -5.02 116.55 119.34 1ckk n ASP 95 Ca 0.11 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 1ckk n ASP 95 Cb 1.02 0.53 0.00 0.00 -1.03 0.00 0.00 41.12 41.64 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 1.74 0.53 0.01 6.12 0.00 0.21 -4.98 105.19 108.83 1ckk n GLY 96 Ca -0.29 -0.44 0.11 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 -1.09 0.58 0.00 1.61 6.94 -1.26 -4.96 115.26 117.08 1ckk n ASN 97 Ca 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 54.58 54.11 1ckk n ASN 97 Cb 0.50 1.21 0.00 0.00 -2.36 0.00 0.00 39.78 39.13 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 1.39 0.98 3.41 4.83 0.00 -1.26 -5.08 105.19 109.46 1ckk n GLY 98 Ca 0.01 -0.03 -0.13 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 -2.00 -0.48 -0.06 1.61 2.02 -1.26 -4.69 117.35 112.49 1ckk s TYR 99 Ca 0.00 0.43 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 1ckk s TYR 99 Cb 0.00 0.43 0.01 0.00 -0.40 0.00 0.00 41.96 42.00 1ckk s TYR 99 CO 0.00 -0.73 -0.13 0.42 -1.57 0.00 0.00 175.55 173.54 1ckk s ILE 100 N -3.01 1.17 0.14 2.71 1.01 -0.59 -4.78 121.20 117.85 1ckk s ILE 100 Ca -0.02 -0.51 0.10 0.00 0.00 0.00 0.00 60.65 60.21 1ckk s ILE 100 Cb -0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1ckk s ILE 100 CO -0.06 0.36 -0.18 -0.55 0.00 0.00 0.00 174.94 174.51 1ckk s SER 101 N 0.57 3.84 0.59 3.58 0.15 -1.26 -2.21 113.70 118.97 1ckk s SER 101 Ca -0.13 -0.63 0.32 0.00 0.70 0.00 0.00 55.95 56.21 1ckk s SER 101 Cb -0.15 -0.50 1.23 0.00 -1.71 0.00 0.00 66.02 64.88 1ckk s SER 101 CO 0.04 0.15 1.50 0.00 1.20 0.00 0.00 173.24 176.13 1ckk h ALA 102 N 3.49 3.00 -0.14 5.45 0.00 -1.95 0.78 119.26 129.90 1ckk h ALA 102 Ca -0.49 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1ckk h ALA 102 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ckk h ALA 102 CO 0.47 -1.66 -0.42 0.00 0.00 0.00 0.00 179.25 177.64 1ckk h ALA 103 N 0.86 0.24 -0.24 0.00 0.00 -1.99 -2.38 119.26 115.76 1ckk h ALA 103 Ca 0.53 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ckk h ALA 103 Cb 2.71 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 20.45 1ckk h ALA 103 CO -0.01 0.36 -0.03 0.93 0.00 0.00 0.00 179.25 180.50 1ckk h GLU 104 N 0.16 0.36 -0.20 0.00 5.08 0.26 -2.14 114.58 118.10 1ckk h GLU 104 Ca -0.01 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1ckk h GLU 104 Cb 1.04 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ckk h GLU 104 CO 0.09 0.42 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.12 1ckk h LEU 105 N 0.35 0.64 -2.07 1.33 3.38 -1.40 -2.57 115.31 114.97 1ckk h LEU 105 Ca 0.08 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1ckk h LEU 105 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ckk h LEU 105 CO 0.01 1.04 -0.08 -0.09 0.09 0.00 0.00 178.44 179.41 1ckk h ARG 106 N 0.25 0.00 -0.06 1.13 2.43 -1.09 0.13 114.38 117.18 1ckk h ARG 106 Ca 0.02 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.93 1ckk h ARG 106 Cb 0.91 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.48 1ckk h ARG 106 CO 0.07 0.08 -0.95 1.25 -1.51 0.00 0.00 179.97 178.92 1ckk h HIS 107 N 0.00 1.06 0.02 2.20 2.76 -1.16 -3.13 115.15 116.90 1ckk h HIS 107 Ca -0.00 -0.53 -0.22 0.00 -2.20 0.00 0.00 60.37 57.42 1ckk h HIS 107 Cb 0.20 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 1ckk h HIS 107 CO 0.00 1.37 -0.95 -0.24 -1.30 0.00 0.00 177.93 176.81 1ckk h VAL 108 N 0.45 1.49 0.02 5.26 3.04 -1.00 -3.19 116.25 122.32 1ckk h VAL 108 Ca -0.10 -2.70 -0.00 0.00 -1.01 0.00 0.00 66.70 62.89 1ckk h VAL 108 Cb 1.59 2.55 -0.00 0.00 -2.01 0.00 0.00 31.29 33.42 1ckk h VAL 108 CO 0.19 0.79 -0.02 0.24 -1.01 0.00 0.00 177.57 177.76 1ckk h MET 109 N 0.12 -0.04 -1.11 4.17 2.07 -0.78 1.41 114.93 120.77 1ckk h MET 109 Ca -0.06 0.00 0.32 0.00 -2.07 0.00 0.00 59.70 57.89 1ckk h MET 109 Cb 1.61 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 31.30 1ckk h MET 109 CO 0.15 -0.03 0.86 1.15 1.07 0.00 0.00 176.91 180.11 1ckk h THR 110 N -0.04 0.35 0.00 2.22 2.02 -1.56 2.00 112.91 117.91 1ckk h THR 110 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ckk h THR 110 Cb 0.04 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1ckk h THR 110 CO -0.00 0.00 -0.47 0.78 0.37 0.00 0.00 175.52 176.20 1ckk h ASN 111 N 0.00 0.00 0.42 4.18 4.21 -1.21 -3.32 115.58 119.86 1ckk h ASN 111 Ca 0.53 -0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.79 1ckk h ASN 111 Cb 2.23 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 39.40 1ckk h ASN 111 CO -0.01 0.04 -1.73 0.18 -1.29 0.00 0.00 177.43 174.62 1ckk n LEU 112 N -2.50 0.50 0.00 1.61 4.77 0.65 -4.24 117.00 117.79 1ckk n LEU 112 Ca 0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1ckk n LEU 112 Cb 0.49 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1ckk n LEU 112 CO 0.36 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1ckk n GLY 113 N 1.44 3.30 3.54 -0.72 0.00 0.35 -5.04 105.19 108.06 1ckk n GLY 113 Ca -0.13 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 1.91 -0.51 1.61 2.12 -1.23 -4.86 118.70 117.74 1ckk s GLU 114 Ca 0.00 -1.58 0.06 0.00 0.36 0.00 0.00 54.97 53.81 1ckk s GLU 114 Cb 0.00 -1.95 0.22 0.00 0.26 0.00 0.00 34.13 32.66 1ckk s GLU 114 CO 0.00 0.36 0.54 1.17 -0.54 0.00 0.00 175.26 176.79 1ckk n LYS 115 N -0.57 1.27 -0.80 4.30 0.00 -1.26 -3.40 118.16 117.70 1ckk n LYS 115 Ca -0.07 -3.81 -0.26 0.00 0.00 0.00 0.00 58.31 54.18 1ckk n LYS 115 Cb 0.59 -1.76 0.01 0.00 0.00 0.00 0.00 35.03 33.87 1ckk n LYS 115 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ckk n LEU 116 N 1.65 -3.12 0.00 3.14 4.32 -1.26 -4.93 117.00 116.81 1ckk n LEU 116 Ca 0.25 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1ckk n LEU 116 Cb 0.46 -0.56 0.00 0.00 -1.62 0.00 0.00 43.42 41.70 1ckk n LEU 116 CO 0.23 -3.61 0.00 0.41 -1.22 0.00 0.00 177.39 173.21 1ckk n THR 117 N -1.28 0.00 -0.01 -5.08 -1.04 -1.26 -4.73 114.28 100.88 1ckk n THR 117 Ca 0.03 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.03 1ckk n THR 117 Cb 0.35 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.28 -0.32 8.00 8.00 -1.26 -3.78 116.55 127.48 1ckk n ASP 118 Ca 0.00 0.08 0.09 0.00 0.71 0.00 0.00 54.79 55.67 1ckk n ASP 118 Cb 0.00 -0.54 0.21 0.00 -0.02 0.00 0.00 41.12 40.77 1ckk n ASP 118 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ckk h GLU 119 N -0.15 0.03 -0.18 -1.24 4.81 -1.98 0.78 114.58 116.66 1ckk h GLU 119 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ckk h GLU 119 Cb 0.14 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1ckk h GLU 119 CO 0.00 0.02 0.11 0.93 -0.73 0.00 0.00 179.01 179.34 1ckk h GLU 120 N 0.03 0.24 -0.58 1.92 4.39 -1.94 0.24 114.58 118.89 1ckk h GLU 120 Ca 0.50 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.10 1ckk h GLU 120 Cb 0.93 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1ckk h GLU 120 CO -0.86 0.19 0.03 0.28 -1.16 0.00 0.00 179.01 177.49 1ckk h VAL 121 N 0.22 1.26 0.29 3.13 2.07 -0.46 -1.78 116.25 120.97 1ckk h VAL 121 Ca 0.06 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1ckk h VAL 121 Cb 0.01 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1ckk h VAL 121 CO -0.01 0.39 -0.14 -0.78 0.02 0.00 0.00 177.57 177.05 1ckk h ASP 122 N 0.91 -0.33 -0.82 0.57 1.82 0.72 -2.72 116.42 116.57 1ckk h ASP 122 Ca 0.17 0.01 0.24 0.00 -0.39 0.00 0.00 57.03 57.06 1ckk h ASP 122 Cb 0.49 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.55 1ckk h ASP 122 CO 0.02 -0.14 0.85 -0.33 -1.61 0.00 0.00 179.24 178.03 1ckk h GLU 123 N -0.57 0.00 0.49 0.28 5.08 -0.59 0.64 114.58 119.90 1ckk h GLU 123 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ckk h GLU 123 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ckk h GLU 123 CO 0.06 0.00 -0.23 1.98 -1.00 0.00 0.00 179.01 179.82 1ckk h MET 124 N 0.00 -0.63 0.05 2.33 4.05 -1.09 -1.47 114.93 118.16 1ckk h MET 124 Ca 0.39 0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.85 1ckk h MET 124 Cb 2.08 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 33.02 1ckk h MET 124 CO -0.00 -0.33 -0.02 0.82 0.23 0.00 0.00 176.91 177.61 1ckk h ILE 125 N -0.98 1.01 -0.34 1.77 1.08 -0.61 -1.58 117.51 117.87 1ckk h ILE 125 Ca -0.07 -0.17 0.10 0.00 -0.39 0.00 0.00 64.86 64.33 1ckk h ILE 125 Cb 0.60 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1ckk h ILE 125 CO 0.11 0.04 0.36 -0.09 -0.69 0.00 0.00 178.15 177.89 1ckk h ARG 126 N -0.14 0.00 -0.17 2.37 2.43 -1.37 -0.25 114.38 117.25 1ckk h ARG 126 Ca -0.01 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 1ckk h ARG 126 Cb 0.12 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ckk h ARG 126 CO 0.01 0.00 -0.27 1.49 -1.51 0.00 0.00 179.97 179.69 1ckk h GLU 127 N 0.00 0.48 -0.06 0.20 4.22 -0.24 -3.16 114.58 116.01 1ckk h GLU 127 Ca 0.16 -0.29 -0.13 0.00 0.08 0.00 0.00 59.36 59.18 1ckk h GLU 127 Cb 0.88 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1ckk h GLU 127 CO -0.00 0.89 -0.57 0.00 -2.18 0.00 0.00 179.01 177.15 1ckk h ALA 128 N 0.59 0.94 -0.09 2.92 0.00 -0.84 -3.39 119.26 119.38 1ckk h ALA 128 Ca 0.01 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ckk h ALA 128 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ckk h ALA 128 CO 0.06 0.70 0.16 -0.25 0.00 0.00 0.00 179.25 179.92 1ckk n ASP 129 N -3.89 0.87 0.07 0.00 8.00 -0.47 -4.63 116.55 116.50 1ckk n ASP 129 Ca -0.02 -2.26 -0.17 0.00 0.71 0.00 0.00 54.79 53.05 1ckk n ASP 129 Cb 0.59 -1.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.03 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 6.81 1.35 0.03 0.53 2.04 -1.85 -3.26 117.51 123.15 1ckk h ILE 130 Ca 0.00 -2.42 -0.21 0.00 1.00 0.00 0.00 64.86 63.22 1ckk h ILE 130 Cb 1.00 2.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1ckk h ILE 130 CO 1.01 0.73 -0.99 -2.24 0.00 0.00 0.00 178.15 176.66 1ckk h ASP 131 N 0.28 0.13 -0.66 1.72 2.03 -1.95 -3.48 116.42 114.49 1ckk h ASP 131 Ca -0.12 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.06 1ckk h ASP 131 Cb 1.70 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 40.16 1ckk h ASP 131 CO 0.19 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 180.05 1ckk n GLY 132 N 1.20 0.72 0.00 7.15 0.00 -1.23 -5.04 105.19 107.98 1ckk n GLY 132 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.27 1.90 0.00 1.61 5.68 -1.26 -5.01 116.55 119.20 1ckk n ASP 133 Ca 0.00 -0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 1ckk n ASP 133 Cb 0.11 0.78 0.00 0.00 -1.14 0.00 0.00 41.12 40.87 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 1.35 0.72 3.80 6.12 0.00 -1.26 -5.04 105.19 110.88 1ckk n GLY 134 Ca 0.00 -0.40 -0.05 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 -0.85 1.49 0.39 1.61 -2.07 -1.26 -4.76 119.66 114.21 1ckk s GLN 135 Ca 0.00 -0.82 0.08 0.00 -1.82 0.00 0.00 55.36 52.80 1ckk s GLN 135 Cb 0.00 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 1ckk s GLN 135 CO 0.00 -0.68 0.18 0.08 -1.32 0.00 0.00 175.29 173.55 1ckk s VAL 136 N -3.61 2.56 0.00 3.63 1.01 -0.94 -4.60 120.40 118.46 1ckk s VAL 136 Ca 0.11 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1ckk s VAL 136 Cb -0.04 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1ckk s VAL 136 CO 0.04 -0.06 0.00 -0.46 0.00 0.00 0.00 175.10 174.62 1ckk n ASN 137 N -1.23 0.00 0.01 3.32 6.94 -1.26 -1.55 115.26 121.49 1ckk n ASN 137 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.54 1ckk n ASN 137 Cb 0.63 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.05 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 0.00 -0.04 -0.23 -2.53 5.03 -2.00 -2.66 116.97 114.55 1ckk h TYR 138 Ca 0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1ckk h TYR 138 Cb 0.00 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.24 1ckk h TYR 138 CO 0.00 -0.02 -0.34 1.49 -1.32 0.00 0.00 178.16 177.96 1ckk h GLU 139 N -0.07 -0.25 -0.87 1.82 4.81 -1.98 -1.88 114.58 116.16 1ckk h GLU 139 Ca -0.00 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1ckk h GLU 139 Cb 0.03 0.06 -0.13 0.00 0.63 0.00 0.00 28.75 29.34 1ckk h GLU 139 CO 0.01 -0.17 -0.49 1.49 -0.73 0.00 0.00 179.01 179.12 1ckk h GLU 140 N -0.26 -0.07 -0.96 1.92 4.81 -1.93 2.25 114.58 120.34 1ckk h GLU 140 Ca 0.04 0.00 0.28 0.00 -0.13 0.00 0.00 59.36 59.55 1ckk h GLU 140 Cb 0.37 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1ckk h GLU 140 CO -0.35 -0.05 0.75 0.35 -0.73 0.00 0.00 179.01 178.98 1ckk h PHE 141 N -0.07 0.00 0.00 0.92 3.04 -0.98 -1.42 116.94 118.43 1ckk h PHE 141 Ca 0.22 0.00 -0.39 0.00 3.98 0.00 0.00 57.97 61.78 1ckk h PHE 141 Cb 0.51 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.95 1ckk h PHE 141 CO -0.89 0.00 -2.46 0.28 -2.02 0.00 0.00 178.31 173.21 1ckk n VAL 142 N -4.05 1.47 -0.04 1.41 0.31 0.43 -3.79 118.33 114.08 1ckk n VAL 142 Ca 0.20 -0.62 0.09 0.00 -0.01 0.00 0.00 64.34 64.00 1ckk n VAL 142 Cb 1.08 -1.26 0.47 0.00 -0.91 0.00 0.00 33.84 33.22 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 0.44 0.00 5.55 -0.00 0.40 -0.23 115.11 121.27 1ckk h GLN 143 Ca -0.57 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.05 1ckk h GLN 143 Cb 1.96 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 29.34 1ckk h GLN 143 CO -0.07 0.29 -0.76 1.98 0.00 0.00 0.00 178.83 180.27 1ckk h MET 144 N 0.45 0.00 -0.00 1.69 4.05 -1.50 -3.13 114.93 116.49 1ckk h MET 144 Ca 0.22 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1ckk h MET 144 Cb 0.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1ckk h MET 144 CO -0.06 0.00 -0.62 -0.12 0.23 0.00 0.00 176.91 176.34 1ckk n MET 145 N -2.53 0.04 0.00 0.39 1.56 -0.56 -4.63 117.12 111.39 1ckk n MET 145 Ca 0.02 -0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 1ckk n MET 145 Cb 0.51 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.38 1ckk n MET 145 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1ckk n THR 146 N -1.46 0.00 0.00 1.12 -2.24 -0.21 -5.07 114.28 106.43 1ckk n THR 146 Ca 0.05 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1ckk n THR 146 Cb 0.34 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ckk n ALA 147 N -2.47 0.00 -0.01 6.98 0.00 -1.18 -5.11 120.51 118.72 1ckk n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ckk n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67