#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ck2 n PRO 3 N 0.00 2.57 -0.33 0.00 -0.02 -1.26 -4.89 135.00 131.07 1ck2 n PRO 3 Ca 0.00 0.91 0.17 0.00 -2.02 0.00 0.00 63.50 62.57 1ck2 n PRO 3 Cb 0.00 -2.66 0.34 0.00 -0.02 0.00 0.00 33.50 31.16 1ck2 n PRO 3 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ck2 n VAL 4 N 1.79 -0.41 0.58 -1.45 3.14 -1.26 -0.56 118.33 120.16 1ck2 n VAL 4 Ca 0.08 2.10 0.12 0.00 -2.96 0.00 0.00 64.34 63.67 1ck2 n VAL 4 Cb 0.36 -3.12 0.12 0.00 -1.06 0.00 0.00 33.84 30.14 1ck2 n VAL 4 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1ck2 n LYS 5 N -5.39 0.28 -0.49 1.45 2.85 -1.26 -4.63 118.16 110.96 1ck2 n LYS 5 Ca 0.25 0.05 0.02 0.00 -1.05 0.00 0.00 58.31 57.58 1ck2 n LYS 5 Cb 0.84 -1.64 0.20 0.00 -0.65 0.00 0.00 35.03 33.77 1ck2 n LYS 5 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1ck2 n SER 6 N -2.04 3.49 0.31 -5.58 7.64 0.27 -4.26 113.62 113.45 1ck2 n SER 6 Ca 0.03 -2.52 0.20 0.00 1.01 0.00 0.00 58.87 57.58 1ck2 n SER 6 Cb 0.44 -0.61 0.97 0.00 -1.01 0.00 0.00 64.21 63.99 1ck2 n SER 6 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ck2 h GLN 7 N 1.96 0.00 0.13 1.43 1.08 -1.82 -2.23 115.11 115.65 1ck2 h GLN 7 Ca 0.03 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.89 1ck2 h GLN 7 Cb 1.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1ck2 h GLN 7 CO 0.29 0.01 -1.79 1.05 -0.95 0.00 0.00 178.83 177.44 1ck2 h GLU 8 N 0.00 0.27 0.04 1.46 9.09 -1.97 -3.35 114.58 120.12 1ck2 h GLU 8 Ca -0.00 -0.45 -0.00 0.00 0.05 0.00 0.00 59.36 58.95 1ck2 h GLU 8 Cb 0.24 0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1ck2 h GLU 8 CO 0.00 1.13 -0.02 0.77 0.05 0.00 0.00 179.01 180.94 1ck2 h SER 9 N 0.07 -0.05 -0.52 3.06 0.02 -1.75 0.11 113.55 114.49 1ck2 h SER 9 Ca -0.35 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 60.23 1ck2 h SER 9 Cb 2.05 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 64.57 1ck2 h SER 9 CO 0.13 0.35 0.32 -0.29 -1.14 0.00 0.00 176.83 176.20 1ck2 h ILE 10 N -0.46 1.16 0.07 3.27 -0.00 -1.66 -0.13 117.51 119.76 1ck2 h ILE 10 Ca -0.01 -0.35 0.01 0.00 -0.00 0.00 0.00 64.86 64.52 1ck2 h ILE 10 Cb 0.42 0.44 -0.04 0.00 -0.00 0.00 0.00 36.82 37.64 1ck2 h ILE 10 CO 0.01 0.16 -0.40 0.78 -0.00 0.00 0.00 178.15 178.70 1ck2 h ASN 11 N 0.70 -1.22 0.10 2.19 2.35 -1.66 0.54 115.58 118.59 1ck2 h ASN 11 Ca 0.19 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1ck2 h ASN 11 Cb -0.02 0.45 -0.03 0.00 0.05 0.00 0.00 38.32 38.78 1ck2 h ASN 11 CO -0.04 -0.42 -0.21 -0.61 -1.65 0.00 0.00 177.43 174.51 1ck2 h GLN 12 N -0.55 -0.37 -0.77 0.81 4.15 -0.69 -0.58 115.11 117.10 1ck2 h GLN 12 Ca -0.00 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1ck2 h GLN 12 Cb 0.57 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 1ck2 h GLN 12 CO -0.23 -0.25 0.34 -0.22 -1.93 0.00 0.00 178.83 176.54 1ck2 h LYS 13 N -0.39 1.13 -0.36 1.69 3.64 -0.99 0.68 116.57 121.98 1ck2 h LYS 13 Ca 0.03 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.10 1ck2 h LYS 13 Cb 0.41 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ck2 h LYS 13 CO -0.12 0.90 -0.25 1.25 -2.27 0.00 0.00 179.45 178.96 1ck2 h LEU 14 N 1.10 0.83 -0.51 5.20 6.46 -0.71 -0.32 115.31 127.36 1ck2 h LEU 14 Ca 0.26 -0.44 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 1ck2 h LEU 14 Cb 0.17 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 1ck2 h LEU 14 CO -0.03 1.09 0.17 0.00 -0.62 0.00 0.00 178.44 179.06 1ck2 h ALA 15 N 0.77 0.67 -0.96 1.25 0.00 -0.93 0.11 119.26 120.17 1ck2 h ALA 15 Ca 0.07 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.94 1ck2 h ALA 15 Cb 0.81 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1ck2 h ALA 15 CO 0.07 0.31 0.58 1.25 0.00 0.00 0.00 179.25 181.46 1ck2 h LEU 16 N 0.70 0.80 0.33 0.00 6.46 -0.77 -1.55 115.31 121.29 1ck2 h LEU 16 Ca 0.17 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1ck2 h LEU 16 Cb 0.25 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1ck2 h LEU 16 CO -0.01 0.39 -0.16 0.58 -0.62 0.00 0.00 178.44 178.62 1ck2 h VAL 17 N 0.86 0.67 -0.28 1.05 2.07 -0.69 -3.28 116.25 116.64 1ck2 h VAL 17 Ca 0.50 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1ck2 h VAL 17 Cb 0.60 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ck2 h VAL 17 CO -0.31 0.09 0.42 0.40 0.02 0.00 0.00 177.57 178.20 1ck2 h ILE 18 N -0.73 0.26 -1.17 4.57 2.04 -0.16 0.22 117.51 122.54 1ck2 h ILE 18 Ca -0.05 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.15 1ck2 h ILE 18 Cb 0.50 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1ck2 h ILE 18 CO 0.08 0.00 0.81 0.50 0.00 0.00 0.00 178.15 179.54 1ck2 h LYS 19 N 0.00 0.13 0.00 2.37 3.64 -1.37 -3.36 116.57 117.99 1ck2 h LYS 19 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1ck2 h LYS 19 Cb 0.97 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1ck2 h LYS 19 CO -0.00 0.09 0.00 -1.13 -2.27 0.00 0.00 179.45 176.14 1ck2 n SER 20 N -4.36 0.00 -4.87 4.20 3.41 -0.32 -5.15 113.62 106.54 1ck2 n SER 20 Ca 0.27 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.57 1ck2 n SER 20 Cb 1.17 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.14 1ck2 n SER 20 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ck2 s GLY 21 N 0.00 1.65 -0.35 5.00 0.00 0.64 -4.81 107.32 109.45 1ck2 s GLY 21 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 44.72 44.38 1ck2 s GLY 21 CO 0.00 0.16 0.69 0.54 0.00 0.00 0.00 173.10 174.49 1ck2 s LYS 22 N -5.21 3.74 0.41 2.90 3.01 0.28 -4.62 119.74 120.25 1ck2 s LYS 22 Ca 0.56 0.18 0.04 0.00 -1.01 0.00 0.00 55.97 55.74 1ck2 s LYS 22 Cb -0.11 -3.80 -0.04 0.00 -1.01 0.00 0.00 37.83 32.87 1ck2 s LYS 22 CO 0.54 -0.75 0.06 1.52 0.51 0.00 0.00 175.35 177.22 1ck2 s TYR 23 N 2.82 1.99 -0.00 3.18 1.13 -1.26 -0.62 117.35 124.59 1ck2 s TYR 23 Ca 0.27 -1.00 -0.10 0.00 -1.41 0.00 0.00 57.07 54.83 1ck2 s TYR 23 Cb -0.14 -1.41 0.01 0.00 -1.10 0.00 0.00 41.96 39.31 1ck2 s TYR 23 CO 0.15 0.05 0.19 -0.08 -2.51 0.00 0.00 175.55 173.36 1ck2 s THR 24 N -3.07 0.07 -0.03 -3.49 -1.32 0.19 -4.95 115.64 103.04 1ck2 s THR 24 Ca 0.25 -0.61 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 1ck2 s THR 24 Cb 0.06 -0.49 0.02 0.00 -1.51 0.00 0.00 72.50 70.57 1ck2 s THR 24 CO 0.13 -0.33 -0.03 -0.76 -2.21 0.00 0.00 174.62 171.41 1ck2 s LEU 25 N -1.34 1.43 0.00 9.08 1.43 -1.26 -1.48 118.68 126.54 1ck2 s LEU 25 Ca -0.14 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1ck2 s LEU 25 Cb -0.07 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.84 1ck2 s LEU 25 CO 0.02 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1ck2 n GLY 26 N 3.81 0.52 0.45 -3.19 0.00 -0.33 -4.52 105.19 101.92 1ck2 n GLY 26 Ca -0.23 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 1ck2 n GLY 26 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ck2 h TYR 27 N 0.00 -1.37 -0.86 1.61 3.20 -1.93 -0.52 116.97 117.11 1ck2 h TYR 27 Ca 0.00 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1ck2 h TYR 27 Cb 0.00 0.59 -0.06 0.00 1.54 0.00 0.00 36.73 38.80 1ck2 h TYR 27 CO 0.00 -0.55 0.52 -0.22 -1.64 0.00 0.00 178.16 176.27 1ck2 h LYS 28 N -0.67 0.91 0.30 1.82 3.64 -1.99 0.38 116.57 120.96 1ck2 h LYS 28 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ck2 h LYS 28 Cb 0.71 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1ck2 h LYS 28 CO -0.30 0.60 -0.15 0.77 -2.27 0.00 0.00 179.45 178.10 1ck2 h SER 29 N 0.94 -0.36 0.86 4.20 0.02 -1.58 -0.15 113.55 117.48 1ck2 h SER 29 Ca 0.38 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1ck2 h SER 29 Cb 0.21 0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.86 1ck2 h SER 29 CO -0.19 -0.25 -0.42 0.00 -1.14 0.00 0.00 176.83 174.83 1ck2 h THR 30 N -0.41 0.15 -0.70 -2.27 1.03 -0.93 -1.81 112.91 107.95 1ck2 h THR 30 Ca -0.04 0.00 0.12 0.00 -0.01 0.00 0.00 66.41 66.49 1ck2 h THR 30 Cb 0.32 0.15 -0.13 0.00 -1.07 0.00 0.00 68.15 67.42 1ck2 h THR 30 CO 0.06 0.00 -0.32 0.58 -0.01 0.00 0.00 175.52 175.83 1ck2 h VAL 31 N -1.16 0.15 -0.06 0.00 2.07 -0.83 0.32 116.25 116.74 1ck2 h VAL 31 Ca -0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ck2 h VAL 31 Cb 0.89 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1ck2 h VAL 31 CO 0.19 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 177.78 1ck2 h LYS 32 N -0.10 -0.58 -0.13 1.57 3.64 -1.06 -0.52 116.57 119.39 1ck2 h LYS 32 Ca 0.28 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1ck2 h LYS 32 Cb 0.56 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ck2 h LYS 32 CO -0.76 -0.39 -0.15 0.77 -2.27 0.00 0.00 179.45 176.65 1ck2 h SER 33 N -0.60 0.19 0.01 4.20 0.02 0.17 -0.64 113.55 116.90 1ck2 h SER 33 Ca 0.04 -0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 60.68 1ck2 h SER 33 Cb 0.69 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.20 1ck2 h SER 33 CO -0.39 0.36 -1.04 -0.07 -1.14 0.00 0.00 176.83 174.56 1ck2 h LEU 34 N 0.19 0.89 -2.09 5.07 3.38 -0.42 -3.18 115.31 119.16 1ck2 h LEU 34 Ca 0.04 -0.75 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 1ck2 h LEU 34 Cb 0.39 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ck2 h LEU 34 CO 0.02 1.53 -0.08 0.03 0.09 0.00 0.00 178.44 180.03 1ck2 h ARG 35 N 0.35 0.00 0.00 1.13 3.08 -0.67 0.60 114.38 118.87 1ck2 h ARG 35 Ca -0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ck2 h ARG 35 Cb 1.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1ck2 h ARG 35 CO 0.20 0.08 0.00 1.04 -1.07 0.00 0.00 179.97 180.23 1ck2 n GLN 36 N -3.68 0.67 0.00 0.04 6.02 -0.28 -4.94 117.38 115.21 1ck2 n GLN 36 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1ck2 n GLN 36 Cb 0.19 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1ck2 n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ck2 n GLY 37 N 0.33 1.01 0.08 1.08 0.00 0.20 -4.78 105.19 103.12 1ck2 n GLY 37 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ck2 n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ck2 n LYS 38 N 0.00 0.75 -0.96 1.61 4.81 -1.26 -4.42 118.16 118.69 1ck2 n LYS 38 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1ck2 n LYS 38 Cb 0.00 -1.06 0.21 0.00 0.02 0.00 0.00 35.03 34.19 1ck2 n LYS 38 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1ck2 s SER 39 N -1.08 1.97 0.00 3.14 1.04 -1.26 -4.69 113.70 112.81 1ck2 s SER 39 Ca 0.00 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1ck2 s SER 39 Cb 0.00 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1ck2 s SER 39 CO 0.00 -3.55 0.00 1.17 0.98 0.00 0.00 173.24 171.84 1ck2 n LYS 40 N -4.46 0.59 -3.73 4.02 3.00 -0.23 -4.64 118.16 112.71 1ck2 n LYS 40 Ca 0.04 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.20 1ck2 n LYS 40 Cb 0.56 -0.52 -0.15 0.00 0.00 0.00 0.00 35.03 34.93 1ck2 n LYS 40 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1ck2 s LEU 41 N -1.01 0.58 -0.02 3.14 1.98 -0.99 -0.56 118.68 121.80 1ck2 s LEU 41 Ca 0.00 0.24 0.03 0.00 -2.89 0.00 0.00 54.13 51.51 1ck2 s LEU 41 Cb 0.00 0.22 -0.03 0.00 0.66 0.00 0.00 46.19 47.04 1ck2 s LEU 41 CO 0.00 -0.17 -0.07 0.27 -1.89 0.00 0.00 176.35 174.48 1ck2 s ILE 42 N 1.46 3.62 -0.06 6.68 -4.36 0.52 -0.21 121.20 128.85 1ck2 s ILE 42 Ca -0.06 -0.70 0.04 0.00 -0.26 0.00 0.00 60.65 59.68 1ck2 s ILE 42 Cb -0.12 -2.54 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 1ck2 s ILE 42 CO -0.05 0.46 -0.19 -0.63 0.24 0.00 0.00 174.94 174.77 1ck2 s ILE 43 N -0.93 2.65 -0.42 8.37 -1.09 0.39 -0.53 121.20 129.64 1ck2 s ILE 43 Ca 0.15 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 1ck2 s ILE 43 Cb -0.11 -2.02 0.12 0.00 -1.58 0.00 0.00 42.46 38.87 1ck2 s ILE 43 CO 0.05 0.57 0.16 -0.63 -1.23 0.00 0.00 174.94 173.87 1ck2 s ILE 44 N -0.40 2.12 -0.67 2.92 1.01 -0.72 -1.00 121.20 124.46 1ck2 s ILE 44 Ca 0.04 -2.63 0.03 0.00 0.00 0.00 0.00 60.65 58.09 1ck2 s ILE 44 Cb -0.12 -2.53 0.35 0.00 0.01 0.00 0.00 42.46 40.17 1ck2 s ILE 44 CO 0.02 -0.72 1.23 0.00 0.00 0.00 0.00 174.94 175.46 1ck2 n ALA 45 N 3.80 5.15 -3.24 9.38 0.00 0.29 -1.12 120.51 134.78 1ck2 n ALA 45 Ca 0.04 -4.60 -0.13 0.00 0.00 0.00 0.00 53.44 48.75 1ck2 n ALA 45 Cb 0.37 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.64 1ck2 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ck2 s ALA 46 N -3.71 -0.79 -0.66 0.00 0.00 -1.26 -1.30 121.76 114.04 1ck2 s ALA 46 Ca 0.47 0.41 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 1ck2 s ALA 46 Cb 0.29 -0.01 -0.27 0.00 0.00 0.00 0.00 23.12 23.13 1ck2 s ALA 46 CO -0.16 -0.25 1.88 0.09 0.00 0.00 0.00 175.76 177.33 1ck2 n ASN 47 N 1.50 1.48 -4.33 0.00 4.13 -1.26 -4.86 115.26 111.92 1ck2 n ASN 47 Ca -0.20 -2.53 -0.41 0.00 1.68 0.00 0.00 54.58 53.12 1ck2 n ASN 47 Cb 0.56 -1.22 -0.10 0.00 -1.54 0.00 0.00 39.78 37.48 1ck2 n ASN 47 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ck2 s THR 48 N 11.87 4.44 0.92 3.41 2.01 -1.26 -5.10 115.64 131.93 1ck2 s THR 48 Ca 0.74 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1ck2 s THR 48 Cb 0.05 -3.60 0.14 0.00 0.01 0.00 0.00 72.50 69.10 1ck2 s THR 48 CO 0.24 -0.38 1.11 -2.16 -0.69 0.00 0.00 174.62 172.74 1ck2 s PRO 49 N 1.50 1.10 0.17 4.92 0.04 -1.26 -4.60 135.00 136.87 1ck2 s PRO 49 Ca 0.02 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.39 1ck2 s PRO 49 Cb -0.21 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 32.62 1ck2 s PRO 49 CO 0.05 -2.27 1.64 0.28 0.04 0.00 0.00 177.00 176.73 1ck2 h VAL 50 N -1.56 0.45 -0.53 -0.36 2.07 -1.98 0.62 116.25 114.95 1ck2 h VAL 50 Ca -0.51 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 1ck2 h VAL 50 Cb 1.31 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1ck2 h VAL 50 CO 0.59 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 178.17 1ck2 h LEU 51 N -0.09 0.81 -0.14 2.57 3.38 -1.98 0.33 115.31 120.20 1ck2 h LEU 51 Ca 0.20 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ck2 h LEU 51 Cb 0.40 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ck2 h LEU 51 CO -0.48 0.84 -0.14 -0.09 0.09 0.00 0.00 178.44 178.67 1ck2 h ARG 52 N 0.81 0.34 -0.47 1.13 9.65 -1.61 -1.15 114.38 123.08 1ck2 h ARG 52 Ca 0.17 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1ck2 h ARG 52 Cb 0.39 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.96 1ck2 h ARG 52 CO 0.01 0.73 0.21 1.57 2.80 0.00 0.00 179.97 185.29 1ck2 h LYS 53 N -0.03 0.69 -1.00 0.20 2.10 -0.88 -2.68 116.57 114.97 1ck2 h LYS 53 Ca 0.02 -0.11 0.07 0.00 -2.00 0.00 0.00 60.65 58.64 1ck2 h LYS 53 Cb 0.66 -0.12 -0.07 0.00 -0.90 0.00 0.00 32.23 31.80 1ck2 h LYS 53 CO 0.03 0.60 0.65 0.77 -2.00 0.00 0.00 179.45 179.50 1ck2 h SER 54 N 0.62 1.02 -0.16 7.07 0.02 -0.79 0.18 113.55 121.52 1ck2 h SER 54 Ca 0.16 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1ck2 h SER 54 Cb 0.15 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1ck2 h SER 54 CO -0.02 0.64 0.05 -0.08 -1.14 0.00 0.00 176.83 176.27 1ck2 h GLU 55 N 1.15 0.24 -0.65 3.45 4.81 -1.02 0.23 114.58 122.78 1ck2 h GLU 55 Ca 0.44 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1ck2 h GLU 55 Cb 0.22 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.53 1ck2 h GLU 55 CO -0.19 0.37 0.43 -0.07 -0.73 0.00 0.00 179.01 178.83 1ck2 h LEU 56 N 0.07 0.75 -1.05 1.64 3.38 -0.98 -1.34 115.31 117.78 1ck2 h LEU 56 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ck2 h LEU 56 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1ck2 h LEU 56 CO -0.00 0.54 0.50 -0.08 0.09 0.00 0.00 178.44 179.49 1ck2 h GLU 57 N 0.88 1.16 -0.25 1.13 4.81 -0.64 0.91 114.58 122.58 1ck2 h GLU 57 Ca 0.24 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1ck2 h GLU 57 Cb -0.10 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.03 1ck2 h GLU 57 CO -0.05 0.82 0.12 -0.92 -0.73 0.00 0.00 179.01 178.24 1ck2 h TYR 58 N 1.17 0.36 -0.46 0.92 3.20 -0.06 -0.37 116.97 121.74 1ck2 h TYR 58 Ca 0.30 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 1ck2 h TYR 58 Cb -0.03 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1ck2 h TYR 58 CO 0.01 0.35 -0.08 1.88 -1.64 0.00 0.00 178.16 178.67 1ck2 h TYR 59 N 0.27 0.88 0.00 -3.82 0.05 -0.90 0.88 116.97 114.33 1ck2 h TYR 59 Ca 0.09 -0.16 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1ck2 h TYR 59 Cb 0.12 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 37.63 1ck2 h TYR 59 CO -0.02 0.86 0.00 0.00 -1.05 0.00 0.00 178.16 177.94 1ck2 h ALA 60 N 1.17 1.00 0.07 3.88 0.00 -0.67 0.29 119.26 125.00 1ck2 h ALA 60 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.72 1ck2 h ALA 60 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ck2 h ALA 60 CO 0.03 0.00 -1.77 -0.12 0.00 0.00 0.00 179.25 177.40 1ck2 n MET 61 N -2.50 0.68 0.34 0.00 0.00 -0.16 -3.06 117.12 112.42 1ck2 n MET 61 Ca -0.00 0.37 -0.14 0.00 -0.00 0.00 0.00 57.70 57.93 1ck2 n MET 61 Cb 0.15 -1.71 -0.07 0.00 0.00 0.00 0.00 33.22 31.59 1ck2 n MET 61 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1ck2 h LEU 62 N -0.35 -0.79 -9.97 -0.89 3.38 -0.75 -3.41 115.31 102.53 1ck2 h LEU 62 Ca -0.41 0.03 -0.53 0.00 0.09 0.00 0.00 57.88 57.06 1ck2 h LEU 62 Cb 1.76 0.21 0.10 0.00 0.09 0.00 0.00 40.66 42.82 1ck2 h LEU 62 CO -0.04 -0.54 0.64 -0.94 0.09 0.00 0.00 178.44 177.65 1ck2 s SER 63 N -3.36 6.05 -1.16 -0.43 1.04 0.08 -4.92 113.70 111.01 1ck2 s SER 63 Ca -0.13 2.75 -0.18 0.00 0.48 0.00 0.00 55.95 58.87 1ck2 s SER 63 Cb 0.02 -2.64 0.10 0.00 0.10 0.00 0.00 66.02 63.59 1ck2 s SER 63 CO 0.40 -1.04 1.51 -0.54 0.98 0.00 0.00 173.24 174.54 1ck2 s LYS 64 N -2.40 3.86 0.20 4.02 -0.14 -1.26 -4.58 119.74 119.44 1ck2 s LYS 64 Ca 0.60 -1.89 0.04 0.00 -1.36 0.00 0.00 55.97 53.35 1ck2 s LYS 64 Cb -0.40 -5.29 -0.05 0.00 -1.68 0.00 0.00 37.83 30.41 1ck2 s LYS 64 CO 0.51 -2.06 -0.04 0.99 -0.76 0.00 0.00 175.35 173.99 1ck2 s THR 65 N 3.54 1.07 -0.08 2.17 2.01 -1.17 -4.67 115.64 118.51 1ck2 s THR 65 Ca 0.46 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1ck2 s THR 65 Cb 0.00 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 1ck2 s THR 65 CO -0.01 -0.48 -0.05 -0.75 -0.69 0.00 0.00 174.62 172.64 1ck2 s LYS 66 N -3.82 2.84 -0.16 4.92 2.47 0.27 -4.73 119.74 121.52 1ck2 s LYS 66 Ca 0.24 -0.51 -0.13 0.00 -1.56 0.00 0.00 55.97 54.00 1ck2 s LYS 66 Cb 0.04 -2.65 -0.05 0.00 -1.46 0.00 0.00 37.83 33.72 1ck2 s LYS 66 CO 0.06 0.66 0.27 0.08 0.16 0.00 0.00 175.35 176.57 1ck2 s VAL 67 N -0.78 5.32 -0.25 4.02 1.01 -1.26 -0.36 120.40 128.10 1ck2 s VAL 67 Ca 0.12 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1ck2 s VAL 67 Cb -0.11 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1ck2 s VAL 67 CO 0.02 0.40 -0.09 -0.47 0.00 0.00 0.00 175.10 174.96 1ck2 s TYR 68 N 0.41 2.96 -0.15 5.22 6.14 0.31 -4.96 117.35 127.28 1ck2 s TYR 68 Ca 0.15 -2.13 -0.29 0.00 0.64 0.00 0.00 57.07 55.44 1ck2 s TYR 68 Cb -0.13 -1.81 -0.01 0.00 0.42 0.00 0.00 41.96 40.43 1ck2 s TYR 68 CO 0.03 -0.84 1.09 0.71 0.64 0.00 0.00 175.55 177.18 1ck2 s TYR 69 N 1.20 3.29 -0.20 4.97 2.02 -1.26 -1.76 117.35 125.61 1ck2 s TYR 69 Ca -0.08 1.39 0.15 0.00 -0.37 0.00 0.00 57.07 58.16 1ck2 s TYR 69 Cb -0.20 -3.31 0.45 0.00 -0.40 0.00 0.00 41.96 38.50 1ck2 s TYR 69 CO -0.05 -0.75 1.18 0.34 -1.57 0.00 0.00 175.55 174.70 1ck2 n PHE 70 N 5.77 1.01 -1.42 2.71 7.35 -0.28 -0.29 117.46 132.31 1ck2 n PHE 70 Ca 0.11 -1.62 -0.41 0.00 -0.76 0.00 0.00 57.45 54.78 1ck2 n PHE 70 Cb 0.47 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 1ck2 n PHE 70 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1ck2 n GLN 71 N -0.59 2.42 0.00 -4.13 7.27 -0.89 -4.18 117.38 117.29 1ck2 n GLN 71 Ca 0.22 -2.22 0.04 0.00 0.07 0.00 0.00 57.00 55.10 1ck2 n GLN 71 Cb 0.88 -3.06 0.20 0.00 2.41 0.00 0.00 30.24 30.68 1ck2 n GLN 71 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ck2 n GLY 72 N 4.17 -0.49 2.38 1.69 0.00 -1.26 -4.87 105.19 106.80 1ck2 n GLY 72 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1ck2 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ck2 n GLY 73 N -0.61 0.32 0.00 -0.02 0.00 -1.26 -4.84 105.19 98.77 1ck2 n GLY 73 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ck2 n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ck2 n ASN 74 N -0.37 0.00 -0.09 1.61 5.03 -1.26 -4.82 115.26 115.36 1ck2 n ASN 74 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1ck2 n ASN 74 Cb 0.18 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 1ck2 n ASN 74 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ck2 n ASN 75 N -0.13 0.00 0.11 6.41 2.04 -1.26 -4.76 115.26 117.67 1ck2 n ASN 75 Ca 0.00 -0.48 0.17 0.00 -0.44 0.00 0.00 54.58 53.83 1ck2 n ASN 75 Cb 0.00 0.00 0.72 0.00 -2.53 0.00 0.00 39.78 37.97 1ck2 n ASN 75 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1ck2 h GLU 76 N 0.00 0.00 0.00 -3.83 3.07 -1.84 0.70 114.58 112.68 1ck2 h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ck2 h GLU 76 Cb 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 1ck2 h GLU 76 CO 0.00 0.00 -0.55 1.25 -1.40 0.00 0.00 179.01 178.31 1ck2 h LEU 77 N 0.00 0.00 -1.39 1.33 5.85 -1.90 -3.33 115.31 115.87 1ck2 h LEU 77 Ca 0.15 -0.17 0.21 0.00 0.84 0.00 0.00 57.88 58.91 1ck2 h LEU 77 Cb 0.65 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 1ck2 h LEU 77 CO -0.00 0.08 0.61 1.23 -0.34 0.00 0.00 178.44 180.03 1ck2 h GLY 78 N 4.47 1.09 -0.67 3.75 0.00 -1.12 -1.18 103.07 109.41 1ck2 h GLY 78 Ca 0.00 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 47.18 1ck2 h GLY 78 CO 0.00 -0.03 -0.53 -0.84 0.00 0.00 0.00 176.54 175.14 1ck2 h THR 79 N 0.48 0.02 0.08 4.70 2.02 -1.71 0.17 112.91 118.67 1ck2 h THR 79 Ca 0.51 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.68 1ck2 h THR 79 Cb 1.15 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1ck2 h THR 79 CO -0.23 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.62 1ck2 h ALA 80 N 0.39 -0.11 -0.17 6.16 0.00 -1.48 -3.41 119.26 120.64 1ck2 h ALA 80 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ck2 h ALA 80 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ck2 h ALA 80 CO -0.76 -0.36 0.00 1.33 0.00 0.00 0.00 179.25 179.45 1ck2 n VAL 81 N -4.96 0.00 -0.14 0.00 0.24 -0.85 -4.69 118.33 107.94 1ck2 n VAL 81 Ca -0.08 0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.69 1ck2 n VAL 81 Cb 0.22 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.17 1ck2 n VAL 81 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ck2 n GLY 82 N 2.01 0.09 4.81 7.63 0.00 -0.96 -5.04 105.19 113.73 1ck2 n GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ck2 n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ck2 n LYS 83 N -0.36 0.00 -0.07 1.61 4.01 0.55 -4.51 118.16 119.39 1ck2 n LYS 83 Ca 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 58.31 57.75 1ck2 n LYS 83 Cb 0.03 -1.75 -0.02 0.00 -0.51 0.00 0.00 35.03 32.79 1ck2 n LYS 83 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ck2 n LEU 84 N 0.00 1.66 -4.80 -0.35 4.77 -1.26 -4.83 117.00 112.19 1ck2 n LEU 84 Ca 0.00 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 56.23 1ck2 n LEU 84 Cb 0.00 -0.83 0.01 0.00 -2.33 0.00 0.00 43.42 40.28 1ck2 n LEU 84 CO 0.00 -0.46 0.72 0.72 -1.33 0.00 0.00 177.39 177.04 1ck2 s PHE 85 N -2.20 3.00 -0.12 -1.77 -0.12 -1.26 -5.01 117.98 110.50 1ck2 s PHE 85 Ca -0.15 1.50 0.19 0.00 -0.05 0.00 0.00 56.93 58.43 1ck2 s PHE 85 Cb 0.02 -3.00 -0.25 0.00 -0.63 0.00 0.00 43.02 39.16 1ck2 s PHE 85 CO 0.22 -1.12 0.40 0.54 -0.05 0.00 0.00 175.22 175.20 1ck2 n ARG 86 N -2.13 0.66 -2.23 1.99 3.00 -1.26 -4.71 116.66 111.97 1ck2 n ARG 86 Ca 0.09 -0.02 -0.32 0.00 -0.01 0.00 0.00 57.85 57.59 1ck2 n ARG 86 Cb 0.53 -1.59 -0.04 0.00 0.00 0.00 0.00 32.46 31.36 1ck2 n ARG 86 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ck2 s VAL 87 N -2.95 3.64 -0.03 1.55 1.01 -1.26 -4.28 120.40 118.09 1ck2 s VAL 87 Ca -0.08 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1ck2 s VAL 87 Cb 0.09 -4.47 -0.25 0.00 0.00 0.00 0.00 36.38 31.75 1ck2 s VAL 87 CO 0.85 -1.31 3.40 0.61 0.00 0.00 0.00 175.10 178.65 1ck2 n GLY 88 N 6.59 2.88 3.58 4.51 0.00 -0.42 -4.65 105.19 117.68 1ck2 n GLY 88 Ca 0.40 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1ck2 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ck2 s VAL 89 N 1.17 5.16 0.09 1.61 0.11 -1.26 -0.55 120.40 126.73 1ck2 s VAL 89 Ca 0.62 0.34 0.02 0.00 -2.93 0.00 0.00 61.98 60.03 1ck2 s VAL 89 Cb 0.29 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1ck2 s VAL 89 CO -0.00 0.04 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.05 1ck2 s VAL 90 N 2.07 0.67 0.01 2.04 1.01 -0.17 -1.19 120.40 124.83 1ck2 s VAL 90 Ca 0.14 -1.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.18 1ck2 s VAL 90 Cb -0.16 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1ck2 s VAL 90 CO 0.11 -0.79 0.34 -0.44 0.00 0.00 0.00 175.10 174.32 1ck2 s SER 91 N -2.79 -0.21 -0.04 3.32 0.01 -0.55 -0.46 113.70 112.98 1ck2 s SER 91 Ca 0.08 0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.43 1ck2 s SER 91 Cb 0.03 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.59 1ck2 s SER 91 CO -0.04 -0.52 -0.21 -0.63 0.41 0.00 0.00 173.24 172.25 1ck2 s ILE 92 N -1.76 1.69 -0.04 1.44 -1.09 0.70 -0.64 121.20 121.51 1ck2 s ILE 92 Ca -0.10 -0.87 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 1ck2 s ILE 92 Cb -0.03 -1.43 -0.02 0.00 -1.58 0.00 0.00 42.46 39.39 1ck2 s ILE 92 CO 0.02 0.48 -0.04 0.18 -1.23 0.00 0.00 174.94 174.35 1ck2 n LEU 93 N 2.96 2.22 -3.61 2.97 4.32 0.21 -1.07 117.00 125.00 1ck2 n LEU 93 Ca -0.17 -0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.52 1ck2 n LEU 93 Cb 0.53 -0.14 -0.14 0.00 -1.62 0.00 0.00 43.42 42.05 1ck2 n LEU 93 CO 0.25 0.43 -0.32 -1.61 -1.22 0.00 0.00 177.39 174.92 1ck2 s GLU 94 N -2.08 0.52 -1.22 3.23 8.01 -1.15 -4.54 118.70 121.47 1ck2 s GLU 94 Ca -0.06 -0.97 -0.09 0.00 0.01 0.00 0.00 54.97 53.87 1ck2 s GLU 94 Cb 0.02 -1.57 -0.07 0.00 -4.31 0.00 0.00 34.13 28.20 1ck2 s GLU 94 CO 0.09 -1.05 2.45 0.00 0.01 0.00 0.00 175.26 176.76 1ck2 n ALA 95 N 4.78 5.83 -0.19 5.21 0.00 -1.26 -0.56 120.51 134.33 1ck2 n ALA 95 Ca -0.01 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.66 1ck2 n ALA 95 Cb 0.41 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.64 1ck2 n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ck2 n GLY 96 N 3.75 1.67 0.00 0.00 0.00 -1.26 -4.08 105.19 105.27 1ck2 n GLY 96 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1ck2 n GLY 96 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ck2 n ASP 97 N 1.56 0.00 -4.73 1.61 -0.08 -1.26 -4.70 116.55 108.95 1ck2 n ASP 97 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1ck2 n ASP 97 Cb 0.31 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.70 1ck2 n ASP 97 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ck2 s SER 98 N 1.28 5.19 0.00 1.67 0.15 -1.26 -5.04 113.70 115.69 1ck2 s SER 98 Ca 0.00 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1ck2 s SER 98 Cb 0.00 -1.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1ck2 s SER 98 CO 0.00 0.14 0.00 -0.90 1.20 0.00 0.00 173.24 173.68 1ck2 n ASP 99 N 0.22 0.00 -0.08 5.45 5.75 -1.26 -4.62 116.55 122.01 1ck2 n ASP 99 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.58 1ck2 n ASP 99 Cb 0.53 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.58 1ck2 n ASP 99 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ck2 h ILE 100 N 0.00 0.16 0.00 2.12 2.10 -1.93 0.13 117.51 120.09 1ck2 h ILE 100 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1ck2 h ILE 100 Cb 0.00 0.16 0.00 0.00 -1.09 0.00 0.00 36.82 35.89 1ck2 h ILE 100 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1ck2 n LEU 101 N -5.42 0.00 -0.00 2.19 -0.00 -1.26 -0.16 117.00 112.35 1ck2 n LEU 101 Ca -0.01 0.50 0.06 0.00 -0.00 0.00 0.00 56.01 56.55 1ck2 n LEU 101 Cb 0.35 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.19 1ck2 n LEU 101 CO 0.08 -0.48 -0.30 1.07 -0.00 0.00 0.00 177.39 177.76 1ck2 n THR 102 N -1.50 0.00 -0.08 1.47 5.66 0.31 -4.60 114.28 115.54 1ck2 n THR 102 Ca 0.00 -0.25 -0.17 0.00 -3.05 0.00 0.00 64.05 60.59 1ck2 n THR 102 Cb 0.01 0.66 -0.07 0.00 -1.55 0.00 0.00 70.33 69.38 1ck2 n THR 102 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1ck2 n THR 103 N -1.56 0.94 -0.26 1.09 -2.24 -0.38 -4.55 114.28 107.32 1ck2 n THR 103 Ca 0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1ck2 n THR 103 Cb 0.24 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1ck2 n THR 103 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ck2 n LEU 104 N -3.55 4.33 -0.84 3.22 -0.00 0.78 -5.07 117.00 115.87 1ck2 n LEU 104 Ca -0.33 -1.97 0.13 0.00 -0.00 0.00 0.00 56.01 53.84 1ck2 n LEU 104 Cb 0.76 -0.90 0.21 0.00 -0.00 0.00 0.00 43.42 43.49 1ck2 n LEU 104 CO 0.06 0.81 0.69 0.00 -0.00 0.00 0.00 177.39 178.95