#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ckc s ASP 2564N 0.00 6.57 0.63 -1.43 2.15 -1.26 -4.92 116.67 118.40 2ckc s ASP 2564Ca 0.00 2.21 0.36 0.00 0.43 0.00 0.00 52.55 55.55 2ckc s ASP 2564Cb 0.00 -2.60 2.05 0.00 -0.30 0.00 0.00 42.92 42.07 2ckc s ASP 2564CO 0.00 -0.63 2.27 1.55 -0.17 0.00 0.00 175.17 178.18 2ckc h PRO 2565N 2.50 0.00 0.00 4.34 0.13 -1.99 -2.36 132.00 134.63 2ckc h PRO 2565Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2ckc h PRO 2565Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ckc h PRO 2565CO 0.62 0.00 -0.70 0.22 -0.23 0.00 0.00 178.00 177.91 2ckc h ASP 2566N 0.00 0.00 -2.64 1.44 3.58 -1.95 -0.75 116.42 116.10 2ckc h ASP 2566Ca 0.01 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.94 2ckc h ASP 2566Cb 0.11 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.21 2ckc h ASP 2566CO -0.00 0.02 1.03 -0.89 -2.88 0.00 0.00 179.24 176.52 2ckc s THR 2567N -3.30 2.14 0.31 2.25 2.01 -0.89 -4.64 115.64 113.52 2ckc s THR 2567Ca 0.02 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 2ckc s THR 2567Cb 0.08 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.48 2ckc s THR 2567CO 0.75 0.00 1.04 -0.13 -0.69 0.00 0.00 174.62 175.59 2ckc s ARG 2568N 1.48 4.55 -0.38 4.92 1.81 -1.26 -0.38 118.95 129.68 2ckc s ARG 2568Ca 0.76 1.61 0.00 0.00 -1.72 0.00 0.00 55.73 56.38 2ckc s ARG 2568Cb -0.49 -2.99 0.11 0.00 -0.45 0.00 0.00 34.95 31.13 2ckc s ARG 2568CO 0.33 0.18 0.14 0.42 -0.68 0.00 0.00 175.30 175.69 2ckc s ILE 2569N -1.35 2.84 -0.32 1.52 -1.09 0.59 -4.86 121.20 118.53 2ckc s ILE 2569Ca 0.48 -2.20 -0.28 0.00 -2.23 0.00 0.00 60.65 56.42 2ckc s ILE 2569Cb -0.27 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 2ckc s ILE 2569CO 0.34 -0.65 2.07 -2.84 -1.23 0.00 0.00 174.94 172.62 2ckc s PRO 2570N 1.02 3.04 0.28 2.79 0.02 -1.26 -3.84 135.00 137.06 2ckc s PRO 2570Ca 0.10 1.64 0.04 0.00 0.02 0.00 0.00 61.00 62.79 2ckc s PRO 2570Cb -0.21 -4.34 -0.06 0.00 0.02 0.00 0.00 34.50 29.91 2ckc s PRO 2570CO -0.06 -2.21 0.04 0.14 -0.33 0.00 0.00 177.00 174.58 2ckc s VAL 2571N 8.33 1.09 0.01 3.83 -7.23 -0.44 -0.78 120.40 125.22 2ckc s VAL 2571Ca 0.90 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2ckc s VAL 2571Cb -0.26 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2ckc s VAL 2571CO 0.32 -0.12 -0.02 -0.51 -0.31 0.00 0.00 175.10 174.47 2ckc s ILE 2572N -3.38 0.08 -0.40 -0.62 2.07 0.53 -0.32 121.20 119.16 2ckc s ILE 2572Ca 0.34 -0.42 -0.14 0.00 -1.41 0.00 0.00 60.65 59.02 2ckc s ILE 2572Cb 0.07 -0.15 0.02 0.00 0.13 0.00 0.00 42.46 42.54 2ckc s ILE 2572CO 0.13 -0.21 0.28 0.21 -1.91 0.00 0.00 174.94 173.44 2ckc s ASN 2573N -0.65 6.05 0.35 4.50 2.47 0.11 -0.26 114.94 127.50 2ckc s ASN 2573Ca -0.07 -0.90 0.10 0.00 0.42 0.00 0.00 52.86 52.41 2ckc s ASN 2573Cb -0.04 -2.14 0.64 0.00 -1.45 0.00 0.00 41.25 38.25 2ckc s ASN 2573CO -0.00 -0.43 1.79 -0.07 -3.72 0.00 0.00 177.10 174.67 2ckc h LEU 2574N 8.60 0.11 -1.09 3.21 3.38 -1.40 0.38 115.31 128.49 2ckc h LEU 2574Ca -0.27 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2ckc h LEU 2574Cb 1.12 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2ckc h LEU 2574CO 0.72 0.46 0.16 1.05 0.09 0.00 0.00 178.44 180.93 2ckc h GLU 2575N 0.10 0.81 0.00 1.13 4.11 -1.94 -3.27 114.58 115.52 2ckc h GLU 2575Ca 0.01 -0.15 -0.23 0.00 0.07 0.00 0.00 59.36 59.07 2ckc h GLU 2575Cb 0.68 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2ckc h GLU 2575CO 0.05 0.71 -1.86 -3.47 0.07 0.00 0.00 179.01 174.51 2ckc n ASP 2576N -4.30 1.98 0.00 3.06 2.03 -1.09 -5.00 116.55 113.23 2ckc n ASP 2576Ca 0.04 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.35 2ckc n ASP 2576Cb 0.20 0.74 0.00 0.00 -0.72 0.00 0.00 41.12 41.34 2ckc n ASP 2576CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ckc n GLY 2577N 2.26 0.84 3.72 0.27 0.00 0.13 -5.05 105.19 107.36 2ckc n GLY 2577Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2ckc n GLY 2577CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ckc s THR 2578N -2.03 2.89 -0.04 2.61 2.01 -1.09 -4.80 115.64 115.19 2ckc s THR 2578Ca 0.00 0.63 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 2ckc s THR 2578Cb 0.00 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.13 2ckc s THR 2578CO 0.00 0.05 0.00 -0.60 -0.69 0.00 0.00 174.62 173.38 2ckc s ARG 2579N 1.20 0.40 -0.31 4.92 3.52 -1.26 0.04 118.95 127.46 2ckc s ARG 2579Ca 0.68 0.11 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 2ckc s ARG 2579Cb -0.41 -0.67 0.09 0.00 -1.56 0.00 0.00 34.95 32.40 2ckc s ARG 2579CO 0.31 -0.20 0.03 -0.51 -0.81 0.00 0.00 175.30 174.11 2ckc s LEU 2580N 1.45 3.68 0.20 -0.88 2.01 0.57 -4.99 118.68 120.72 2ckc s LEU 2580Ca -0.04 -1.80 0.08 0.00 0.01 0.00 0.00 54.13 52.38 2ckc s LEU 2580Cb -0.13 -1.36 -0.05 0.00 0.01 0.00 0.00 46.19 44.66 2ckc s LEU 2580CO -0.03 -0.35 -0.16 0.68 1.01 0.00 0.00 176.35 177.51 2ckc s VAL 2581N 1.17 1.83 0.00 -1.59 -7.23 -1.26 -1.32 120.40 111.99 2ckc s VAL 2581Ca 0.06 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 2ckc s VAL 2581Cb -0.19 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2ckc s VAL 2581CO -0.12 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 2ckc n GLY 2582N -0.22 3.29 0.14 2.32 0.00 -1.26 -2.11 105.19 107.34 2ckc n GLY 2582Ca -0.09 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2ckc n GLY 2582CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ckc h GLU 2583N 0.00 0.00 -0.00 1.61 9.09 -2.01 -3.05 114.58 120.22 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ckc h GLU 2583Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ckc h GLU 2583CO 0.00 0.00 -0.28 -0.25 0.05 0.00 0.00 179.01 178.53 2ckc n ASP 2584N -2.61 0.34 -4.75 3.06 8.00 -0.90 -4.87 116.55 114.83 2ckc n ASP 2584Ca 0.03 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.08 2ckc n ASP 2584Cb 0.49 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 2ckc n ASP 2584CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ckc s ALA 2585N -2.93 3.38 0.73 2.24 0.00 -1.15 -4.53 121.76 119.50 2ckc s ALA 2585Ca 0.14 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.78 2ckc s ALA 2585Cb 0.18 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 20.03 2ckc s ALA 2585CO 0.61 -0.10 1.14 -1.25 0.00 0.00 0.00 175.76 176.16 2ckc s PRO 2586N -1.08 2.32 0.37 0.00 0.04 -1.25 -4.57 135.00 130.83 2ckc s PRO 2586Ca 0.45 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.74 2ckc s PRO 2586Cb -0.30 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 2ckc s PRO 2586CO 0.37 -1.64 0.94 0.15 0.04 0.00 0.00 177.00 176.86 2ckc s LYS 2587N -4.23 4.41 0.52 4.56 1.02 -1.26 -0.30 119.74 124.46 2ckc s LYS 2587Ca 0.68 1.21 0.23 0.00 0.02 0.00 0.00 55.97 58.11 2ckc s LYS 2587Cb -0.23 -2.53 1.36 0.00 -0.52 0.00 0.00 37.83 35.91 2ckc s LYS 2587CO 0.47 0.15 2.03 -0.97 -0.92 0.00 0.00 175.35 176.10 2ckc h ASN 2588N 2.61 0.01 -0.46 2.83 -1.24 -0.31 0.68 115.58 119.69 2ckc h ASN 2588Ca -0.48 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.46 2ckc h ASN 2588Cb 1.19 -0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.21 2ckc h ASN 2588CO 0.63 0.01 0.04 0.07 -1.29 0.00 0.00 177.43 176.89 2ckc h LYS 2589N 0.02 0.86 -0.21 6.67 2.10 -1.42 -2.89 116.57 121.69 2ckc h LYS 2589Ca 0.20 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2ckc h LYS 2589Cb 0.77 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2ckc h LYS 2589CO -0.01 0.84 0.00 -0.25 -2.00 0.00 0.00 179.45 178.03 2ckc n ASP 2590N -4.22 3.25 -0.17 7.07 8.00 -0.10 -4.32 116.55 126.06 2ckc n ASP 2590Ca 0.03 -2.00 -0.05 0.00 0.71 0.00 0.00 54.79 53.48 2ckc n ASP 2590Cb 0.29 -0.13 0.04 0.00 -0.02 0.00 0.00 41.12 41.30 2ckc n ASP 2590CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2ckc h LEU 2591N 4.62 0.49 -1.12 0.64 5.85 -0.73 -1.10 115.31 123.96 2ckc h LEU 2591Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2ckc h LEU 2591Cb 1.00 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2ckc h LEU 2591CO 0.00 0.34 0.60 -0.37 -0.34 0.00 0.00 178.44 178.67 2ckc h VAL 2592N 0.60 1.09 -0.32 1.05 -1.51 -1.75 0.19 116.25 115.60 2ckc h VAL 2592Ca 0.21 -0.37 -0.09 0.00 -1.23 0.00 0.00 66.70 65.22 2ckc h VAL 2592Cb 0.04 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.10 2ckc h VAL 2592CO -0.10 0.20 -0.13 -0.33 -1.23 0.00 0.00 177.57 175.98 2ckc h GLU 2593N 1.08 0.66 -0.71 5.19 4.39 -1.63 -1.20 114.58 122.36 2ckc h GLU 2593Ca 0.39 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2ckc h GLU 2593Cb 0.14 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2ckc h GLU 2593CO -0.14 0.86 0.18 2.35 -1.16 0.00 0.00 179.01 181.10 2ckc h TRP 2594N 0.43 1.19 -0.31 4.33 7.01 -0.47 -2.43 115.95 125.70 2ckc h TRP 2594Ca 0.07 -0.14 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 2ckc h TRP 2594Cb 0.65 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2ckc h TRP 2594CO 0.06 0.96 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.57 2ckc h LEU 2595N 1.08 0.45 -1.43 0.65 4.07 -0.39 0.11 115.31 119.85 2ckc h LEU 2595Ca 0.23 -0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 2ckc h LEU 2595Cb 0.36 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 2ckc h LEU 2595CO 0.00 0.53 -0.05 0.11 -1.08 0.00 0.00 178.44 177.95 2ckc h LYS 2596N 0.46 0.30 0.00 1.13 1.57 -0.73 -2.92 116.57 116.38 2ckc h LYS 2596Ca 0.10 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2ckc h LYS 2596Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2ckc h LYS 2596CO 0.01 0.38 -1.29 1.28 -0.57 0.00 0.00 179.45 179.26 2ckc n LEU 2597N -4.32 0.77 -3.80 2.94 4.77 -0.61 -4.66 117.00 112.10 2ckc n LEU 2597Ca -0.00 0.32 -0.28 0.00 -0.03 0.00 0.00 56.01 56.01 2ckc n LEU 2597Cb 0.23 0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 2ckc n LEU 2597CO 0.38 -0.02 -0.13 -1.00 -1.33 0.00 0.00 177.39 175.29 2ckc s HIS 2598N -3.17 2.92 -1.00 -1.77 3.76 0.28 -4.86 115.29 111.44 2ckc s HIS 2598Ca -0.02 -3.04 0.22 0.00 -0.15 0.00 0.00 55.06 52.06 2ckc s HIS 2598Cb 0.09 -2.32 0.92 0.00 1.11 0.00 0.00 32.58 32.38 2ckc s HIS 2598CO 0.81 -0.65 1.69 -0.35 -0.85 0.00 0.00 174.74 175.40 2ckc n PRO 2599N 2.44 0.00 -0.53 8.40 -0.04 -1.25 -2.76 135.00 141.27 2ckc n PRO 2599Ca 0.18 0.13 0.07 0.00 -0.04 0.00 0.00 63.50 63.85 2ckc n PRO 2599Cb 0.37 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.62 2ckc n PRO 2599CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2ckc n THR 2600N -1.50 1.57 -2.53 0.52 -2.24 -1.26 -4.96 114.28 103.87 2ckc n THR 2600Ca 0.05 -0.97 -0.23 0.00 -2.27 0.00 0.00 64.05 60.63 2ckc n THR 2600Cb 0.25 0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.57 2ckc n THR 2600CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2ckc s TYR 2601N -1.86 2.14 -0.19 4.78 1.13 -1.11 -1.10 117.35 121.14 2ckc s TYR 2601Ca 0.42 -0.09 -0.20 0.00 -1.41 0.00 0.00 57.07 55.79 2ckc s TYR 2601Cb 0.28 -2.98 0.05 0.00 -1.10 0.00 0.00 41.96 38.21 2ckc s TYR 2601CO 0.19 -1.45 0.56 0.99 -2.51 0.00 0.00 175.55 173.33 2ckc s THR 2602N -3.06 0.00 -0.05 -3.49 2.01 0.64 -4.78 115.64 106.91 2ckc s THR 2602Ca 0.63 -0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.33 2ckc s THR 2602Cb -0.07 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 2ckc s THR 2602CO 0.43 -0.01 0.89 -0.69 -0.69 0.00 0.00 174.62 174.55 2ckc s VAL 2603N 0.14 4.91 -0.00 3.82 1.01 -1.26 -0.35 120.40 128.66 2ckc s VAL 2603Ca -0.01 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.83 2ckc s VAL 2603Cb -0.04 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.86 2ckc s VAL 2603CO 0.01 0.15 0.83 -0.78 0.00 0.00 0.00 175.10 175.32 2ckc h ASP 2604N 6.87 0.27 -3.41 3.32 3.58 -1.24 -3.44 116.42 122.37 2ckc h ASP 2604Ca -0.39 -0.41 -0.59 0.00 0.42 0.00 0.00 57.03 56.06 2ckc h ASP 2604Cb 1.20 -0.09 -0.10 0.00 1.72 0.00 0.00 39.33 42.06 2ckc h ASP 2604CO 0.77 1.35 -0.11 -0.32 -2.88 0.00 0.00 179.24 178.04 2ckc s MET 2605N -2.62 4.25 0.30 0.28 1.75 -0.66 -4.97 119.30 117.62 2ckc s MET 2605Ca -0.08 0.38 0.05 0.00 -1.25 0.00 0.00 55.69 54.79 2ckc s MET 2605Cb 0.07 -3.51 0.74 0.00 2.84 0.00 0.00 34.83 34.98 2ckc s MET 2605CO 0.84 -0.00 1.73 -1.35 -0.65 0.00 0.00 175.02 175.58 2ckc h PRO 2606N 7.14 0.53 0.00 4.11 0.11 -1.92 -3.45 132.00 138.52 2ckc h PRO 2606Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2ckc h PRO 2606Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ckc h PRO 2606CO 0.74 0.35 0.00 0.43 -0.21 0.00 0.00 178.00 179.31 2ckc n SER 2607N -4.93 0.00 -3.73 -2.05 7.64 -1.26 -4.71 113.62 104.58 2ckc n SER 2607Ca 0.23 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 2ckc n SER 2607Cb 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.82 2ckc n SER 2607CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2ckc s TYR 2608N 0.00 -0.12 -0.06 1.43 1.13 -1.26 -5.14 117.35 113.33 2ckc s TYR 2608Ca 0.00 -0.22 -0.26 0.00 -1.41 0.00 0.00 57.07 55.18 2ckc s TYR 2608Cb 0.00 0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 41.49 2ckc s TYR 2608CO 0.00 -0.90 0.82 0.54 -2.51 0.00 0.00 175.55 173.50 2ckc s VAL 2609N -3.28 4.96 -0.50 -3.49 0.11 -1.26 -4.97 120.40 111.97 2ckc s VAL 2609Ca 0.13 1.70 -0.27 0.00 -2.93 0.00 0.00 61.98 60.61 2ckc s VAL 2609Cb -0.02 -4.16 -0.08 0.00 -1.53 0.00 0.00 36.38 30.59 2ckc s VAL 2609CO 0.03 0.18 2.42 -2.65 -3.33 0.00 0.00 175.10 171.75 2ckc n PRO 2610N 4.08 1.04 0.03 1.54 -0.02 -1.26 -4.82 135.00 135.58 2ckc n PRO 2610Ca 0.02 0.03 -0.13 0.00 -2.02 0.00 0.00 63.50 61.41 2ckc n PRO 2610Cb 0.51 -3.31 -0.09 0.00 -0.02 0.00 0.00 33.50 30.59 2ckc n PRO 2610CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2ckc h LYS 2611N 18.81 -0.09 -4.48 -0.52 1.57 -2.05 -3.38 116.57 126.43 2ckc h LYS 2611Ca -0.24 0.01 -0.72 0.00 -1.87 0.00 0.00 60.65 57.82 2ckc h LYS 2611Cb 1.27 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.39 2ckc h LYS 2611CO 1.16 0.32 -0.08 1.21 -0.57 0.00 0.00 179.45 181.49 2ckc s ASN 2612N -5.52 6.18 0.00 0.86 2.47 -1.26 -4.81 114.94 112.87 2ckc s ASN 2612Ca -0.15 -1.44 0.00 0.00 0.42 0.00 0.00 52.86 51.69 2ckc s ASN 2612Cb 0.02 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 2ckc s ASN 2612CO 0.63 -0.91 0.00 0.00 -3.72 0.00 0.00 177.10 173.10 2ckc n ALA 2613N 5.76 2.87 -3.15 1.71 0.00 -1.26 -5.00 120.51 121.44 2ckc n ALA 2613Ca -0.11 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.88 2ckc n ALA 2613Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 2ckc n ALA 2613CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ckc s ASP 2614N -3.89 6.18 -0.22 0.00 1.11 -1.26 -4.86 116.67 113.74 2ckc s ASP 2614Ca 0.00 -1.55 0.05 0.00 0.18 0.00 0.00 52.55 51.23 2ckc s ASP 2614Cb 0.00 -2.24 -0.17 0.00 1.07 0.00 0.00 42.92 41.58 2ckc s ASP 2614CO 0.00 -0.92 -0.14 0.52 1.18 0.00 0.00 175.17 175.81 2ckc n VAL 2615N 5.37 1.31 -0.48 -1.27 0.31 -1.26 -4.69 118.33 117.62 2ckc n VAL 2615Ca -0.12 -0.57 0.02 0.00 -0.01 0.00 0.00 64.34 63.66 2ckc n VAL 2615Cb 0.42 -1.12 0.03 0.00 -0.91 0.00 0.00 33.84 32.25 2ckc n VAL 2615CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2ckc n LEU 2616N -3.05 1.61 -3.63 7.52 7.94 -1.26 -4.96 117.00 121.17 2ckc n LEU 2616Ca -0.38 -1.80 -0.19 0.00 -1.11 0.00 0.00 56.01 52.53 2ckc n LEU 2616Cb 0.97 -0.08 -0.15 0.00 0.53 0.00 0.00 43.42 44.69 2ckc n LEU 2616CO 0.27 0.44 -0.25 0.12 -1.11 0.00 0.00 177.39 176.86 2ckc s PHE 2617N -1.12 -0.13 0.15 1.96 5.36 -1.26 -5.14 117.98 117.80 2ckc s PHE 2617Ca 0.06 0.39 0.07 0.00 -0.96 0.00 0.00 56.93 56.48 2ckc s PHE 2617Cb 0.05 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 2ckc s PHE 2617CO 0.01 -0.36 -0.14 0.45 -1.46 0.00 0.00 175.22 173.71 2ckc s SER 2618N 2.27 2.22 0.00 6.13 0.15 -1.26 -4.83 113.70 118.38 2ckc s SER 2618Ca 0.04 -0.89 0.24 0.00 0.70 0.00 0.00 55.95 56.04 2ckc s SER 2618Cb -0.13 -0.09 0.35 0.00 -1.71 0.00 0.00 66.02 64.43 2ckc s SER 2618CO -0.07 -0.15 1.32 -1.20 1.20 0.00 0.00 173.24 174.33 2ckc n SER 2619N 0.21 1.77 -4.29 5.45 7.64 -1.26 -4.77 113.62 118.38 2ckc n SER 2619Ca -0.13 -1.37 -0.42 0.00 1.01 0.00 0.00 58.87 57.97 2ckc n SER 2619Cb 0.58 0.28 -0.09 0.00 -1.01 0.00 0.00 64.21 63.97 2ckc n SER 2619CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2ckc s PHE 2620N -2.39 3.33 -0.03 1.43 0.08 -1.26 -4.95 117.98 114.19 2ckc s PHE 2620Ca 0.23 -1.44 -0.01 0.00 0.12 0.00 0.00 56.93 55.83 2ckc s PHE 2620Cb 0.19 -3.18 -0.01 0.00 -0.57 0.00 0.00 43.02 39.45 2ckc s PHE 2620CO 0.51 -0.88 0.14 0.37 -0.10 0.00 0.00 175.22 175.26 2ckc h GLN 2621N 8.53 -0.05 -0.02 0.44 4.15 -2.05 -3.53 115.11 122.59 2ckc h GLN 2621Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2ckc h GLN 2621Cb 1.09 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.79 2ckc h GLN 2621CO 0.83 -0.03 0.00 1.63 -1.93 0.00 0.00 178.83 179.33