#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 5.43 -3.87 0.00 5.75 -1.26 -4.87 116.55 117.72 1ckk n ASP 2 Ca 0.00 -3.75 -0.42 0.00 -0.01 0.00 0.00 54.79 50.60 1ckk n ASP 2 Cb 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 41.12 39.59 1ckk n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ckk n GLN 3 N -0.65 4.83 -3.55 0.11 10.64 -1.26 -4.91 117.38 122.59 1ckk n GLN 3 Ca 0.46 -4.60 -0.22 0.00 -1.83 0.00 0.00 57.00 50.81 1ckk n GLN 3 Cb 0.77 -2.50 -0.15 0.00 -0.86 0.00 0.00 30.24 27.51 1ckk n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1ckk s LEU 4 N -3.34 0.13 0.00 2.61 1.43 -1.26 -5.04 118.68 113.21 1ckk s LEU 4 Ca 0.34 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1ckk s LEU 4 Cb 0.10 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.37 1ckk s LEU 4 CO 0.03 -0.34 0.00 0.35 0.23 0.00 0.00 176.35 176.62 1ckk n THR 5 N 5.30 0.00 0.23 5.49 -2.24 -1.26 -5.01 114.28 116.79 1ckk n THR 5 Ca -0.06 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 1ckk n THR 5 Cb 0.49 -0.24 0.43 0.00 -2.10 0.00 0.00 70.33 68.91 1ckk n THR 5 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ckk h GLU 6 N 0.00 0.00 0.08 -0.78 4.81 -2.00 -3.17 114.58 113.52 1ckk h GLU 6 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ckk h GLU 6 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ckk h GLU 6 CO 0.00 0.13 -0.04 1.49 -0.73 0.00 0.00 179.01 179.86 1ckk h GLU 7 N 0.00 -0.10 -0.63 1.92 4.81 -1.99 -0.87 114.58 117.71 1ckk h GLU 7 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1ckk h GLU 7 Cb 0.78 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.07 1ckk h GLU 7 CO 0.02 -0.07 -0.34 1.96 -0.73 0.00 0.00 179.01 179.85 1ckk h GLN 8 N -0.15 -0.14 -0.88 1.92 4.20 -1.97 0.57 115.11 118.67 1ckk h GLN 8 Ca -0.01 0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.88 1ckk h GLN 8 Cb 0.08 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 27.79 1ckk h GLN 8 CO 0.02 -0.09 0.44 0.82 -0.67 0.00 0.00 178.83 179.35 1ckk h ILE 9 N -0.15 0.66 -0.72 2.54 2.04 -1.61 0.18 117.51 120.44 1ckk h ILE 9 Ca 0.24 -0.20 0.14 0.00 1.00 0.00 0.00 64.86 66.05 1ckk h ILE 9 Cb 0.55 0.03 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 1ckk h ILE 9 CO -0.71 0.10 0.22 0.00 0.00 0.00 0.00 178.15 177.77 1ckk h ALA 10 N 1.61 0.96 -0.27 1.87 0.00 0.16 0.72 119.26 124.31 1ckk h ALA 10 Ca 0.50 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.58 1ckk h ALA 10 Cb 0.79 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1ckk h ALA 10 CO -0.41 -0.28 0.07 0.93 0.00 0.00 0.00 179.25 179.56 1ckk h GLU 11 N 0.34 0.18 -0.57 0.00 5.08 -0.23 -0.71 114.58 118.67 1ckk h GLU 11 Ca 0.40 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.84 1ckk h GLU 11 Cb 0.64 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 1ckk h GLU 11 CO -0.45 0.12 0.19 0.74 -1.00 0.00 0.00 179.01 178.61 1ckk h PHE 12 N 0.18 0.33 -0.44 4.33 0.04 -0.61 0.19 116.94 120.96 1ckk h PHE 12 Ca 0.12 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.95 1ckk h PHE 12 Cb 0.11 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1ckk h PHE 12 CO -0.15 0.07 0.22 -0.22 -0.60 0.00 0.00 178.31 177.63 1ckk h LYS 13 N 0.36 0.43 -0.51 1.51 3.64 -0.32 0.19 116.57 121.86 1ckk h LYS 13 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1ckk h LYS 13 Cb 0.36 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1ckk h LYS 13 CO -0.31 0.28 0.34 0.93 -2.27 0.00 0.00 179.45 178.42 1ckk h GLU 14 N 0.44 0.68 -0.46 1.90 4.39 0.29 -0.58 114.58 121.23 1ckk h GLU 14 Ca 0.19 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ckk h GLU 14 Cb 0.09 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1ckk h GLU 14 CO -0.13 0.45 0.28 0.00 -1.16 0.00 0.00 179.01 178.46 1ckk h ALA 15 N 1.18 0.59 0.00 3.43 0.00 0.10 0.41 119.26 124.98 1ckk h ALA 15 Ca 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ckk h ALA 15 Cb -0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1ckk h ALA 15 CO -0.04 0.08 -0.03 0.35 0.00 0.00 0.00 179.25 179.60 1ckk h PHE 16 N 0.62 0.00 0.04 0.00 3.57 -0.15 -2.64 116.94 118.39 1ckk h PHE 16 Ca 0.17 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.49 1ckk h PHE 16 Cb -0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1ckk h PHE 16 CO -0.03 0.03 -0.95 0.77 -2.23 0.00 0.00 178.31 175.90 1ckk h SER 17 N 0.00 0.14 -0.96 0.41 0.02 0.57 -2.16 113.55 111.58 1ckk h SER 17 Ca -0.00 -0.77 0.25 0.00 -0.84 0.00 0.00 61.79 60.42 1ckk h SER 17 Cb 0.17 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 62.54 1ckk h SER 17 CO 0.00 1.40 0.51 0.25 -1.14 0.00 0.00 176.83 177.85 1ckk h LEU 18 N -0.74 0.51 0.10 5.07 6.46 0.07 -1.04 115.31 125.73 1ckk h LEU 18 Ca -0.23 0.15 -0.13 0.00 -0.12 0.00 0.00 57.88 57.55 1ckk h LEU 18 Cb 1.39 0.09 0.02 0.00 -0.73 0.00 0.00 40.66 41.42 1ckk h LEU 18 CO -0.05 0.02 -0.57 -0.26 -0.62 0.00 0.00 178.44 176.96 1ckk h PHE 19 N 0.47 0.39 -2.64 1.25 0.04 -1.61 -3.42 116.94 111.42 1ckk h PHE 19 Ca 0.62 -0.28 -0.55 0.00 2.80 0.00 0.00 57.97 60.57 1ckk h PHE 19 Cb 1.23 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.28 1ckk h PHE 19 CO -0.06 1.21 1.00 0.34 -0.60 0.00 0.00 178.31 180.21 1ckk s ASP 20 N -6.74 6.25 0.00 2.17 2.15 -0.39 -4.49 116.67 115.61 1ckk s ASP 20 Ca -0.15 -0.30 0.23 0.00 0.43 0.00 0.00 52.55 52.75 1ckk s ASP 20 Cb -0.00 -2.55 0.49 0.00 -0.30 0.00 0.00 42.92 40.56 1ckk s ASP 20 CO 0.79 -1.71 1.43 1.17 -0.17 0.00 0.00 175.17 176.68 1ckk n LYS 21 N 9.00 2.29 -0.09 4.34 3.00 -1.26 -4.25 118.16 131.19 1ckk n LYS 21 Ca 0.04 -1.94 -0.17 0.00 -0.00 0.00 0.00 58.31 56.24 1ckk n LYS 21 Cb 0.49 -1.48 -0.13 0.00 0.00 0.00 0.00 35.03 33.91 1ckk n LYS 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckk n ASP 22 N 1.18 1.64 0.00 3.14 8.00 -1.26 -5.01 116.55 124.24 1ckk n ASP 22 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1ckk n ASP 22 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1ckk n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ckk n GLY 23 N 2.07 1.46 0.01 0.44 0.00 -1.26 -4.98 105.19 102.93 1ckk n GLY 23 Ca -0.39 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 0.47 0.73 0.00 1.61 5.68 -1.26 -4.98 116.55 118.79 1ckk n ASP 24 Ca 0.00 -0.28 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 1ckk n ASP 24 Cb 0.09 1.61 0.00 0.00 -1.14 0.00 0.00 41.12 41.68 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 1.43 0.86 2.74 6.12 0.00 -1.26 -5.07 105.19 110.01 1ckk n GLY 25 Ca -0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 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 0.09 -0.36 2.61 -4.23 -1.25 -3.97 115.64 106.53 1ckk s THR 26 Ca 0.00 0.26 -0.22 0.00 -1.18 0.00 0.00 61.69 60.55 1ckk s THR 26 Cb 0.00 -0.28 0.01 0.00 1.34 0.00 0.00 72.50 73.57 1ckk s THR 26 CO 0.00 0.19 0.70 -0.63 -0.54 0.00 0.00 174.62 174.34 1ckk s ILE 27 N 1.80 4.82 0.29 2.99 1.01 -0.82 -4.78 121.20 126.51 1ckk s ILE 27 Ca 0.01 0.72 -0.03 0.00 0.00 0.00 0.00 60.65 61.35 1ckk s ILE 27 Cb -0.12 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 1ckk s ILE 27 CO -0.03 -0.36 0.52 0.42 0.00 0.00 0.00 174.94 175.49 1ckk s THR 28 N 2.88 5.07 0.63 2.92 -4.23 -1.26 -2.22 115.64 119.43 1ckk s THR 28 Ca 0.27 -0.12 0.31 0.00 -1.18 0.00 0.00 61.69 60.98 1ckk s THR 28 Cb -0.14 -3.76 0.35 0.00 1.34 0.00 0.00 72.50 70.29 1ckk s THR 28 CO 0.16 -0.35 2.02 0.71 -0.54 0.00 0.00 174.62 176.62 1ckk h THR 29 N 1.26 0.20 -0.14 3.99 1.35 -1.97 -0.45 112.91 117.14 1ckk h THR 29 Ca -0.48 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1ckk h THR 29 Cb 1.20 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1ckk h THR 29 CO 0.65 0.00 -0.43 0.50 -0.25 0.00 0.00 175.52 176.00 1ckk h LYS 30 N 0.00 0.54 0.53 4.72 3.11 -1.97 -2.07 116.57 121.43 1ckk h LYS 30 Ca 0.07 -0.39 -0.03 0.00 -2.81 0.00 0.00 60.65 57.49 1ckk h LYS 30 Cb 0.64 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 31.94 1ckk h LYS 30 CO -0.00 1.01 -0.25 0.93 -2.81 0.00 0.00 179.45 178.33 1ckk h GLU 31 N 0.17 -0.68 -0.84 1.90 5.08 -1.38 -2.02 114.58 116.80 1ckk h GLU 31 Ca -0.01 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 1ckk h GLU 31 Cb 1.05 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 1ckk h GLU 31 CO 0.09 -0.38 0.55 1.25 -1.00 0.00 0.00 179.01 179.52 1ckk h LEU 32 N -0.93 0.59 -0.79 1.33 5.85 -1.59 0.31 115.31 120.08 1ckk h LEU 32 Ca -0.07 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1ckk h LEU 32 Cb 0.62 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1ckk h LEU 32 CO 0.12 0.31 0.38 1.23 -0.34 0.00 0.00 178.44 180.15 1ckk h GLY 33 N 0.63 1.21 0.86 3.75 0.00 -1.16 -1.29 103.07 107.07 1ckk h GLY 33 Ca 0.41 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1ckk h GLY 33 CO -0.17 0.57 -0.17 -0.84 0.00 0.00 0.00 176.54 175.93 1ckk h THR 34 N 1.11 0.64 0.18 4.70 2.02 -0.19 0.29 112.91 121.67 1ckk h THR 34 Ca 0.27 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.46 1ckk h THR 34 Cb 0.11 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1ckk h THR 34 CO -0.04 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 176.21 1ckk h VAL 35 N -0.39 0.52 -0.95 3.16 2.07 -1.27 -1.58 116.25 117.81 1ckk h VAL 35 Ca -0.01 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.70 1ckk h VAL 35 Cb 0.35 0.52 -0.11 0.00 -1.52 0.00 0.00 31.29 30.52 1ckk h VAL 35 CO -0.01 0.00 0.54 0.24 0.02 0.00 0.00 177.57 178.36 1ckk h MET 36 N -0.45 0.64 0.00 1.57 2.86 -1.05 0.66 114.93 119.16 1ckk h MET 36 Ca 0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1ckk h MET 36 Cb 0.44 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1ckk h MET 36 CO -0.08 0.43 -0.11 0.00 1.06 0.00 0.00 176.91 178.21 1ckk h ARG 37 N 0.66 0.00 0.03 1.72 3.08 0.00 -2.35 114.38 117.52 1ckk h ARG 37 Ca 0.55 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.60 1ckk h ARG 37 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1ckk h ARG 37 CO -0.41 0.11 -0.01 0.77 -1.07 0.00 0.00 179.97 179.36 1ckk h SER 38 N 0.00 -0.03 -1.15 7.04 0.02 0.10 -3.32 113.55 116.21 1ckk h SER 38 Ca -0.00 -0.04 0.37 0.00 -0.84 0.00 0.00 61.79 61.27 1ckk h SER 38 Cb 0.23 0.01 -0.13 0.00 0.14 0.00 0.00 62.40 62.65 1ckk h SER 38 CO 0.01 0.48 0.71 -0.07 -1.14 0.00 0.00 176.83 176.83 1ckk h LEU 39 N -1.01 0.37 0.00 5.07 3.38 -1.29 -3.44 115.31 118.39 1ckk h LEU 39 Ca -0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ckk h LEU 39 Cb 0.07 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ckk h LEU 39 CO 0.01 -0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1ckk n GLY 40 N -1.42 0.28 0.00 0.83 0.00 -1.09 -4.95 105.19 98.83 1ckk n GLY 40 Ca 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ckk n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ckk n GLN 41 N 0.00 0.00 -2.81 1.61 3.00 -0.90 -5.03 117.38 113.25 1ckk n GLN 41 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1ckk n GLN 41 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.31 1ckk n GLN 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ckk n ASN 42 N -2.07 -1.46 -4.73 1.08 4.13 -1.26 -4.62 115.26 106.32 1ckk n ASN 42 Ca 0.00 -3.31 -0.41 0.00 1.68 0.00 0.00 54.58 52.54 1ckk n ASN 42 Cb 0.00 1.16 -0.05 0.00 -1.54 0.00 0.00 39.78 39.35 1ckk n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ckk s PRO 43 N -0.44 4.71 0.35 3.52 0.04 -1.26 -5.06 135.00 136.87 1ckk s PRO 43 Ca 0.26 1.43 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1ckk s PRO 43 Cb 0.33 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 1ckk s PRO 43 CO -0.06 0.28 0.52 0.99 0.04 0.00 0.00 177.00 178.77 1ckk s THR 44 N -0.25 4.40 0.20 1.26 2.01 -1.26 -4.86 115.64 117.15 1ckk s THR 44 Ca 0.45 -0.78 -0.21 0.00 0.31 0.00 0.00 61.69 61.46 1ckk s THR 44 Cb -0.24 -3.57 0.14 0.00 0.01 0.00 0.00 72.50 68.84 1ckk s THR 44 CO 0.30 -0.29 1.57 -0.33 -0.69 0.00 0.00 174.62 175.17 1ckk h GLU 45 N 0.78 -0.10 0.29 4.92 5.08 -1.97 0.11 114.58 123.69 1ckk h GLU 45 Ca -0.48 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1ckk h GLU 45 Cb 1.25 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1ckk h GLU 45 CO 0.57 -0.07 -0.30 0.00 -1.00 0.00 0.00 179.01 178.22 1ckk h ALA 46 N 1.04 -0.62 -0.84 3.43 0.00 -2.00 -1.99 119.26 118.29 1ckk h ALA 46 Ca 0.26 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.28 1ckk h ALA 46 Cb 0.56 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 1ckk h ALA 46 CO -0.82 -0.88 0.26 0.93 0.00 0.00 0.00 179.25 178.74 1ckk h GLU 47 N -0.62 0.27 -0.73 0.00 5.08 -1.45 0.34 114.58 117.48 1ckk h GLU 47 Ca -0.01 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.41 1ckk h GLU 47 Cb 0.57 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1ckk h GLU 47 CO -0.07 0.18 0.40 -0.07 -1.00 0.00 0.00 179.01 178.46 1ckk h LEU 48 N 0.28 0.58 -0.90 1.33 3.38 -0.13 -0.57 115.31 119.28 1ckk h LEU 48 Ca 0.51 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.62 1ckk h LEU 48 Cb 0.95 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 1ckk h LEU 48 CO -0.57 0.35 0.54 -0.61 0.09 0.00 0.00 178.44 178.24 1ckk h GLN 49 N 0.71 0.85 -0.73 1.13 5.75 0.17 0.68 115.11 123.67 1ckk h GLN 49 Ca 0.34 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.82 1ckk h GLN 49 Cb 0.28 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1ckk h GLN 49 CO -0.22 0.56 0.47 0.22 -2.65 0.00 0.00 178.83 177.21 1ckk h ASP 50 N 0.88 0.78 -0.00 -0.69 1.82 -0.75 -0.74 116.42 117.71 1ckk h ASP 50 Ca 0.44 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 57.06 1ckk h ASP 50 Cb 0.42 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1ckk h ASP 50 CO -0.26 0.55 -0.05 0.24 -1.61 0.00 0.00 179.24 178.11 1ckk h MET 51 N 0.92 0.04 -0.40 0.28 2.86 -0.70 -3.10 114.93 114.84 1ckk h MET 51 Ca 0.28 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.00 1ckk h MET 51 Cb -0.02 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1ckk h MET 51 CO -0.09 0.78 0.47 0.82 1.06 0.00 0.00 176.91 179.94 1ckk h ILE 52 N -0.68 0.32 -0.16 -1.22 1.08 0.44 0.20 117.51 117.49 1ckk h ILE 52 Ca -0.01 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1ckk h ILE 52 Cb 0.79 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1ckk h ILE 52 CO 0.01 0.00 0.11 0.78 -0.69 0.00 0.00 178.15 178.36 1ckk h ASN 53 N 0.00 0.07 0.74 1.72 -0.26 -1.05 1.86 115.58 118.65 1ckk h ASN 53 Ca 0.19 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.87 1ckk h ASN 53 Cb 1.12 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.36 1ckk h ASN 53 CO -0.00 0.05 -0.29 -0.33 -1.06 0.00 0.00 177.43 175.80 1ckk h GLU 54 N 0.08 0.00 0.00 0.81 3.07 -0.75 -3.26 114.58 114.53 1ckk h GLU 54 Ca 0.07 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.74 1ckk h GLU 54 Cb 0.20 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.07 1ckk h GLU 54 CO -0.01 0.29 -1.80 0.28 -1.40 0.00 0.00 179.01 176.37 1ckk n VAL 55 N -3.56 0.71 -0.96 3.13 0.31 -0.00 -4.78 118.33 113.18 1ckk n VAL 55 Ca -0.01 -0.48 -0.39 0.00 -0.01 0.00 0.00 64.34 63.45 1ckk n VAL 55 Cb 0.43 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.71 1ckk n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ckk n ASP 56 N -2.38 1.65 -0.01 4.52 2.03 0.61 -4.60 116.55 118.37 1ckk n ASP 56 Ca -0.17 -2.57 -0.06 0.00 0.52 0.00 0.00 54.79 52.51 1ckk n ASP 56 Cb 0.82 -0.94 0.13 0.00 -0.72 0.00 0.00 41.12 40.40 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 9.59 0.93 0.00 -1.67 0.00 -1.85 -2.92 119.26 123.33 1ckk h ALA 57 Ca 0.27 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ckk h ALA 57 Cb 0.75 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ckk h ALA 57 CO 1.82 0.62 -0.26 0.38 0.00 0.00 0.00 179.25 181.81 1ckk h ASP 58 N 0.48 0.00 0.00 0.00 3.04 -1.94 -3.47 116.42 114.52 1ckk h ASP 58 Ca 0.05 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 1ckk h ASP 58 Cb 0.81 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 1ckk h ASP 58 CO 0.07 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 1ckk n GLY 59 N 1.12 0.44 0.08 7.15 0.00 -1.11 -4.95 105.19 107.93 1ckk n GLY 59 Ca 0.03 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 1ckk n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1ckk h ASN 60 N 0.00 0.02 0.00 1.61 -1.07 -1.92 -3.48 115.58 110.74 1ckk h ASN 60 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.33 1ckk h ASN 60 Cb 0.61 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1ckk h ASN 60 CO 0.00 1.04 0.00 0.61 0.07 0.00 0.00 177.43 179.15 1ckk n GLY 61 N 1.56 2.01 3.63 9.14 0.00 -1.26 -5.08 105.19 115.20 1ckk n GLY 61 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.01 3.48 0.03 2.61 -4.23 -1.26 -4.48 115.64 109.79 1ckk s THR 62 Ca 0.00 -1.72 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1ckk s THR 62 Cb 0.00 -2.80 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1ckk s THR 62 CO 0.00 -0.24 0.34 -0.63 -0.54 0.00 0.00 174.62 173.54 1ckk s ILE 63 N -2.02 5.19 0.27 2.99 -1.09 -0.94 -4.78 121.20 120.82 1ckk s ILE 63 Ca 0.29 0.36 0.09 0.00 -2.23 0.00 0.00 60.65 59.15 1ckk s ILE 63 Cb -0.08 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1ckk s ILE 63 CO 0.18 0.36 0.08 -1.81 -1.23 0.00 0.00 174.94 172.52 1ckk s ASP 64 N -1.65 4.85 0.19 3.58 1.01 -1.26 -1.95 116.67 121.45 1ckk s ASP 64 Ca 0.29 -0.54 -0.12 0.00 0.71 0.00 0.00 52.55 52.88 1ckk s ASP 64 Cb -0.14 -0.99 0.22 0.00 1.01 0.00 0.00 42.92 43.02 1ckk s ASP 64 CO 0.16 -0.05 1.70 0.15 0.21 0.00 0.00 175.17 177.34 1ckk h PHE 65 N 1.72 0.10 -0.34 4.23 3.57 -1.99 -0.89 116.94 123.34 1ckk h PHE 65 Ca -0.45 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 60.95 1ckk h PHE 65 Cb 1.25 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1ckk h PHE 65 CO 0.64 -0.06 -0.28 -1.00 -2.23 0.00 0.00 178.31 175.38 1ckk h PRO 66 N 0.19 0.79 -0.60 6.41 0.13 -1.95 -2.82 132.00 134.14 1ckk h PRO 66 Ca 0.27 -0.40 0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1ckk h PRO 66 Cb 0.39 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.46 1ckk h PRO 66 CO -0.38 1.03 0.28 1.49 -0.23 0.00 0.00 178.00 180.19 1ckk h GLU 67 N 0.57 0.50 -0.25 0.86 4.81 -1.77 -2.05 114.58 117.24 1ckk h GLU 67 Ca 0.06 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ckk h GLU 67 Cb 0.86 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1ckk h GLU 67 CO 0.07 0.33 0.15 0.35 -0.73 0.00 0.00 179.01 179.19 1ckk h PHE 68 N 0.52 0.33 -0.08 0.92 3.57 -1.13 -1.26 116.94 119.82 1ckk h PHE 68 Ca 0.28 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.81 1ckk h PHE 68 Cb 0.26 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1ckk h PHE 68 CO -0.12 0.26 0.15 -0.07 -2.23 0.00 0.00 178.31 176.30 1ckk h LEU 69 N 0.31 0.00 0.00 0.59 3.38 -1.14 -0.37 115.31 118.09 1ckk h LEU 69 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1ckk h LEU 69 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ckk h LEU 69 CO -0.02 0.00 -1.13 0.41 0.09 0.00 0.00 178.44 177.80 1ckk n THR 70 N -3.45 0.79 -0.01 0.22 -1.04 -0.56 -4.20 114.28 106.03 1ckk n THR 70 Ca -0.01 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.05 61.25 1ckk n THR 70 Cb 0.24 -0.46 -0.11 0.00 -1.82 0.00 0.00 70.33 68.18 1ckk n THR 70 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1ckk h MET 71 N 0.00 0.34 0.00 -2.82 -1.53 -0.20 -2.86 114.93 107.86 1ckk h MET 71 Ca -0.05 -0.35 0.00 0.00 -3.44 0.00 0.00 59.70 55.87 1ckk h MET 71 Cb 1.17 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 32.32 1ckk h MET 71 CO 0.01 1.03 0.26 1.98 0.14 0.00 0.00 176.91 180.33 1ckk h MET 72 N -0.22 0.00 0.00 0.39 -1.53 -1.67 0.50 114.93 112.40 1ckk h MET 72 Ca -0.05 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1ckk h MET 72 Cb 1.18 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.23 1ckk h MET 72 CO 0.09 0.00 -0.82 0.00 0.14 0.00 0.00 176.91 176.32 1ckk n ALA 73 N -1.75 3.58 -0.08 0.39 0.00 -1.18 -4.42 120.51 117.05 1ckk n ALA 73 Ca -0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.89 1ckk n ALA 73 Cb 0.30 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 1ckk n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ckk n ARG 74 N -1.44 0.68 -0.64 0.00 0.63 0.09 -4.25 116.66 111.73 1ckk n ARG 74 Ca 0.02 0.16 -0.07 0.00 -0.92 0.00 0.00 57.85 57.04 1ckk n ARG 74 Cb 0.24 -1.60 0.16 0.00 0.45 0.00 0.00 32.46 31.71 1ckk n ARG 74 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1ckk n LYS 75 N -3.16 2.37 -0.11 -0.14 4.81 -0.75 -4.08 118.16 117.11 1ckk n LYS 75 Ca -0.36 -1.80 -0.12 0.00 -0.87 0.00 0.00 58.31 55.16 1ckk n LYS 75 Cb 1.05 -1.80 -0.15 0.00 0.02 0.00 0.00 35.03 34.16 1ckk n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1ckk n MET 76 N -0.13 0.71 -3.33 1.64 1.56 -1.26 -4.73 117.12 111.58 1ckk n MET 76 Ca 0.27 0.03 -0.25 0.00 -0.27 0.00 0.00 57.70 57.48 1ckk n MET 76 Cb 1.04 -1.51 -0.08 0.00 2.15 0.00 0.00 33.22 34.81 1ckk n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1ckk n LYS 77 N -2.87 1.06 0.00 2.12 -0.00 -1.26 -4.78 118.16 112.43 1ckk n LYS 77 Ca -0.36 -3.60 0.00 0.00 -0.00 0.00 0.00 58.31 54.35 1ckk n LYS 77 Cb 1.11 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ckk n ASP 78 N 1.61 0.00 -1.95 -5.58 8.00 -1.26 -5.10 116.55 112.28 1ckk n ASP 78 Ca 0.25 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.73 1ckk n ASP 78 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1ckk n ASP 78 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1ckk n THR 79 N 0.00 -8.53 -2.11 -3.53 -1.04 -1.26 -4.84 114.28 92.96 1ckk n THR 79 Ca 0.00 1.68 -0.01 0.00 -2.04 0.00 0.00 64.05 63.67 1ckk n THR 79 Cb 0.00 -5.01 0.00 0.00 -1.82 0.00 0.00 70.33 63.51 1ckk n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ckk n ASP 80 N 0.99 -4.43 -0.09 8.00 2.03 -1.26 -4.97 116.55 116.83 1ckk n ASP 80 Ca -0.13 0.07 -0.17 0.00 0.52 0.00 0.00 54.79 55.08 1ckk n ASP 80 Cb 0.20 -2.80 -0.07 0.00 -0.72 0.00 0.00 41.12 37.73 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1ckk n SER 81 N -0.96 1.72 -0.01 1.67 7.64 -1.26 -4.30 113.62 118.12 1ckk n SER 81 Ca 0.02 0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1ckk n SER 81 Cb 0.38 -0.45 -0.14 0.00 -1.01 0.00 0.00 64.21 62.99 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 -3.55 0.69 0.27 1.43 2.13 -1.26 -3.80 120.64 116.55 1ckk n GLU 82 Ca -0.34 0.28 0.13 0.00 0.66 0.00 0.00 57.16 57.89 1ckk n GLU 82 Cb 0.77 -1.75 0.76 0.00 0.27 0.00 0.00 31.44 31.49 1ckk n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ckk h GLU 83 N 0.03 0.00 -0.83 5.31 4.81 -1.99 -2.07 114.58 119.84 1ckk h GLU 83 Ca -0.35 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1ckk h GLU 83 Cb 2.03 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.35 1ckk h GLU 83 CO 0.08 0.10 0.54 1.49 -0.73 0.00 0.00 179.01 180.49 1ckk h GLU 84 N 0.00 0.72 -0.18 1.92 4.81 -1.75 -0.90 114.58 119.20 1ckk h GLU 84 Ca -0.00 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1ckk h GLU 84 Cb 0.29 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1ckk h GLU 84 CO 0.01 0.47 -0.23 0.82 -0.73 0.00 0.00 179.01 179.36 1ckk h ILE 85 N 0.74 1.34 -0.44 2.32 2.04 -1.57 -2.58 117.51 119.36 1ckk h ILE 85 Ca 0.39 -1.43 0.13 0.00 1.00 0.00 0.00 64.86 64.95 1ckk h ILE 85 Cb 0.52 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 1ckk h ILE 85 CO -0.16 0.43 0.35 -0.09 0.00 0.00 0.00 178.15 178.68 1ckk h ARG 86 N 0.11 0.00 0.47 2.37 2.43 -1.24 -0.21 114.38 118.32 1ckk h ARG 86 Ca 0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1ckk h ARG 86 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1ckk h ARG 86 CO 0.05 0.00 -0.23 0.93 -1.51 0.00 0.00 179.97 179.22 1ckk h GLU 87 N 0.00 -0.61 -0.63 0.20 5.08 -0.84 -1.93 114.58 115.86 1ckk h GLU 87 Ca 0.21 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.77 1ckk h GLU 87 Cb 0.90 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1ckk h GLU 87 CO -0.00 -0.35 0.44 0.00 -1.00 0.00 0.00 179.01 178.09 1ckk h ALA 88 N -1.00 2.40 -0.38 3.43 0.00 -1.12 0.24 119.26 122.82 1ckk h ALA 88 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ckk h ALA 88 Cb 0.54 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ckk h ALA 88 CO 0.11 -0.57 0.13 0.35 0.00 0.00 0.00 179.25 179.27 1ckk h PHE 89 N 0.14 0.60 -0.47 0.00 3.04 -0.94 0.68 116.94 119.99 1ckk h PHE 89 Ca 0.30 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 1ckk h PHE 89 Cb 1.00 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.31 1ckk h PHE 89 CO -0.00 0.56 0.26 -0.09 -2.02 0.00 0.00 178.31 177.02 1ckk h ARG 90 N 0.47 0.63 -0.22 1.11 2.43 0.22 1.43 114.38 120.45 1ckk h ARG 90 Ca 0.13 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.09 1ckk h ARG 90 Cb 0.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1ckk h ARG 90 CO -0.01 0.46 -0.45 0.28 -1.51 0.00 0.00 179.97 178.74 1ckk h VAL 91 N 0.65 1.31 -0.11 0.20 2.07 -0.04 -3.07 116.25 117.25 1ckk h VAL 91 Ca 0.17 -1.67 -0.16 0.00 0.82 0.00 0.00 66.70 65.86 1ckk h VAL 91 Cb 0.01 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1ckk h VAL 91 CO -0.03 0.53 -0.63 -0.26 0.02 0.00 0.00 177.57 177.20 1ckk h PHE 92 N 0.41 0.50 -1.78 1.57 0.04 0.13 -3.26 116.94 114.55 1ckk h PHE 92 Ca 0.01 -0.20 -0.78 0.00 2.80 0.00 0.00 57.97 59.80 1ckk h PHE 92 Cb 1.06 -0.09 -0.20 0.00 2.20 0.00 0.00 35.95 38.92 1ckk h PHE 92 CO 0.09 0.91 1.67 -3.47 -0.60 0.00 0.00 178.31 176.91 1ckk n ASP 93 N -3.89 7.47 -0.38 2.17 -0.08 0.48 -4.13 116.55 118.20 1ckk n ASP 93 Ca -0.03 -3.41 0.38 0.00 -1.51 0.00 0.00 54.79 50.22 1ckk n ASP 93 Cb 0.64 -1.28 0.68 0.00 2.34 0.00 0.00 41.12 43.51 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1ckk h LYS 94 N 4.55 0.00 -0.44 -0.67 1.79 -1.60 2.07 116.57 122.27 1ckk h LYS 94 Ca 0.58 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.94 1ckk h LYS 94 Cb 0.35 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1ckk h LYS 94 CO 1.34 0.00 -0.16 0.22 -1.08 0.00 0.00 179.45 179.78 1ckk h ASP 95 N 0.00 0.91 0.00 0.86 3.58 -1.85 -3.46 116.42 116.45 1ckk h ASP 95 Ca 0.63 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1ckk h ASP 95 Cb 2.88 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 43.68 1ckk h ASP 95 CO -0.01 1.08 0.00 0.61 -2.88 0.00 0.00 179.24 178.05 1ckk n GLY 96 N -0.14 0.68 0.21 -0.78 0.00 0.70 -4.82 105.19 101.03 1ckk n GLY 96 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 0.00 1.61 -1.07 -1.89 -3.46 115.58 110.76 1ckk h ASN 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1ckk h ASN 97 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1ckk h ASN 97 CO 0.00 0.26 0.00 0.61 0.07 0.00 0.00 177.43 178.37 1ckk n GLY 98 N 0.34 1.46 3.11 9.14 0.00 -1.26 -5.12 105.19 112.86 1ckk n GLY 98 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.58 0.11 1.61 1.51 -1.26 -4.59 117.35 111.15 1ckk s TYR 99 Ca 0.00 1.28 -0.29 0.00 -1.01 0.00 0.00 57.07 57.05 1ckk s TYR 99 Cb 0.00 0.36 -0.06 0.00 -0.11 0.00 0.00 41.96 42.15 1ckk s TYR 99 CO 0.00 -0.95 0.90 0.42 -1.11 0.00 0.00 175.55 174.81 1ckk s ILE 100 N 2.79 4.50 0.07 2.71 1.01 -0.93 -4.89 121.20 126.46 1ckk s ILE 100 Ca 0.15 1.95 0.06 0.00 0.00 0.00 0.00 60.65 62.81 1ckk s ILE 100 Cb -0.13 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1ckk s ILE 100 CO -0.23 0.36 -0.16 -0.55 0.00 0.00 0.00 174.94 174.36 1ckk s SER 101 N -0.20 1.86 0.53 3.58 0.15 -1.26 -1.70 113.70 116.65 1ckk s SER 101 Ca 0.44 -0.59 0.38 0.00 0.70 0.00 0.00 55.95 56.88 1ckk s SER 101 Cb -0.23 -0.08 1.55 0.00 -1.71 0.00 0.00 66.02 65.55 1ckk s SER 101 CO 0.28 -0.02 1.73 0.00 1.20 0.00 0.00 173.24 176.44 1ckk h ALA 102 N 4.42 3.21 -0.36 5.45 0.00 -1.94 0.75 119.26 130.79 1ckk h ALA 102 Ca -0.41 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1ckk h ALA 102 Cb 1.19 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ckk h ALA 102 CO 0.41 -1.62 -0.17 0.00 0.00 0.00 0.00 179.25 177.86 1ckk h ALA 103 N 1.34 0.51 -0.58 0.00 0.00 -1.96 -2.37 119.26 116.21 1ckk h ALA 103 Ca 0.67 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1ckk h ALA 103 Cb 2.59 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 20.23 1ckk h ALA 103 CO -0.06 0.44 0.32 0.93 0.00 0.00 0.00 179.25 180.87 1ckk h GLU 104 N 0.54 0.81 -0.75 0.00 5.08 0.21 -2.22 114.58 118.25 1ckk h GLU 104 Ca 0.08 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ckk h GLU 104 Cb 0.71 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1ckk h GLU 104 CO 0.05 0.62 0.49 -0.07 -1.00 0.00 0.00 179.01 179.10 1ckk h LEU 105 N 0.78 0.84 -1.32 1.33 3.38 -1.33 -1.36 115.31 117.64 1ckk h LEU 105 Ca 0.20 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1ckk h LEU 105 Cb 0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1ckk h LEU 105 CO -0.03 0.61 0.49 -0.09 0.09 0.00 0.00 178.44 179.50 1ckk h ARG 106 N 1.00 0.84 -0.38 1.13 2.43 -0.91 0.53 114.38 119.01 1ckk h ARG 106 Ca 0.28 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.35 1ckk h ARG 106 Cb -0.09 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.25 1ckk h ARG 106 CO -0.07 0.55 0.06 1.25 -1.51 0.00 0.00 179.97 180.26 1ckk h HIS 107 N 0.86 0.67 -0.04 2.20 2.76 -0.69 -1.99 115.15 118.92 1ckk h HIS 107 Ca 0.31 -0.09 -0.18 0.00 -2.20 0.00 0.00 60.37 58.21 1ckk h HIS 107 Cb 0.13 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1ckk h HIS 107 CO -0.00 0.67 -0.75 -0.24 -1.30 0.00 0.00 177.93 176.31 1ckk h VAL 108 N 0.48 1.42 0.43 5.26 3.04 -0.76 -2.78 116.25 123.34 1ckk h VAL 108 Ca 0.12 -2.27 -0.02 0.00 -1.01 0.00 0.00 66.70 63.52 1ckk h VAL 108 Cb 0.36 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 1ckk h VAL 108 CO 0.01 0.67 -0.21 0.24 -1.01 0.00 0.00 177.57 177.27 1ckk h MET 109 N 0.19 -0.56 -0.86 4.17 2.07 0.25 0.76 114.93 120.94 1ckk h MET 109 Ca -0.03 0.04 0.22 0.00 -2.07 0.00 0.00 59.70 57.86 1ckk h MET 109 Cb 1.33 0.13 -0.05 0.00 -1.87 0.00 0.00 31.60 31.13 1ckk h MET 109 CO 0.12 -0.37 0.59 1.15 1.07 0.00 0.00 176.91 179.47 1ckk h THR 110 N -0.60 0.64 0.00 2.22 2.02 -1.00 0.99 112.91 117.18 1ckk h THR 110 Ca -0.06 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1ckk h THR 110 Cb 0.44 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1ckk h THR 110 CO 0.10 0.04 -0.06 0.78 0.37 0.00 0.00 175.52 176.75 1ckk h ASN 111 N 0.23 0.00 0.19 4.18 -0.26 -1.17 -3.26 115.58 115.49 1ckk h ASN 111 Ca 0.44 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.83 1ckk h ASN 111 Cb 1.34 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 38.61 1ckk h ASN 111 CO -0.10 0.06 -1.69 -0.07 -1.06 0.00 0.00 177.43 174.56 1ckk h LEU 112 N 0.00 0.62 0.00 1.61 3.38 0.76 -3.38 115.31 118.30 1ckk h LEU 112 Ca -0.00 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.04 1ckk h LEU 112 Cb 0.93 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ckk h LEU 112 CO 0.01 1.77 0.00 0.61 0.09 0.00 0.00 178.44 180.92 1ckk n GLY 113 N 1.84 2.32 3.96 0.83 0.00 0.10 -4.99 105.19 109.25 1ckk n GLY 113 Ca -0.24 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 3.01 -0.38 1.61 2.12 -1.23 -4.87 118.70 118.96 1ckk s GLU 114 Ca 0.00 -0.58 0.11 0.00 0.36 0.00 0.00 54.97 54.86 1ckk s GLU 114 Cb 0.00 -2.58 0.32 0.00 0.26 0.00 0.00 34.13 32.13 1ckk s GLU 114 CO 0.00 -0.28 0.68 0.36 -0.54 0.00 0.00 175.26 175.48 1ckk n LYS 115 N -2.06 0.90 -1.27 4.30 2.85 -1.26 -2.41 118.16 119.21 1ckk n LYS 115 Ca 0.02 -3.29 -0.43 0.00 -1.05 0.00 0.00 58.31 53.56 1ckk n LYS 115 Cb 0.58 -1.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.38 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 0.60 -1.33 0.00 -5.58 4.32 -1.26 -4.87 117.00 108.88 1ckk n LEU 116 Ca 0.23 1.00 -0.06 0.00 -0.02 0.00 0.00 56.01 57.16 1ckk n LEU 116 Cb 0.63 -0.86 0.06 0.00 -1.62 0.00 0.00 43.42 41.62 1ckk n LEU 116 CO 0.20 -2.88 0.07 0.41 -1.22 0.00 0.00 177.39 173.97 1ckk n THR 117 N -0.12 0.00 -0.05 -5.08 -1.04 -1.26 -4.72 114.28 102.01 1ckk n THR 117 Ca 0.16 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.15 1ckk n THR 117 Cb 0.25 -0.21 -0.01 0.00 -1.82 0.00 0.00 70.33 68.54 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 -2.06 0.00 -0.80 8.00 3.58 -1.99 -3.10 116.42 120.05 1ckk h ASP 118 Ca -0.08 0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.53 1ckk h ASP 118 Cb 0.28 0.00 -0.15 0.00 1.72 0.00 0.00 39.33 41.18 1ckk h ASP 118 CO 0.05 0.51 -0.17 -0.08 -2.88 0.00 0.00 179.24 176.67 1ckk h GLU 119 N -0.77 0.01 0.31 0.28 4.81 -1.99 0.13 114.58 117.36 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 0.24 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1ckk h GLU 119 CO 0.00 0.01 -0.29 1.49 -0.73 0.00 0.00 179.01 179.49 1ckk h GLU 120 N 0.01 -0.60 -0.83 1.92 4.81 -1.94 -1.81 114.58 116.15 1ckk h GLU 120 Ca 0.40 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.85 1ckk h GLU 120 Cb 0.63 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.03 1ckk h GLU 120 CO -0.81 -0.40 0.34 0.28 -0.73 0.00 0.00 179.01 177.69 1ckk h VAL 121 N -0.62 0.56 0.00 0.32 2.07 -0.74 0.54 116.25 118.38 1ckk h VAL 121 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ckk h VAL 121 Cb 0.56 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1ckk h VAL 121 CO -0.05 0.08 -0.11 -2.24 0.02 0.00 0.00 177.57 175.27 1ckk h ASP 122 N 0.42 0.00 1.18 0.57 3.04 -0.58 -2.06 116.42 118.99 1ckk h ASP 122 Ca 0.49 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 54.11 1ckk h ASP 122 Cb 0.84 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.11 1ckk h ASP 122 CO -0.48 0.11 -0.83 -0.33 -2.04 0.00 0.00 179.24 175.68 1ckk h GLU 123 N 0.00 0.00 -0.33 4.15 4.39 0.84 -2.81 114.58 120.82 1ckk h GLU 123 Ca -0.00 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1ckk h GLU 123 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1ckk h GLU 123 CO 0.01 0.76 -0.11 1.98 -1.16 0.00 0.00 179.01 180.50 1ckk h MET 124 N 0.00 0.66 -0.34 2.33 4.05 -0.36 -2.03 114.93 119.23 1ckk h MET 124 Ca -0.02 -0.27 -0.08 0.00 -0.28 0.00 0.00 59.70 59.05 1ckk h MET 124 Cb 1.61 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.37 1ckk h MET 124 CO 0.10 0.85 -0.10 0.82 0.23 0.00 0.00 176.91 178.80 1ckk h ILE 125 N 0.43 1.28 -0.97 1.77 1.08 -1.55 -2.91 117.51 116.65 1ckk h ILE 125 Ca 0.08 -1.18 0.07 0.00 -0.39 0.00 0.00 64.86 63.45 1ckk h ILE 125 Cb 0.62 1.34 -0.07 0.00 -3.07 0.00 0.00 36.82 35.64 1ckk h ILE 125 CO 0.04 0.38 0.63 0.03 -0.69 0.00 0.00 178.15 178.54 1ckk h ARG 126 N 0.45 1.06 -0.05 2.37 2.47 -1.43 0.50 114.38 119.76 1ckk h ARG 126 Ca 0.08 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1ckk h ARG 126 Cb 0.61 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1ckk h ARG 126 CO 0.04 0.70 0.04 1.49 0.56 0.00 0.00 179.97 182.80 1ckk h GLU 127 N 1.10 0.00 0.00 0.04 4.81 -1.16 -1.75 114.58 117.61 1ckk h GLU 127 Ca 0.43 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1ckk h GLU 127 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1ckk h GLU 127 CO -0.17 0.00 -1.76 0.00 -0.73 0.00 0.00 179.01 176.35 1ckk n ALA 128 N -2.48 3.12 -1.55 2.92 0.00 0.11 -4.86 120.51 117.77 1ckk n ALA 128 Ca -0.02 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 1ckk n ALA 128 Cb 0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.15 2.13 -0.10 0.00 8.00 0.15 -4.78 116.55 119.80 1ckk n ASP 129 Ca -0.02 -0.66 -0.12 0.00 0.71 0.00 0.00 54.79 54.70 1ckk n ASP 129 Cb 0.53 -1.57 -0.04 0.00 -0.02 0.00 0.00 41.12 40.02 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 7.71 1.28 0.00 0.53 1.08 -1.89 -3.15 117.51 123.08 1ckk h ILE 130 Ca -0.19 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.18 1ckk h ILE 130 Cb 1.23 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 1ckk h ILE 130 CO 1.15 0.35 -0.97 -0.90 -0.69 0.00 0.00 178.15 177.09 1ckk n ASP 131 N -4.49 0.82 -1.56 1.72 5.75 -1.26 -5.00 116.55 112.52 1ckk n ASP 131 Ca -0.03 0.28 -0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1ckk n ASP 131 Cb 0.31 0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1ckk n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 132 N 1.21 0.36 0.02 6.12 0.00 -1.19 -5.02 105.19 106.69 1ckk n GLY 132 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.35 3.82 0.00 1.61 5.75 -1.26 -5.03 116.55 120.09 1ckk n ASP 133 Ca -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1ckk n ASP 133 Cb 0.50 0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 1ckk n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ckk n GLY 134 N 2.99 1.89 3.43 6.12 0.00 -1.26 -5.12 105.19 113.24 1ckk n GLY 134 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1ckk n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ckk s GLN 135 N -0.00 1.24 -0.31 1.61 1.03 -1.26 -4.46 119.66 117.51 1ckk s GLN 135 Ca 0.00 -0.39 -0.02 0.00 0.04 0.00 0.00 55.36 54.99 1ckk s GLN 135 Cb 0.00 0.57 0.06 0.00 0.03 0.00 0.00 33.01 33.67 1ckk s GLN 135 CO 0.00 -0.53 0.02 0.08 -2.54 0.00 0.00 175.29 172.32 1ckk s VAL 136 N -3.48 2.97 0.32 3.63 1.01 -0.69 -4.85 120.40 119.32 1ckk s VAL 136 Ca -0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 61.98 60.43 1ckk s VAL 136 Cb -0.01 -2.76 0.07 0.00 0.00 0.00 0.00 36.38 33.69 1ckk s VAL 136 CO -0.11 -0.18 0.44 -3.20 0.00 0.00 0.00 175.10 172.05 1ckk n ASN 137 N 4.60 0.06 0.09 3.32 5.15 -1.26 -2.20 115.26 125.02 1ckk n ASN 137 Ca -0.11 -1.17 -0.04 0.00 -0.60 0.00 0.00 54.58 52.66 1ckk n ASN 137 Cb 0.43 -0.33 -0.02 0.00 -0.53 0.00 0.00 39.78 39.33 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 -1.21 -0.22 -1.30 1.20 3.20 -1.99 0.31 116.97 116.95 1ckk h TYR 138 Ca -0.14 -0.01 0.38 0.00 3.14 0.00 0.00 58.73 62.10 1ckk h TYR 138 Cb 0.39 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1ckk h TYR 138 CO 0.00 -0.14 1.14 1.49 -1.64 0.00 0.00 178.16 179.02 1ckk h GLU 139 N -0.35 0.00 0.00 1.82 4.81 -1.98 0.19 114.58 119.08 1ckk h GLU 139 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1ckk h GLU 139 Cb 0.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1ckk h GLU 139 CO 0.04 0.00 -0.10 1.49 -0.73 0.00 0.00 179.01 179.71 1ckk h GLU 140 N 0.00 0.00 0.00 1.92 4.81 -1.88 0.71 114.58 120.13 1ckk h GLU 140 Ca 0.62 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.85 1ckk h GLU 140 Cb 2.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.28 1ckk h GLU 140 CO -0.01 0.68 0.08 0.35 -0.73 0.00 0.00 179.01 179.39 1ckk h PHE 141 N -1.00 0.00 0.00 0.92 3.57 0.15 -1.37 116.94 119.21 1ckk h PHE 141 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ckk h PHE 141 Cb 0.72 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1ckk h PHE 141 CO 0.17 0.00 -0.72 0.28 -2.23 0.00 0.00 178.31 175.81 1ckk n VAL 142 N -2.76 1.10 0.30 1.41 0.31 -0.25 -3.43 118.33 115.01 1ckk n VAL 142 Ca -0.02 0.24 0.13 0.00 -0.01 0.00 0.00 64.34 64.67 1ckk n VAL 142 Cb 0.13 -2.12 0.69 0.00 -0.91 0.00 0.00 33.84 31.63 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 -0.73 0.00 0.00 5.55 4.15 -0.84 0.71 115.11 123.95 1ckk h GLN 143 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1ckk h GLN 143 Cb 0.72 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1ckk h GLN 143 CO 0.00 0.00 -1.82 -0.12 -1.93 0.00 0.00 178.83 174.96 1ckk n MET 144 N -2.70 0.65 -0.06 1.69 1.56 -0.52 -4.21 117.12 113.52 1ckk n MET 144 Ca -0.02 -0.11 -0.02 0.00 -0.27 0.00 0.00 57.70 57.28 1ckk n MET 144 Cb 0.39 -1.59 -0.16 0.00 2.15 0.00 0.00 33.22 34.02 1ckk n MET 144 CO 0.00 0.00 0.00 -0.12 -0.73 0.00 0.00 175.97 175.12 1ckk n MET 145 N -2.40 0.75 -3.11 2.12 0.00 0.13 -4.90 117.12 109.72 1ckk n MET 145 Ca -0.06 -0.08 0.02 0.00 -0.00 0.00 0.00 57.70 57.59 1ckk n MET 145 Cb 0.62 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.33 1ckk n MET 145 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1ckk s THR 146 N -2.83 -0.80 -0.73 1.12 -1.32 0.20 -5.03 115.64 106.25 1ckk s THR 146 Ca -0.09 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.37 1ckk s THR 146 Cb 0.09 -0.21 0.33 0.00 -1.51 0.00 0.00 72.50 71.20 1ckk s THR 146 CO 0.83 0.00 2.12 0.00 -2.21 0.00 0.00 174.62 175.36 1ckk n ALA 147 N 4.52 6.41 1.78 11.08 0.00 -1.26 -4.51 120.51 138.54 1ckk n ALA 147 Ca 0.09 -3.71 0.14 0.00 0.00 0.00 0.00 53.44 49.96 1ckk n ALA 147 Cb 0.58 -1.93 0.85 0.00 0.00 0.00 0.00 19.45 18.94 1ckk n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86