#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckk s ASP 2 N 0.00 -0.43 0.32 0.00 -1.08 -1.26 -5.17 116.67 109.05 1ckk s ASP 2 Ca 0.00 0.15 0.06 0.00 -0.52 0.00 0.00 52.55 52.25 1ckk s ASP 2 Cb 0.00 1.32 -0.01 0.00 -1.46 0.00 0.00 42.92 42.76 1ckk s ASP 2 CO 0.00 -0.08 0.45 -1.10 0.52 0.00 0.00 175.17 174.96 1ckk s GLN 3 N 2.96 3.18 0.22 4.34 -1.52 -1.26 -5.04 119.66 122.54 1ckk s GLN 3 Ca 0.12 -0.97 -0.32 0.00 -1.95 0.00 0.00 55.36 52.25 1ckk s GLN 3 Cb -0.06 -2.83 -0.13 0.00 -0.22 0.00 0.00 33.01 29.77 1ckk s GLN 3 CO -0.17 0.13 1.60 1.28 -0.25 0.00 0.00 175.29 177.89 1ckk n LEU 4 N -1.59 3.73 0.00 2.90 4.77 -1.26 -4.67 117.00 120.87 1ckk n LEU 4 Ca -0.02 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1ckk n LEU 4 Cb 0.58 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1ckk n LEU 4 CO 0.42 -0.05 0.00 0.35 -1.33 0.00 0.00 177.39 176.79 1ckk n THR 5 N 3.03 0.00 -0.03 -5.08 -2.24 -1.26 -4.95 114.28 103.75 1ckk n THR 5 Ca 0.14 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.98 1ckk n THR 5 Cb 0.33 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.40 1ckk n THR 5 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ckk n GLU 6 N -1.11 0.66 -0.27 -0.78 1.02 -1.26 -4.43 120.64 114.47 1ckk n GLU 6 Ca 0.00 -0.14 -0.07 0.00 -0.02 0.00 0.00 57.16 56.93 1ckk n GLU 6 Cb 0.00 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 29.86 1ckk n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ckk h GLU 7 N 0.00 -0.14 0.20 3.49 3.07 -1.93 2.03 114.58 121.30 1ckk h GLU 7 Ca -0.13 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1ckk h GLU 7 Cb 1.30 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 1ckk h GLU 7 CO 0.01 -0.09 -0.09 0.37 -1.40 0.00 0.00 179.01 177.80 1ckk h GLN 8 N -0.14 -0.25 -0.75 2.33 4.15 -1.99 -1.89 115.11 116.56 1ckk h GLN 8 Ca 0.22 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.83 1ckk h GLN 8 Cb 0.55 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 28.18 1ckk h GLN 8 CO -0.79 -0.17 0.15 0.82 -1.93 0.00 0.00 178.83 176.91 1ckk h ILE 9 N -0.30 0.46 -0.90 2.39 2.04 -1.71 0.32 117.51 119.81 1ckk h ILE 9 Ca -0.03 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 65.91 1ckk h ILE 9 Cb 0.20 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.39 1ckk h ILE 9 CO 0.04 0.04 0.50 0.00 0.00 0.00 0.00 178.15 178.74 1ckk h ALA 10 N 1.65 1.40 0.01 1.87 0.00 0.33 0.10 119.26 124.63 1ckk h ALA 10 Ca 0.43 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.44 1ckk h ALA 10 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ckk h ALA 10 CO -0.56 -0.05 -0.10 1.49 0.00 0.00 0.00 179.25 180.03 1ckk h GLU 11 N 0.69 -0.18 -0.43 0.00 4.81 0.49 0.33 114.58 120.30 1ckk h GLU 11 Ca 0.50 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.73 1ckk h GLU 11 Cb 0.71 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1ckk h GLU 11 CO -0.36 -0.12 0.22 0.74 -0.73 0.00 0.00 179.01 178.76 1ckk h PHE 12 N -0.18 0.61 -0.73 0.92 0.04 -0.95 -2.33 116.94 114.33 1ckk h PHE 12 Ca 0.03 -0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1ckk h PHE 12 Cb 0.22 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 1ckk h PHE 12 CO -0.16 0.49 0.48 -0.22 -0.60 0.00 0.00 178.31 178.30 1ckk h LYS 13 N 0.56 0.96 -0.76 1.51 3.64 -0.46 0.11 116.57 122.13 1ckk h LYS 13 Ca 0.15 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1ckk h LYS 13 Cb 0.10 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 1ckk h LYS 13 CO -0.02 0.65 0.50 1.49 -2.27 0.00 0.00 179.45 179.80 1ckk h GLU 14 N 0.99 0.81 0.10 1.90 4.81 0.01 0.77 114.58 123.97 1ckk h GLU 14 Ca 0.27 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1ckk h GLU 14 Cb -0.10 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.10 1ckk h GLU 14 CO -0.06 0.54 -0.05 0.00 -0.73 0.00 0.00 179.01 178.72 1ckk h ALA 15 N 1.58 -0.13 0.00 2.92 0.00 -0.77 -1.41 119.26 121.44 1ckk h ALA 15 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ckk h ALA 15 Cb 0.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ckk h ALA 15 CO -0.11 -0.19 0.14 0.35 0.00 0.00 0.00 179.25 179.45 1ckk h PHE 16 N -0.90 0.00 0.00 0.00 3.57 -0.58 -2.52 116.94 116.51 1ckk h PHE 16 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1ckk h PHE 16 Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1ckk h PHE 16 CO 0.12 0.00 -0.70 1.03 -2.23 0.00 0.00 178.31 176.52 1ckk h SER 17 N 0.00 0.00 -1.56 0.41 0.87 -0.77 -3.01 113.55 109.49 1ckk h SER 17 Ca 0.00 -0.17 0.45 0.00 -1.23 0.00 0.00 61.79 60.84 1ckk h SER 17 Cb 0.28 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 1ckk h SER 17 CO 0.00 0.97 1.12 0.25 -0.53 0.00 0.00 176.83 178.64 1ckk h LEU 18 N -1.00 0.01 0.01 2.23 6.46 -0.84 0.80 115.31 122.98 1ckk h LEU 18 Ca -0.11 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.38 1ckk h LEU 18 Cb 0.74 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 1ckk h LEU 18 CO -0.07 -0.00 -1.56 -0.26 -0.62 0.00 0.00 178.44 175.94 1ckk h PHE 19 N 0.00 0.04 -3.64 1.25 0.04 -1.63 -3.42 116.94 109.59 1ckk h PHE 19 Ca 0.75 -0.03 -0.75 0.00 2.80 0.00 0.00 57.97 60.73 1ckk h PHE 19 Cb 2.98 -0.00 -0.29 0.00 2.20 0.00 0.00 35.95 40.83 1ckk h PHE 19 CO -0.00 1.05 -0.12 0.34 -0.60 0.00 0.00 178.31 178.98 1ckk s ASP 20 N -6.31 6.12 0.02 2.17 2.15 0.28 -4.43 116.67 116.67 1ckk s ASP 20 Ca -0.04 -2.64 -0.23 0.00 0.43 0.00 0.00 52.55 50.07 1ckk s ASP 20 Cb 0.08 -2.07 -0.16 0.00 -0.30 0.00 0.00 42.92 40.47 1ckk s ASP 20 CO 0.82 -0.53 1.39 0.11 -0.17 0.00 0.00 175.17 176.79 1ckk h LYS 21 N 7.63 0.15 -0.79 4.34 1.57 -1.82 -3.16 116.57 124.50 1ckk h LYS 21 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ckk h LYS 21 Cb 1.02 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.28 1ckk h LYS 21 CO 0.76 0.50 0.50 0.38 -0.57 0.00 0.00 179.45 181.03 1ckk h ASP 22 N -0.20 0.93 -2.13 0.86 2.03 -1.92 -3.47 116.42 112.50 1ckk h ASP 22 Ca 0.02 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1ckk h ASP 22 Cb 0.45 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1ckk h ASP 22 CO 0.01 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.52 1ckk n GLY 23 N -1.26 0.75 0.05 7.15 0.00 -1.20 -5.01 105.19 105.67 1ckk n GLY 23 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 1ckk n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ckk n ASP 24 N -1.07 1.86 0.00 1.61 5.75 -1.26 -5.00 116.55 118.44 1ckk n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckk n ASP 24 Cb 0.40 1.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.51 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 2.10 1.24 2.72 6.12 0.00 -1.26 -5.09 105.19 111.02 1ckk n GLY 25 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.19 -0.49 2.61 -4.23 -1.26 -4.12 115.64 105.98 1ckk s THR 26 Ca 0.00 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.50 1ckk s THR 26 Cb 0.00 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.51 1ckk s THR 26 CO 0.00 -0.00 0.59 -0.63 -0.54 0.00 0.00 174.62 174.03 1ckk s ILE 27 N 2.23 4.92 0.38 2.99 1.01 -0.97 -4.81 121.20 126.94 1ckk s ILE 27 Ca 0.04 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 1ckk s ILE 27 Cb -0.14 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 1ckk s ILE 27 CO -0.07 -0.72 0.79 0.42 0.00 0.00 0.00 174.94 175.36 1ckk s THR 28 N 2.51 4.68 0.60 2.92 -4.23 -1.26 -2.17 115.64 118.68 1ckk s THR 28 Ca 0.15 0.91 0.29 0.00 -1.18 0.00 0.00 61.69 61.85 1ckk s THR 28 Cb -0.19 -3.66 0.40 0.00 1.34 0.00 0.00 72.50 70.39 1ckk s THR 28 CO 0.12 -0.36 1.60 0.71 -0.54 0.00 0.00 174.62 176.15 1ckk h THR 29 N 1.56 0.17 0.69 3.99 1.35 -1.97 -0.72 112.91 117.98 1ckk h THR 29 Ca -0.48 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.35 1ckk h THR 29 Cb 1.18 0.30 0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1ckk h THR 29 CO 0.64 0.00 -0.33 0.50 -0.25 0.00 0.00 175.52 176.08 1ckk h LYS 30 N 0.00 -0.90 0.31 4.72 3.64 -1.96 0.10 116.57 122.48 1ckk h LYS 30 Ca 0.37 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1ckk h LYS 30 Cb 2.11 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 34.11 1ckk h LYS 30 CO -0.00 -0.60 -0.41 0.93 -2.27 0.00 0.00 179.45 177.10 1ckk h GLU 31 N -1.14 -0.74 -0.96 1.90 5.08 -1.48 -1.04 114.58 116.19 1ckk h GLU 31 Ca -0.09 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 1ckk h GLU 31 Cb 0.71 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 1ckk h GLU 31 CO 0.16 -0.49 0.61 1.25 -1.00 0.00 0.00 179.01 179.53 1ckk h LEU 32 N -0.77 0.72 -0.99 1.33 5.85 -1.56 0.17 115.31 120.06 1ckk h LEU 32 Ca -0.02 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ckk h LEU 32 Cb 0.72 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1ckk h LEU 32 CO -0.13 0.31 0.63 1.23 -0.34 0.00 0.00 178.44 180.15 1ckk h GLY 33 N 0.73 1.40 1.00 3.75 0.00 0.34 -2.36 103.07 107.93 1ckk h GLY 33 Ca 0.51 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1ckk h GLY 33 CO -0.28 0.53 -0.26 -0.84 0.00 0.00 0.00 176.54 175.69 1ckk h THR 34 N 1.35 0.46 -0.56 4.70 2.02 0.53 -1.90 112.91 119.50 1ckk h THR 34 Ca 0.36 -0.02 0.11 0.00 0.77 0.00 0.00 66.41 67.63 1ckk h THR 34 Cb -0.12 0.47 -0.11 0.00 -1.74 0.00 0.00 68.15 66.65 1ckk h THR 34 CO -0.07 0.00 -0.17 0.58 0.37 0.00 0.00 175.52 176.23 1ckk h VAL 35 N -0.75 0.39 -0.95 3.16 2.07 -1.22 0.37 116.25 119.33 1ckk h VAL 35 Ca -0.07 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1ckk h VAL 35 Cb 0.57 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1ckk h VAL 35 CO 0.12 0.00 0.60 0.24 0.02 0.00 0.00 177.57 178.56 1ckk h MET 36 N -0.03 0.83 0.00 1.57 2.86 -1.20 0.42 114.93 119.39 1ckk h MET 36 Ca 0.27 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1ckk h MET 36 Cb 0.44 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1ckk h MET 36 CO -0.60 0.55 -0.07 -0.09 1.06 0.00 0.00 176.91 177.76 1ckk h ARG 37 N 0.86 0.00 0.00 1.72 2.43 0.54 -2.09 114.38 117.84 1ckk h ARG 37 Ca 0.47 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 59.45 1ckk h ARG 37 Cb 0.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1ckk h ARG 37 CO -0.24 0.07 -0.93 1.03 -1.51 0.00 0.00 179.97 178.39 1ckk h SER 38 N 0.00 0.02 -0.20 -3.80 0.87 0.56 -3.31 113.55 107.69 1ckk h SER 38 Ca -0.00 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.43 1ckk h SER 38 Cb 0.27 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1ckk h SER 38 CO 0.01 0.93 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.88 1ckk h LEU 39 N 0.01 0.60 0.00 2.23 3.38 -1.06 -3.44 115.31 117.03 1ckk h LEU 39 Ca -0.01 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.44 1ckk h LEU 39 Cb 1.63 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1ckk h LEU 39 CO 0.12 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.27 1ckk n GLY 40 N 0.32 0.15 3.71 0.83 0.00 -1.16 -5.01 105.19 104.02 1ckk n GLY 40 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ckk n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ckk s GLN 41 N 0.00 2.26 -0.36 1.61 -1.52 -1.19 -5.02 119.66 115.45 1ckk s GLN 41 Ca 0.00 -1.66 0.01 0.00 -1.95 0.00 0.00 55.36 51.76 1ckk s GLN 41 Cb 0.00 -2.07 0.11 0.00 -0.22 0.00 0.00 33.01 30.83 1ckk s GLN 41 CO 0.00 0.07 0.13 1.21 -0.25 0.00 0.00 175.29 176.45 1ckk s ASN 42 N -3.82 4.14 0.27 5.90 3.84 -1.26 -2.65 114.94 121.36 1ckk s ASN 42 Ca 0.38 -2.06 -0.29 0.00 0.21 0.00 0.00 52.86 51.09 1ckk s ASN 42 Cb -0.01 -1.13 -0.09 0.00 -0.55 0.00 0.00 41.25 39.47 1ckk s ASN 42 CO 0.22 -0.36 1.07 -2.16 -2.79 0.00 0.00 177.10 173.07 1ckk s PRO 43 N 1.05 4.68 0.00 0.43 0.04 -1.26 -5.05 135.00 134.89 1ckk s PRO 43 Ca 0.12 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1ckk s PRO 43 Cb -0.20 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ckk s PRO 43 CO -0.14 0.27 0.00 -2.37 0.04 0.00 0.00 177.00 174.80 1ckk n THR 44 N 1.23 0.00 -0.06 1.26 5.66 -1.26 -4.93 114.28 116.18 1ckk n THR 44 Ca -0.01 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.97 1ckk n THR 44 Cb 0.45 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.07 1ckk n THR 44 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ckk n GLU 45 N 0.00 0.70 0.00 1.09 4.07 -1.26 -3.98 120.64 121.26 1ckk n GLU 45 Ca 0.00 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1ckk n GLU 45 Cb 0.00 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1ckk n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ckk n ALA 46 N -2.54 -0.15 -0.34 4.31 0.00 -1.26 -1.85 120.51 118.67 1ckk n ALA 46 Ca -0.21 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.38 1ckk n ALA 46 Cb 0.91 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.72 1ckk n ALA 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1ckk h GLU 47 N 0.00 0.61 -0.70 0.00 4.11 -1.98 0.40 114.58 117.01 1ckk h GLU 47 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.42 1ckk h GLU 47 Cb 0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1ckk h GLU 47 CO 0.00 0.40 0.44 -0.07 0.07 0.00 0.00 179.01 179.85 1ckk h LEU 48 N 0.63 0.73 -0.54 3.06 3.38 -1.69 -1.72 115.31 119.16 1ckk h LEU 48 Ca 0.61 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.69 1ckk h LEU 48 Cb 1.09 -0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 1ckk h LEU 48 CO -0.45 0.51 -0.07 -0.61 0.09 0.00 0.00 178.44 177.90 1ckk h GLN 49 N 0.87 0.05 -0.05 1.13 5.75 0.55 0.93 115.11 124.33 1ckk h GLN 49 Ca 0.28 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1ckk h GLN 49 Cb 0.01 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 1ckk h GLN 49 CO -0.10 0.03 0.04 0.22 -2.65 0.00 0.00 178.83 176.36 1ckk h ASP 50 N 0.05 0.00 0.11 -0.69 3.58 -1.07 0.19 116.42 118.59 1ckk h ASP 50 Ca 0.27 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.71 1ckk h ASP 50 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.47 1ckk h ASP 50 CO -0.51 0.00 -0.05 -0.03 -2.88 0.00 0.00 179.24 175.77 1ckk h MET 51 N 0.00 -0.14 -0.61 0.28 4.05 0.12 -3.27 114.93 115.36 1ckk h MET 51 Ca 0.02 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1ckk h MET 51 Cb 0.09 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 1ckk h MET 51 CO -0.00 0.27 0.33 0.97 0.23 0.00 0.00 176.91 178.71 1ckk h ILE 52 N -0.95 0.97 0.00 1.77 6.09 0.09 -3.13 117.51 122.35 1ckk h ILE 52 Ca -0.02 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 1ckk h ILE 52 Cb 0.48 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.06 1ckk h ILE 52 CO 0.02 0.11 0.00 0.59 -3.07 0.00 0.00 178.15 175.81 1ckk n ASN 53 N -4.82 0.00 -0.31 2.19 5.03 0.63 0.26 115.26 118.24 1ckk n ASN 53 Ca 0.07 1.00 -0.02 0.00 0.87 0.00 0.00 54.58 56.49 1ckk n ASN 53 Cb 0.16 -0.50 0.01 0.00 -1.02 0.00 0.00 39.78 38.44 1ckk n ASN 53 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ckk n GLU 54 N -2.94 -0.21 0.08 3.52 1.02 -1.18 0.12 120.64 121.05 1ckk n GLU 54 Ca 0.00 1.22 -0.10 0.00 -0.02 0.00 0.00 57.16 58.26 1ckk n GLU 54 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1ckk n GLU 54 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ckk h VAL 55 N 0.00 1.44 -0.06 2.62 2.07 -1.31 -3.39 116.25 117.62 1ckk h VAL 55 Ca 0.25 -2.44 -0.15 0.00 0.82 0.00 0.00 66.70 65.19 1ckk h VAL 55 Cb 0.45 2.35 0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1ckk h VAL 55 CO -0.78 0.72 0.39 -0.67 0.02 0.00 0.00 177.57 177.25 1ckk n ASP 56 N -3.73 1.07 -0.36 0.57 -0.08 0.73 -4.74 116.55 110.01 1ckk n ASP 56 Ca -0.04 -2.42 -0.09 0.00 -1.51 0.00 0.00 54.79 50.72 1ckk n ASP 56 Cb 0.78 -1.35 -0.09 0.00 2.34 0.00 0.00 41.12 42.80 1ckk n ASP 56 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckk n ALA 57 N 16.44 -0.55 0.31 -1.67 0.00 -1.26 0.75 120.51 134.52 1ckk n ALA 57 Ca 0.40 0.73 0.14 0.00 0.00 0.00 0.00 53.44 54.71 1ckk n ALA 57 Cb 0.46 -0.06 0.38 0.00 0.00 0.00 0.00 19.45 20.23 1ckk n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1ckk h ASP 58 N 0.00 0.00 -3.36 0.00 2.03 -1.92 -3.47 116.42 109.69 1ckk h ASP 58 Ca 0.14 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.31 1ckk h ASP 58 Cb 0.35 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.92 1ckk h ASP 58 CO -0.81 0.00 -0.29 0.61 -1.03 0.00 0.00 179.24 177.72 1ckk n GLY 59 N 0.74 0.15 0.08 7.15 0.00 0.23 -4.97 105.19 108.57 1ckk n GLY 59 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 1ckk n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ckk n ASN 60 N -1.70 0.06 0.00 1.61 6.94 -1.26 -4.99 115.26 115.92 1ckk n ASN 60 Ca -0.10 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1ckk n ASN 60 Cb 0.56 1.17 0.00 0.00 -2.36 0.00 0.00 39.78 39.16 1ckk n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ckk n GLY 61 N 1.61 1.97 3.46 4.83 0.00 -1.26 -5.13 105.19 110.68 1ckk n GLY 61 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 0.39 2.61 -4.23 -1.26 -4.46 115.64 106.68 1ckk s THR 62 Ca 0.00 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.47 1ckk s THR 62 Cb 0.00 -0.79 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 1ckk s THR 62 CO 0.00 -0.00 0.64 -0.63 -0.54 0.00 0.00 174.62 174.09 1ckk s ILE 63 N 0.24 5.01 0.17 2.99 -1.09 -0.92 -4.80 121.20 122.80 1ckk s ILE 63 Ca -0.00 -0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.35 1ckk s ILE 63 Cb -0.04 -3.83 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 1ckk s ILE 63 CO 0.01 -0.61 -0.03 -1.81 -1.23 0.00 0.00 174.94 171.27 1ckk s ASP 64 N -3.85 1.42 0.15 3.58 1.01 -1.26 -2.30 116.67 115.41 1ckk s ASP 64 Ca 0.44 -1.13 -0.17 0.00 0.71 0.00 0.00 52.55 52.39 1ckk s ASP 64 Cb -0.10 0.07 0.03 0.00 1.01 0.00 0.00 42.92 43.94 1ckk s ASP 64 CO 0.38 -0.50 1.73 0.15 0.21 0.00 0.00 175.17 177.13 1ckk h PHE 65 N 2.70 0.09 -0.26 4.23 3.57 -1.99 -1.88 116.94 123.40 1ckk h PHE 65 Ca -0.37 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.03 1ckk h PHE 65 Cb 1.20 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1ckk h PHE 65 CO 0.57 0.02 -0.34 -1.00 -2.23 0.00 0.00 178.31 175.32 1ckk h PRO 66 N 0.16 0.56 -0.89 6.41 0.13 -1.96 -2.63 132.00 133.78 1ckk h PRO 66 Ca 0.14 -0.26 0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1ckk h PRO 66 Cb 0.15 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.22 1ckk h PRO 66 CO -0.19 0.83 0.58 1.49 -0.23 0.00 0.00 178.00 180.48 1ckk h GLU 67 N 0.48 1.11 0.26 0.86 4.81 -1.78 -2.11 114.58 118.19 1ckk h GLU 67 Ca 0.05 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1ckk h GLU 67 Cb 0.82 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1ckk h GLU 67 CO 0.07 0.73 -0.12 0.35 -0.73 0.00 0.00 179.01 179.31 1ckk h PHE 68 N 1.14 -0.32 -0.55 0.92 3.57 -1.21 -0.55 116.94 119.94 1ckk h PHE 68 Ca 0.35 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.00 1ckk h PHE 68 Cb -0.02 0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1ckk h PHE 68 CO -0.01 0.05 0.68 -0.07 -2.23 0.00 0.00 178.31 176.72 1ckk h LEU 69 N -0.83 0.00 0.00 0.59 4.07 -1.34 0.86 115.31 118.66 1ckk h LEU 69 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1ckk h LEU 69 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1ckk h LEU 69 CO 0.06 0.00 -1.35 0.41 -1.08 0.00 0.00 178.44 176.48 1ckk n THR 70 N -3.47 0.08 -0.01 0.22 -1.04 -0.81 -4.35 114.28 104.91 1ckk n THR 70 Ca 0.11 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 61.68 1ckk n THR 70 Cb 0.88 0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 69.64 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 0.56 0.00 -2.82 -1.53 0.24 -3.09 114.93 108.28 1ckk h MET 71 Ca 0.00 -0.52 0.00 0.00 -3.44 0.00 0.00 59.70 55.74 1ckk h MET 71 Cb 0.77 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.94 1ckk h MET 71 CO 0.00 1.14 0.21 1.98 0.14 0.00 0.00 176.91 180.39 1ckk h MET 72 N 0.15 0.00 0.00 0.39 -1.53 -1.69 0.11 114.93 112.37 1ckk h MET 72 Ca -0.07 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 1ckk h MET 72 Cb 1.33 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.38 1ckk h MET 72 CO 0.13 0.00 -1.21 0.00 0.14 0.00 0.00 176.91 175.97 1ckk n ALA 73 N -1.66 4.06 0.82 0.39 0.00 -1.17 -4.02 120.51 118.93 1ckk n ALA 73 Ca -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 53.01 1ckk n ALA 73 Cb 0.24 -0.71 0.20 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.68 0.12 -0.10 0.00 0.63 0.38 -4.11 116.66 111.90 1ckk n ARG 74 Ca 0.02 0.03 -0.14 0.00 -0.92 0.00 0.00 57.85 56.83 1ckk n ARG 74 Cb 0.37 -1.57 -0.14 0.00 0.45 0.00 0.00 32.46 31.57 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 -1.73 0.67 -1.69 -0.14 4.76 -1.17 -4.45 118.16 114.41 1ckk n LYS 75 Ca 0.04 0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 55.27 1ckk n LYS 75 Cb 0.38 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.97 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 -3.04 3.15 -3.50 1.97 2.81 -1.26 -3.22 117.12 114.03 1ckk n MET 76 Ca -0.37 -2.80 -0.27 0.00 -1.81 0.00 0.00 57.70 52.45 1ckk n MET 76 Cb 1.07 -2.30 -0.10 0.00 -0.71 0.00 0.00 33.22 31.18 1ckk n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ckk n LYS 77 N 1.01 0.77 -4.17 0.03 4.81 -1.26 -4.92 118.16 114.43 1ckk n LYS 77 Ca 0.53 -3.59 -0.33 0.00 -0.87 0.00 0.00 58.31 54.05 1ckk n LYS 77 Cb 0.44 -1.81 -0.08 0.00 0.02 0.00 0.00 35.03 33.60 1ckk n LYS 77 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1ckk n ASP 78 N 2.38 -0.42 0.00 3.14 5.68 -1.26 -4.63 116.55 121.44 1ckk n ASP 78 Ca 0.27 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.43 1ckk n ASP 78 Cb 0.45 -1.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1ckk n ASP 78 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1ckk n THR 79 N -3.94 0.00 -2.91 2.12 -2.24 -1.26 -5.01 114.28 101.04 1ckk n THR 79 Ca -0.09 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1ckk n THR 79 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1ckk n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ckk n ASP 80 N -1.26 -1.98 -0.08 3.42 2.03 -1.20 -4.97 116.55 112.52 1ckk n ASP 80 Ca 0.00 -3.03 -0.11 0.00 0.52 0.00 0.00 54.79 52.17 1ckk n ASP 80 Cb 0.00 0.99 -0.08 0.00 -0.72 0.00 0.00 41.12 41.31 1ckk n ASP 80 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ckk n SER 81 N 1.82 2.49 0.10 1.67 3.41 -1.26 -3.97 113.62 117.89 1ckk n SER 81 Ca 0.15 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.48 1ckk n SER 81 Cb 0.58 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 1ckk n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ckk h GLU 82 N 0.00 0.37 0.00 4.33 5.08 -1.97 -3.03 114.58 119.36 1ckk h GLU 82 Ca -0.38 -0.64 -0.10 0.00 -1.00 0.00 0.00 59.36 57.25 1ckk h GLU 82 Cb 1.63 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1ckk h GLU 82 CO -0.04 1.28 -0.47 1.49 -1.00 0.00 0.00 179.01 180.27 1ckk h GLU 83 N 0.10 0.00 -0.16 2.33 4.81 -1.94 -2.19 114.58 117.54 1ckk h GLU 83 Ca -0.24 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.83 1ckk h GLU 83 Cb 2.07 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.46 1ckk h GLU 83 CO 0.21 0.47 -0.53 0.93 -0.73 0.00 0.00 179.01 179.36 1ckk h GLU 84 N 0.00 0.63 -0.36 1.92 5.08 -1.69 -2.59 114.58 117.58 1ckk h GLU 84 Ca -0.00 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1ckk h GLU 84 Cb 0.97 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1ckk h GLU 84 CO 0.06 1.09 -0.30 0.82 -1.00 0.00 0.00 179.01 179.68 1ckk h ILE 85 N 0.30 1.28 0.00 3.13 2.04 -1.48 -1.95 117.51 120.83 1ckk h ILE 85 Ca -0.02 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1ckk h ILE 85 Cb 1.15 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1ckk h ILE 85 CO 0.11 0.48 -0.03 -0.09 0.00 0.00 0.00 178.15 178.62 1ckk h ARG 86 N 0.66 0.00 0.14 2.37 2.43 -1.37 -1.36 114.38 117.26 1ckk h ARG 86 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1ckk h ARG 86 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1ckk h ARG 86 CO 0.07 0.03 -0.07 0.93 -1.51 0.00 0.00 179.97 179.43 1ckk h GLU 87 N 0.00 -0.19 -0.51 0.20 5.08 -0.96 -2.54 114.58 115.67 1ckk h GLU 87 Ca -0.00 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1ckk h GLU 87 Cb 0.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1ckk h GLU 87 CO 0.00 0.26 0.42 0.00 -1.00 0.00 0.00 179.01 178.69 1ckk h ALA 88 N -0.33 2.36 -0.14 3.43 0.00 -1.04 0.46 119.26 124.00 1ckk h ALA 88 Ca -0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1ckk h ALA 88 Cb 0.53 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ckk h ALA 88 CO 0.03 -0.69 -0.18 0.35 0.00 0.00 0.00 179.25 178.76 1ckk h PHE 89 N 0.00 0.45 -0.14 0.00 3.57 -1.17 -2.48 116.94 117.17 1ckk h PHE 89 Ca 0.24 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.64 1ckk h PHE 89 Cb 1.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1ckk h PHE 89 CO 0.00 0.79 0.11 -0.09 -2.23 0.00 0.00 178.31 176.89 1ckk h ARG 90 N -0.03 0.00 -0.13 1.11 2.43 -0.49 0.18 114.38 117.46 1ckk h ARG 90 Ca 0.02 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 1ckk h ARG 90 Cb 0.74 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1ckk h ARG 90 CO 0.04 0.00 -0.81 0.28 -1.51 0.00 0.00 179.97 177.98 1ckk h VAL 91 N 0.00 1.29 -0.04 0.20 2.07 -1.18 -3.18 116.25 115.41 1ckk h VAL 91 Ca 0.06 -2.03 -0.15 0.00 0.82 0.00 0.00 66.70 65.40 1ckk h VAL 91 Cb 0.28 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ckk h VAL 91 CO -0.00 0.64 -0.65 -0.26 0.02 0.00 0.00 177.57 177.31 1ckk h PHE 92 N 0.49 0.22 -0.55 1.57 0.04 -0.75 -3.27 116.94 114.68 1ckk h PHE 92 Ca -0.06 -0.09 -0.49 0.00 2.80 0.00 0.00 57.97 60.13 1ckk h PHE 92 Cb 1.43 -0.04 -0.09 0.00 2.20 0.00 0.00 35.95 39.45 1ckk h PHE 92 CO 0.08 0.77 1.30 -0.25 -0.60 0.00 0.00 178.31 179.62 1ckk n ASP 93 N -3.82 6.92 -0.21 2.17 9.92 -0.08 -4.67 116.55 126.79 1ckk n ASP 93 Ca -0.02 -2.85 0.31 0.00 -0.53 0.00 0.00 54.79 51.70 1ckk n ASP 93 Cb 0.65 -1.38 0.70 0.00 -0.64 0.00 0.00 41.12 40.45 1ckk n ASP 93 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1ckk h LYS 94 N 3.75 0.00 0.12 -1.24 1.79 -1.71 0.18 116.57 119.45 1ckk h LYS 94 Ca 0.50 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.70 1ckk h LYS 94 Cb 0.78 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1ckk h LYS 94 CO 1.00 0.00 -1.36 0.38 -1.08 0.00 0.00 179.45 178.38 1ckk h ASP 95 N 0.00 0.38 0.00 0.86 2.03 -1.92 -3.48 116.42 114.29 1ckk h ASP 95 Ca 0.47 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 1ckk h ASP 95 Cb 2.12 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 40.49 1ckk h ASP 95 CO -0.00 1.60 0.00 0.61 -1.03 0.00 0.00 179.24 180.42 1ckk n GLY 96 N 1.73 0.82 0.14 7.15 0.00 0.05 -4.96 105.19 110.11 1ckk n GLY 96 Ca -0.24 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 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 0.35 0.00 1.61 -1.07 -1.94 -3.47 115.58 111.07 1ckk h ASN 97 Ca 0.00 -0.28 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1ckk h ASN 97 Cb 0.14 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.28 1ckk h ASN 97 CO 0.00 1.07 0.00 0.61 0.07 0.00 0.00 177.43 179.18 1ckk n GLY 98 N 0.86 1.92 3.64 9.14 0.00 -1.26 -5.12 105.19 114.36 1ckk n GLY 98 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.92 -0.83 0.49 1.61 2.02 -1.26 -4.70 117.35 112.76 1ckk s TYR 99 Ca 0.00 1.66 -0.13 0.00 -0.37 0.00 0.00 57.07 58.23 1ckk s TYR 99 Cb 0.00 0.50 -0.07 0.00 -0.40 0.00 0.00 41.96 41.99 1ckk s TYR 99 CO 0.00 -0.41 0.91 0.42 -1.57 0.00 0.00 175.55 174.90 1ckk s ILE 100 N 1.49 4.66 0.05 2.71 1.01 0.35 -4.79 121.20 126.69 1ckk s ILE 100 Ca -0.10 0.92 -0.06 0.00 0.00 0.00 0.00 60.65 61.41 1ckk s ILE 100 Cb -0.04 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1ckk s ILE 100 CO -0.18 -0.70 0.12 -0.55 0.00 0.00 0.00 174.94 173.64 1ckk s SER 101 N -3.29 0.18 0.36 3.58 0.15 -1.26 -1.95 113.70 111.47 1ckk s SER 101 Ca 0.55 -0.59 0.14 0.00 0.70 0.00 0.00 55.95 56.75 1ckk s SER 101 Cb -0.10 0.27 1.00 0.00 -1.71 0.00 0.00 66.02 65.47 1ckk s SER 101 CO 0.35 -0.59 1.75 0.00 1.20 0.00 0.00 173.24 175.95 1ckk h ALA 102 N 3.31 2.03 -0.25 5.45 0.00 -1.90 0.11 119.26 128.01 1ckk h ALA 102 Ca -0.33 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ckk h ALA 102 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ckk h ALA 102 CO 0.54 -0.46 0.09 0.00 0.00 0.00 0.00 179.25 179.42 1ckk h ALA 103 N 1.67 0.32 -0.73 0.00 0.00 -1.97 -2.46 119.26 116.08 1ckk h ALA 103 Ca 0.62 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.47 1ckk h ALA 103 Cb 1.37 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1ckk h ALA 103 CO -0.37 -0.07 0.48 0.93 0.00 0.00 0.00 179.25 180.21 1ckk h GLU 104 N 0.24 0.72 -0.14 0.00 5.08 -1.13 -1.89 114.58 117.46 1ckk h GLU 104 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ckk h GLU 104 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ckk h GLU 104 CO -0.01 0.48 0.08 -0.07 -1.00 0.00 0.00 179.01 178.49 1ckk h LEU 105 N 0.74 0.18 -1.44 1.33 3.38 -0.93 -1.99 115.31 116.59 1ckk h LEU 105 Ca 0.32 -0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.35 1ckk h LEU 105 Cb 0.30 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1ckk h LEU 105 CO -0.11 0.22 0.55 -0.09 0.09 0.00 0.00 178.44 179.10 1ckk h ARG 106 N 0.13 0.52 -0.36 1.13 9.65 -0.99 0.63 114.38 125.08 1ckk h ARG 106 Ca 0.05 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1ckk h ARG 106 Cb 0.08 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1ckk h ARG 106 CO -0.01 0.34 0.11 0.45 2.80 0.00 0.00 179.97 183.67 1ckk h HIS 107 N 0.53 0.58 0.00 2.20 3.86 -1.05 -2.03 115.15 119.24 1ckk h HIS 107 Ca 0.42 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.50 1ckk h HIS 107 Cb 0.85 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1ckk h HIS 107 CO -0.00 0.56 -0.35 0.28 0.86 0.00 0.00 177.93 179.28 1ckk h VAL 108 N 0.43 0.62 0.42 2.45 2.07 -0.70 -3.02 116.25 118.52 1ckk h VAL 108 Ca 0.12 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.80 1ckk h VAL 108 Cb 0.25 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1ckk h VAL 108 CO -0.00 0.35 -0.20 0.24 0.02 0.00 0.00 177.57 177.97 1ckk h MET 109 N 0.00 -0.55 -0.13 1.57 2.07 0.48 -2.02 114.93 116.34 1ckk h MET 109 Ca -0.00 0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.65 1ckk h MET 109 Cb 1.23 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 31.08 1ckk h MET 109 CO 0.05 -0.24 0.04 1.15 1.07 0.00 0.00 176.91 178.98 1ckk h THR 110 N -0.97 1.07 0.00 2.22 2.02 -1.35 0.19 112.91 116.08 1ckk h THR 110 Ca -0.06 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1ckk h THR 110 Cb 0.56 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1ckk h THR 110 CO 0.10 0.08 0.00 0.59 0.37 0.00 0.00 175.52 176.65 1ckk n ASN 111 N -4.47 0.00 -0.06 4.18 4.13 -1.14 -3.77 115.26 114.14 1ckk n ASN 111 Ca -0.01 -0.21 -0.10 0.00 1.68 0.00 0.00 54.58 55.94 1ckk n ASN 111 Cb 0.12 -0.23 -0.05 0.00 -1.54 0.00 0.00 39.78 38.08 1ckk n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ckk n LEU 112 N -1.23 1.97 0.00 3.41 4.77 0.42 -4.38 117.00 121.96 1ckk n LEU 112 Ca 0.14 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ckk n LEU 112 Cb 0.18 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1ckk n LEU 112 CO 0.19 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1ckk n GLY 113 N 2.65 -1.41 3.93 -0.72 0.00 0.19 -5.01 105.19 104.82 1ckk n GLY 113 Ca -0.21 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.14 1ckk n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ckk s GLU 114 N 0.00 2.83 -0.07 1.61 2.12 -1.23 -4.79 118.70 119.18 1ckk s GLU 114 Ca 0.00 -1.24 0.10 0.00 0.36 0.00 0.00 54.97 54.19 1ckk s GLU 114 Cb 0.00 -2.62 0.15 0.00 0.26 0.00 0.00 34.13 31.93 1ckk s GLU 114 CO 0.00 -0.04 1.04 1.63 -0.54 0.00 0.00 175.26 177.36 1ckk n LYS 115 N -1.58 1.42 -0.09 4.30 5.02 -1.26 -3.26 118.16 122.72 1ckk n LYS 115 Ca 0.02 -1.92 0.01 0.00 -2.02 0.00 0.00 58.31 54.39 1ckk n LYS 115 Cb 0.59 -1.15 -0.00 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.88 0.00 0.00 -0.35 4.32 -1.26 -4.85 117.00 113.98 1ckk n LEU 116 Ca 0.08 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.17 1ckk n LEU 116 Cb 0.54 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1ckk n LEU 116 CO 0.01 -0.35 0.00 0.41 -1.22 0.00 0.00 177.39 176.23 1ckk n THR 117 N -0.63 0.00 0.00 -5.08 -1.04 -1.26 -4.99 114.28 101.28 1ckk n THR 117 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ckk n THR 117 Cb 0.04 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1ckk n THR 117 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1ckk n ASP 118 N 0.00 0.00 0.06 8.00 -0.08 -1.26 -4.19 116.55 119.07 1ckk n ASP 118 Ca 0.00 0.00 0.19 0.00 -1.51 0.00 0.00 54.79 53.47 1ckk n ASP 118 Cb 0.00 -0.15 0.70 0.00 2.34 0.00 0.00 41.12 44.02 1ckk n ASP 118 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1ckk h GLU 119 N 0.00 0.00 -0.11 -0.67 4.11 -2.00 -0.13 114.58 115.77 1ckk h GLU 119 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1ckk h GLU 119 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ckk h GLU 119 CO 0.00 0.00 -0.25 0.93 0.07 0.00 0.00 179.01 179.76 1ckk h GLU 120 N 0.00 0.37 -0.58 1.06 5.08 -1.99 -2.26 114.58 116.26 1ckk h GLU 120 Ca 0.20 -0.25 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1ckk h GLU 120 Cb 0.85 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 1ckk h GLU 120 CO -0.00 0.85 0.23 0.28 -1.00 0.00 0.00 179.01 179.38 1ckk h VAL 121 N -0.06 0.82 0.92 3.13 2.07 -1.22 0.95 116.25 122.87 1ckk h VAL 121 Ca 0.00 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1ckk h VAL 121 Cb 0.85 0.35 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1ckk h VAL 121 CO 0.06 0.08 -0.44 0.44 0.02 0.00 0.00 177.57 177.72 1ckk h ASP 122 N 0.43 -1.05 -1.02 0.57 3.32 -1.32 -2.26 116.42 115.08 1ckk h ASP 122 Ca 0.29 0.03 0.26 0.00 0.02 0.00 0.00 57.03 57.63 1ckk h ASP 122 Cb 0.32 0.27 -0.11 0.00 0.22 0.00 0.00 39.33 40.03 1ckk h ASP 122 CO -0.27 -0.74 0.63 -0.33 -1.72 0.00 0.00 179.24 176.80 1ckk h GLU 123 N -1.26 0.48 -0.11 3.56 4.39 -1.04 0.12 114.58 120.73 1ckk h GLU 123 Ca -0.13 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1ckk h GLU 123 Cb 0.95 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 1ckk h GLU 123 CO 0.21 0.32 -0.37 1.98 -1.16 0.00 0.00 179.01 179.99 1ckk h MET 124 N 0.50 -0.44 -0.41 2.33 4.05 -0.22 0.22 114.93 120.96 1ckk h MET 124 Ca 0.64 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 60.19 1ckk h MET 124 Cb 1.37 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 32.25 1ckk h MET 124 CO -0.42 -0.30 0.29 0.82 0.23 0.00 0.00 176.91 177.54 1ckk h ILE 125 N -0.46 0.83 0.38 1.77 1.08 -0.74 -2.52 117.51 117.85 1ckk h ILE 125 Ca 0.08 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1ckk h ILE 125 Cb 0.59 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1ckk h ILE 125 CO -0.36 0.01 -0.18 -0.09 -0.69 0.00 0.00 178.15 176.84 1ckk h ARG 126 N 0.08 -0.50 -0.97 2.37 2.43 -0.17 -0.64 114.38 116.98 1ckk h ARG 126 Ca 0.19 0.03 0.32 0.00 -0.81 0.00 0.00 59.98 59.72 1ckk h ARG 126 Cb 0.67 0.11 -0.17 0.00 -0.42 0.00 0.00 29.97 30.16 1ckk h ARG 126 CO -0.02 -0.21 0.33 1.49 -1.51 0.00 0.00 179.97 180.06 1ckk h GLU 127 N -0.76 0.09 0.00 0.20 4.57 -0.83 1.08 114.58 118.93 1ckk h GLU 127 Ca -0.05 -0.01 -0.16 0.00 -1.18 0.00 0.00 59.36 57.96 1ckk h GLU 127 Cb 0.52 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1ckk h GLU 127 CO 0.09 0.06 -0.80 0.00 -1.18 0.00 0.00 179.01 177.18 1ckk h ALA 128 N 1.93 0.50 -0.25 2.92 0.00 -1.54 -3.36 119.26 119.46 1ckk h ALA 128 Ca 0.70 -0.72 -0.71 0.00 0.00 0.00 0.00 54.91 54.18 1ckk h ALA 128 Cb 1.63 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1ckk h ALA 128 CO -0.77 0.98 3.14 -3.47 0.00 0.00 0.00 179.25 179.13 1ckk n ASP 129 N -3.29 6.91 -0.33 0.00 2.03 0.37 -4.73 116.55 117.52 1ckk n ASP 129 Ca 0.01 -2.83 0.26 0.00 0.52 0.00 0.00 54.79 52.75 1ckk n ASP 129 Cb 0.85 -1.53 0.50 0.00 -0.72 0.00 0.00 41.12 40.22 1ckk n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ckk h ILE 130 N 3.27 0.22 -0.12 5.18 2.04 -1.72 1.57 117.51 127.95 1ckk h ILE 130 Ca 0.70 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 66.39 1ckk h ILE 130 Cb 0.42 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1ckk h ILE 130 CO 1.73 0.04 -0.31 -2.24 0.00 0.00 0.00 178.15 177.37 1ckk h ASP 131 N 0.24 0.23 -3.32 1.72 3.04 -1.90 -3.48 116.42 112.95 1ckk h ASP 131 Ca 0.76 -0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 54.46 1ckk h ASP 131 Cb 1.81 -0.06 0.01 0.00 -1.04 0.00 0.00 39.33 40.05 1ckk h ASP 131 CO -0.65 0.54 -0.04 0.61 -2.04 0.00 0.00 179.24 177.67 1ckk n GLY 132 N -0.43 -0.07 0.02 7.15 0.00 0.54 -5.01 105.19 107.39 1ckk n GLY 132 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.31 3.86 0.00 1.61 5.75 -1.26 -5.01 116.55 120.18 1ckk n ASP 133 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ckk n ASP 133 Cb 0.51 0.75 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 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 2.61 1.53 3.59 6.12 0.00 -1.26 -5.10 105.19 112.67 1ckk n GLY 134 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 0.53 0.09 1.61 -2.07 -1.26 -4.67 119.66 113.76 1ckk s GLN 135 Ca 0.00 0.14 0.06 0.00 -1.82 0.00 0.00 55.36 53.74 1ckk s GLN 135 Cb 0.00 0.25 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1ckk s GLN 135 CO 0.00 -0.16 -0.05 0.08 -1.32 0.00 0.00 175.29 173.84 1ckk s VAL 136 N -1.07 3.70 0.00 3.63 1.01 -0.82 -4.79 120.40 122.06 1ckk s VAL 136 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1ckk s VAL 136 Cb -0.01 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1ckk s VAL 136 CO 0.00 0.12 0.00 -0.46 0.00 0.00 0.00 175.10 174.77 1ckk n ASN 137 N 0.66 1.57 0.06 3.32 6.94 -1.26 0.13 115.26 126.68 1ckk n ASN 137 Ca -0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.41 1ckk n ASN 137 Cb 0.52 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.93 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 -0.16 -0.64 -2.53 3.20 -1.99 -2.56 116.97 112.29 1ckk h TYR 138 Ca 0.00 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1ckk h TYR 138 Cb 0.00 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.24 1ckk h TYR 138 CO 0.00 -0.10 -0.45 0.93 -1.64 0.00 0.00 178.16 176.90 1ckk h GLU 139 N -0.32 -0.08 -0.36 1.82 5.08 -1.98 -0.96 114.58 117.78 1ckk h GLU 139 Ca -0.02 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1ckk h GLU 139 Cb 0.13 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 1ckk h GLU 139 CO 0.03 -0.06 -0.54 0.93 -1.00 0.00 0.00 179.01 178.37 1ckk h GLU 140 N -0.09 -0.40 -1.47 2.33 5.08 -1.94 1.71 114.58 119.79 1ckk h GLU 140 Ca 0.10 0.03 0.43 0.00 -1.00 0.00 0.00 59.36 58.92 1ckk h GLU 140 Cb 0.36 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1ckk h GLU 140 CO -0.65 -0.27 1.22 0.35 -1.00 0.00 0.00 179.01 178.67 1ckk h PHE 141 N -0.42 0.00 0.00 4.33 3.04 -0.76 0.48 116.94 123.61 1ckk h PHE 141 Ca 0.06 0.00 -0.36 0.00 3.98 0.00 0.00 57.97 61.66 1ckk h PHE 141 Cb 0.59 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.04 1ckk h PHE 141 CO -0.70 0.00 -2.35 0.28 -2.02 0.00 0.00 178.31 173.52 1ckk n VAL 142 N -3.73 1.35 0.29 1.41 0.31 0.26 -3.30 118.33 114.91 1ckk n VAL 142 Ca 0.33 -0.76 0.19 0.00 -0.01 0.00 0.00 64.34 64.09 1ckk n VAL 142 Cb 1.67 -0.69 1.03 0.00 -0.91 0.00 0.00 33.84 34.95 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 0.00 0.00 5.55 -0.00 0.71 0.73 115.11 122.09 1ckk h GLN 143 Ca -0.53 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.05 1ckk h GLN 143 Cb 2.12 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 29.59 1ckk h GLN 143 CO 0.00 0.00 -1.44 -1.33 0.00 0.00 0.00 178.83 176.06 1ckk n MET 144 N -2.83 1.53 0.00 1.69 2.81 -0.87 -3.82 117.12 115.64 1ckk n MET 144 Ca -0.03 -0.04 0.10 0.00 -1.81 0.00 0.00 57.70 55.93 1ckk n MET 144 Cb 0.06 -1.19 -0.10 0.00 -0.71 0.00 0.00 33.22 31.28 1ckk n MET 144 CO 0.00 0.00 0.00 -0.12 1.51 0.00 0.00 175.97 177.36 1ckk n MET 145 N -2.03 0.33 0.00 0.03 1.56 -0.98 -4.66 117.12 111.37 1ckk n MET 145 Ca -0.07 -0.13 0.00 0.00 -0.27 0.00 0.00 57.70 57.23 1ckk n MET 145 Cb 0.48 -1.47 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 2.41 -0.73 0.00 0.00 175.97 177.65 1ckk n THR 146 N -1.30 0.00 -0.97 1.12 -1.04 0.24 -4.86 114.28 107.47 1ckk n THR 146 Ca 0.05 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.85 1ckk n THR 146 Cb 0.34 -0.27 -0.09 0.00 -1.82 0.00 0.00 70.33 68.48 1ckk n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ckk n ALA 147 N -0.99 6.03 0.81 2.41 0.00 -0.20 -5.00 120.51 123.57 1ckk n ALA 147 Ca 0.00 -2.18 0.10 0.00 0.00 0.00 0.00 53.44 51.36 1ckk n ALA 147 Cb 0.14 -2.71 0.08 0.00 0.00 0.00 0.00 19.45 16.96 1ckk n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67