#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 6.44 0.57 -1.43 1.11 -1.26 -4.97 116.67 117.12 2ckc s ASP 2564Ca 0.00 0.96 0.32 0.00 0.18 0.00 0.00 52.55 54.01 2ckc s ASP 2564Cb 0.00 -2.25 1.69 0.00 1.07 0.00 0.00 42.92 43.43 2ckc s ASP 2564CO 0.00 -0.39 2.15 1.55 1.18 0.00 0.00 175.17 179.66 2ckc h PRO 2565N 1.10 0.00 0.00 8.23 0.13 -1.99 -1.22 132.00 138.24 2ckc h PRO 2565Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ckc h PRO 2565Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ckc h PRO 2565CO 0.64 0.06 -0.57 -0.40 -0.23 0.00 0.00 178.00 177.50 2ckc n ASP 2566N -3.50 0.55 -4.77 1.44 5.75 -1.26 -0.94 116.55 113.82 2ckc n ASP 2566Ca -0.02 -0.19 -0.37 0.00 -0.01 0.00 0.00 54.79 54.20 2ckc n ASP 2566Cb 0.19 0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 2ckc n ASP 2566CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2ckc s THR 2567N -3.05 3.13 0.32 2.12 2.01 -0.46 -4.70 115.64 115.01 2ckc s THR 2567Ca 0.09 0.83 -0.13 0.00 0.31 0.00 0.00 61.69 62.80 2ckc s THR 2567Cb 0.16 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 2ckc s THR 2567CO 0.71 -0.03 0.69 -0.13 -0.69 0.00 0.00 174.62 175.18 2ckc s ARG 2568N -2.76 3.90 -0.35 4.92 1.81 -1.26 0.04 118.95 125.25 2ckc s ARG 2568Ca 0.65 0.52 0.02 0.00 -1.72 0.00 0.00 55.73 55.19 2ckc s ARG 2568Cb -0.28 -2.48 0.10 0.00 -0.45 0.00 0.00 34.95 31.84 2ckc s ARG 2568CO 0.34 0.16 0.08 0.42 -0.68 0.00 0.00 175.30 175.61 2ckc s ILE 2569N -2.02 2.60 -0.45 1.52 -1.09 0.10 -4.83 121.20 117.04 2ckc s ILE 2569Ca 0.52 -2.15 -0.27 0.00 -2.23 0.00 0.00 60.65 56.51 2ckc s ILE 2569Cb -0.10 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.92 2ckc s ILE 2569CO 0.21 -0.55 1.99 -2.16 -1.23 0.00 0.00 174.94 173.20 2ckc s PRO 2570N 1.01 2.80 0.28 2.79 0.04 -1.26 -3.83 135.00 136.83 2ckc s PRO 2570Ca 0.08 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.35 2ckc s PRO 2570Cb -0.20 -4.36 -0.06 0.00 0.04 0.00 0.00 34.50 29.92 2ckc s PRO 2570CO -0.06 -2.49 0.04 0.14 0.04 0.00 0.00 177.00 174.66 2ckc s VAL 2571N 8.93 1.08 -0.05 -0.36 -7.23 -0.39 -0.65 120.40 121.74 2ckc s VAL 2571Ca 0.81 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.90 2ckc s VAL 2571Cb -0.19 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.16 2ckc s VAL 2571CO 0.28 -0.12 0.15 -0.51 -0.31 0.00 0.00 175.10 174.59 2ckc s ILE 2572N -3.38 0.02 -0.38 -0.62 2.07 0.43 -0.64 121.20 118.69 2ckc s ILE 2572Ca 0.34 -0.15 -0.20 0.00 -1.41 0.00 0.00 60.65 59.22 2ckc s ILE 2572Cb 0.07 -0.27 0.01 0.00 0.13 0.00 0.00 42.46 42.40 2ckc s ILE 2572CO 0.13 -0.08 0.63 0.21 -1.91 0.00 0.00 174.94 173.91 2ckc s ASN 2573N -0.23 6.38 0.24 4.50 2.47 0.64 -0.40 114.94 128.53 2ckc s ASN 2573Ca -0.03 -0.03 -0.05 0.00 0.42 0.00 0.00 52.86 53.16 2ckc s ASN 2573Cb -0.03 -2.32 0.24 0.00 -1.45 0.00 0.00 41.25 37.69 2ckc s ASN 2573CO 0.00 -0.65 1.79 -0.07 -3.72 0.00 0.00 177.10 174.46 2ckc h LEU 2574N 9.46 0.99 -0.78 3.21 3.38 -1.78 0.33 115.31 130.11 2ckc h LEU 2574Ca -0.26 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.58 2ckc h LEU 2574Cb 1.11 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2ckc h LEU 2574CO 0.85 0.91 0.49 -0.33 0.09 0.00 0.00 178.44 180.45 2ckc h GLU 2575N 1.03 0.91 0.01 1.13 4.39 -1.93 -3.27 114.58 116.85 2ckc h GLU 2575Ca 0.23 -0.05 -0.40 0.00 0.34 0.00 0.00 59.36 59.47 2ckc h GLU 2575Cb 0.27 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 2ckc h GLU 2575CO -0.01 0.60 -2.36 -3.47 -1.16 0.00 0.00 179.01 172.61 2ckc n ASP 2576N -4.63 1.98 0.00 1.42 2.03 -1.14 -4.99 116.55 111.22 2ckc n ASP 2576Ca 0.10 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.52 2ckc n ASP 2576Cb 0.11 -0.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 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 1.80 1.28 3.59 0.27 0.00 0.11 -5.05 105.19 107.19 2ckc n GLY 2577Ca -0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.00 3.51 -0.15 2.61 2.01 -1.12 -4.85 115.64 115.66 2ckc s THR 2578Ca 0.00 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 2ckc s THR 2578Cb 0.00 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 2ckc s THR 2578CO 0.00 -0.53 -0.12 -0.60 -0.69 0.00 0.00 174.62 172.68 2ckc s ARG 2579N 5.79 3.36 -0.31 4.92 3.52 -1.26 -0.26 118.95 134.70 2ckc s ARG 2579Ca 0.75 -0.68 -0.00 0.00 -0.13 0.00 0.00 55.73 55.67 2ckc s ARG 2579Cb -0.20 -2.71 0.10 0.00 -1.56 0.00 0.00 34.95 30.58 2ckc s ARG 2579CO 0.31 0.10 0.09 -0.51 -0.81 0.00 0.00 175.30 174.48 2ckc s LEU 2580N 0.65 2.61 0.16 -0.88 1.43 0.19 -5.00 118.68 117.84 2ckc s LEU 2580Ca -0.06 -1.70 0.10 0.00 -1.03 0.00 0.00 54.13 51.44 2ckc s LEU 2580Cb -0.15 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2ckc s LEU 2580CO 0.02 -0.41 -0.22 0.68 0.23 0.00 0.00 176.35 176.66 2ckc s VAL 2581N 1.51 2.06 0.00 -1.59 -7.23 -1.26 -1.26 120.40 112.63 2ckc s VAL 2581Ca 0.10 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2ckc s VAL 2581Cb -0.18 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.84 2ckc s VAL 2581CO -0.22 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 2ckc n GLY 2582N 0.50 2.48 0.26 2.32 0.00 -1.26 -2.76 105.19 106.73 2ckc n GLY 2582Ca -0.15 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.59 2ckc n GLY 2582CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ckc h GLU 2583N 0.00 0.39 -0.00 1.61 4.39 -2.00 -2.05 114.58 116.91 2ckc h GLU 2583Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2ckc h GLU 2583Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2ckc h GLU 2583CO 0.00 0.43 -0.10 -0.25 -1.16 0.00 0.00 179.01 177.93 2ckc n ASP 2584N -4.32 0.43 -4.79 1.42 9.92 -1.11 -4.84 116.55 113.26 2ckc n ASP 2584Ca 0.01 -0.56 -0.35 0.00 -0.53 0.00 0.00 54.79 53.35 2ckc n ASP 2584Cb 0.22 -0.09 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 2ckc n ASP 2584CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ckc s ALA 2585N -2.47 3.05 0.59 2.24 0.00 -0.77 -4.56 121.76 119.84 2ckc s ALA 2585Ca 0.29 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 2ckc s ALA 2585Cb 0.20 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2ckc s ALA 2585CO 0.47 -0.13 1.22 -1.25 0.00 0.00 0.00 175.76 176.07 2ckc s PRO 2586N -2.70 2.98 0.54 0.00 0.04 -1.25 -4.59 135.00 130.03 2ckc s PRO 2586Ca 0.59 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 63.32 2ckc s PRO 2586Cb -0.18 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 2ckc s PRO 2586CO 0.23 -1.20 1.03 0.15 0.04 0.00 0.00 177.00 177.24 2ckc s LYS 2587N -3.29 3.67 0.50 4.56 1.02 -1.26 0.03 119.74 124.97 2ckc s LYS 2587Ca 0.77 1.17 0.17 0.00 0.02 0.00 0.00 55.97 58.09 2ckc s LYS 2587Cb -0.31 -2.09 1.23 0.00 -0.52 0.00 0.00 37.83 36.14 2ckc s LYS 2587CO 0.34 -0.52 2.09 -0.97 -0.92 0.00 0.00 175.35 175.37 2ckc h ASN 2588N 0.93 0.08 0.03 2.83 -1.24 -0.01 0.21 115.58 118.40 2ckc h ASN 2588Ca -0.48 -0.00 -0.16 0.00 0.71 0.00 0.00 56.30 56.37 2ckc h ASN 2588Cb 1.21 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 2ckc h ASN 2588CO 0.59 0.06 -0.55 0.07 -1.29 0.00 0.00 177.43 176.31 2ckc h LYS 2589N 0.09 0.56 -0.01 6.67 2.10 -1.31 -3.18 116.57 121.49 2ckc h LYS 2589Ca 0.09 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 2ckc h LYS 2589Cb 0.25 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2ckc h LYS 2589CO -0.01 0.96 -0.35 -0.25 -2.00 0.00 0.00 179.45 177.80 2ckc n ASP 2590N -3.96 0.99 -0.08 7.07 9.92 -0.32 -4.29 116.55 125.88 2ckc n ASP 2590Ca -0.03 -0.80 -0.06 0.00 -0.53 0.00 0.00 54.79 53.36 2ckc n ASP 2590Cb 0.61 0.22 -0.00 0.00 -0.64 0.00 0.00 41.12 41.30 2ckc n ASP 2590CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2ckc h LEU 2591N 1.00 -0.23 -1.62 0.64 5.85 -0.64 -0.66 115.31 119.65 2ckc h LEU 2591Ca 0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2ckc h LEU 2591Cb 0.52 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2ckc h LEU 2591CO 0.00 -0.08 0.34 -0.37 -0.34 0.00 0.00 178.44 177.99 2ckc h VAL 2592N 0.03 1.00 -0.04 1.05 -1.51 -1.77 0.13 116.25 115.13 2ckc h VAL 2592Ca 0.15 -0.16 -0.04 0.00 -1.23 0.00 0.00 66.70 65.41 2ckc h VAL 2592Cb 0.22 0.47 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 2ckc h VAL 2592CO -0.30 0.09 -0.14 -0.33 -1.23 0.00 0.00 177.57 175.66 2ckc h GLU 2593N 0.48 0.16 -0.54 5.19 5.08 -1.59 -2.89 114.58 120.47 2ckc h GLU 2593Ca 0.22 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2ckc h GLU 2593Cb 0.25 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2ckc h GLU 2593CO -0.06 0.76 0.30 2.35 -1.00 0.00 0.00 179.01 181.36 2ckc h TRP 2594N -0.41 0.71 -0.23 4.33 7.01 -0.24 -1.11 115.95 126.01 2ckc h TRP 2594Ca -0.01 -0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 2ckc h TRP 2594Cb 0.78 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.59 2ckc h TRP 2594CO 0.14 0.50 -0.19 -0.07 -2.79 0.00 0.00 178.44 176.02 2ckc h LEU 2595N 0.74 0.40 -0.85 0.65 4.07 -0.81 0.28 115.31 119.79 2ckc h LEU 2595Ca 0.19 -0.12 -0.11 0.00 0.08 0.00 0.00 57.88 57.93 2ckc h LEU 2595Cb 0.02 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2ckc h LEU 2595CO -0.03 0.61 -0.51 0.11 -1.08 0.00 0.00 178.44 177.54 2ckc h LYS 2596N 0.38 0.00 0.12 1.13 1.57 -1.00 -2.72 116.57 116.04 2ckc h LYS 2596Ca 0.06 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.56 2ckc h LYS 2596Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2ckc h LYS 2596CO 0.04 0.51 -1.38 -0.07 -0.57 0.00 0.00 179.45 177.97 2ckc h LEU 2597N 0.00 0.39 -6.78 2.94 3.38 -0.71 -3.41 115.31 111.13 2ckc h LEU 2597Ca -0.01 -0.48 -0.61 0.00 0.09 0.00 0.00 57.88 56.88 2ckc h LEU 2597Cb 1.00 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 41.22 2ckc h LEU 2597CO 0.07 1.39 -0.75 -1.00 0.09 0.00 0.00 178.44 178.23 2ckc s HIS 2598N -2.64 2.46 -0.17 1.13 3.76 0.90 -4.92 115.29 115.83 2ckc s HIS 2598Ca -0.06 -2.87 0.29 0.00 -0.15 0.00 0.00 55.06 52.27 2ckc s HIS 2598Cb 0.07 -1.93 1.16 0.00 1.11 0.00 0.00 32.58 32.99 2ckc s HIS 2598CO 0.87 -0.67 1.86 -1.00 -0.85 0.00 0.00 174.74 174.94 2ckc h PRO 2599N 5.57 0.00 -0.84 8.40 0.13 -1.72 -2.94 132.00 140.60 2ckc h PRO 2599Ca 0.19 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 2ckc h PRO 2599Cb 0.83 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 2ckc h PRO 2599CO 0.56 0.00 0.07 0.25 -0.23 0.00 0.00 178.00 178.66 2ckc n THR 2600N -2.76 1.57 -2.53 1.56 -2.24 -1.26 -4.89 114.28 103.73 2ckc n THR 2600Ca 0.02 -0.77 -0.23 0.00 -2.27 0.00 0.00 64.05 60.79 2ckc n THR 2600Cb 0.30 -0.47 0.08 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.85 2.16 -0.11 4.78 1.13 -1.11 -2.33 117.35 120.02 2ckc s TYR 2601Ca 0.28 -0.08 -0.17 0.00 -1.41 0.00 0.00 57.07 55.69 2ckc s TYR 2601Cb 0.22 -2.98 0.04 0.00 -1.10 0.00 0.00 41.96 38.14 2ckc s TYR 2601CO 0.08 -1.44 0.44 0.99 -2.51 0.00 0.00 175.55 173.11 2ckc s THR 2602N -3.06 0.02 -0.01 -3.49 2.01 0.46 -4.82 115.64 106.75 2ckc s THR 2602Ca 0.63 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 2ckc s THR 2602Cb -0.08 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2ckc s THR 2602CO 0.43 -0.07 1.30 -0.69 -0.69 0.00 0.00 174.62 174.89 2ckc s VAL 2603N -0.38 3.95 -0.10 3.82 1.01 -1.26 -0.43 120.40 127.00 2ckc s VAL 2603Ca -0.05 1.32 -0.24 0.00 0.00 0.00 0.00 61.98 63.01 2ckc s VAL 2603Cb -0.03 -3.85 -0.20 0.00 0.00 0.00 0.00 36.38 32.29 2ckc s VAL 2603CO 0.03 0.02 0.78 -0.78 0.00 0.00 0.00 175.10 175.14 2ckc h ASP 2604N 7.50 -0.03 -3.09 3.32 1.82 -1.16 -3.44 116.42 121.34 2ckc h ASP 2604Ca -0.37 -0.69 -0.64 0.00 -0.39 0.00 0.00 57.03 54.94 2ckc h ASP 2604Cb 1.18 0.01 -0.35 0.00 0.68 0.00 0.00 39.33 40.84 2ckc h ASP 2604CO 0.88 0.75 -0.85 -0.32 -1.61 0.00 0.00 179.24 178.10 2ckc s MET 2605N -2.67 2.63 0.25 0.28 1.75 -1.06 -5.03 119.30 115.45 2ckc s MET 2605Ca -0.15 -0.69 -0.09 0.00 -1.25 0.00 0.00 55.69 53.51 2ckc s MET 2605Cb -0.01 -2.33 0.40 0.00 2.84 0.00 0.00 34.83 35.73 2ckc s MET 2605CO 0.57 -0.23 1.60 -1.35 -0.65 0.00 0.00 175.02 174.96 2ckc h PRO 2606N 8.00 0.02 -3.14 4.11 0.11 -1.87 -3.41 132.00 135.83 2ckc h PRO 2606Ca -0.42 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2ckc h PRO 2606Cb 1.14 -0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 2ckc h PRO 2606CO 0.58 0.01 0.08 0.45 -0.21 0.00 0.00 178.00 178.92 2ckc s SER 2607N -5.21 -0.43 0.22 -2.05 0.15 -1.26 -4.97 113.70 100.15 2ckc s SER 2607Ca -0.14 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.43 2ckc s SER 2607Cb 0.24 0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2ckc s SER 2607CO 0.76 -0.90 -0.02 -0.72 1.20 0.00 0.00 173.24 173.56 2ckc s TYR 2608N -3.66 1.54 -0.02 3.44 1.13 -1.26 -5.08 117.35 113.43 2ckc s TYR 2608Ca 0.01 -0.90 -0.30 0.00 -1.41 0.00 0.00 57.07 54.47 2ckc s TYR 2608Cb 0.00 -0.88 -0.05 0.00 -1.10 0.00 0.00 41.96 39.93 2ckc s TYR 2608CO -0.12 -0.02 1.43 0.54 -2.51 0.00 0.00 175.55 174.87 2ckc s VAL 2609N -3.40 3.73 0.93 -3.49 0.11 -1.26 -4.99 120.40 112.03 2ckc s VAL 2609Ca 0.27 1.07 -0.12 0.00 -2.93 0.00 0.00 61.98 60.27 2ckc s VAL 2609Cb 0.05 -3.69 0.07 0.00 -1.53 0.00 0.00 36.38 31.28 2ckc s VAL 2609CO 0.08 -0.02 0.64 -2.65 -3.33 0.00 0.00 175.10 169.81 2ckc n PRO 2610N 5.74 -0.32 0.17 1.54 -0.02 -1.26 -4.90 135.00 135.95 2ckc n PRO 2610Ca 0.14 -0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 2ckc n PRO 2610Cb 0.44 -2.02 0.39 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.63 0.00 -5.80 -0.52 1.79 -2.02 -3.36 116.57 105.03 2ckc h LYS 2611Ca -0.43 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.38 2ckc h LYS 2611Cb 1.28 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.83 2ckc h LYS 2611CO 0.37 0.00 1.80 -0.80 -1.08 0.00 0.00 179.45 179.74 2ckc s ASN 2612N -5.18 6.73 -0.30 0.86 -0.87 -1.26 -4.74 114.94 110.17 2ckc s ASN 2612Ca 0.07 -2.12 -0.03 0.00 -1.57 0.00 0.00 52.86 49.21 2ckc s ASN 2612Cb 0.09 -2.55 0.19 0.00 -0.02 0.00 0.00 41.25 38.96 2ckc s ASN 2612CO 0.58 -1.25 0.67 0.00 -2.57 0.00 0.00 177.10 174.53 2ckc s ALA 2613N 4.18 -2.45 -0.07 0.60 0.00 -1.26 -5.05 121.76 117.71 2ckc s ALA 2613Ca 0.49 1.79 0.07 0.00 0.00 0.00 0.00 51.96 54.31 2ckc s ALA 2613Cb 0.01 -2.21 -0.24 0.00 0.00 0.00 0.00 23.12 20.68 2ckc s ALA 2613CO -0.00 -1.34 0.56 -0.25 0.00 0.00 0.00 175.76 174.73 2ckc n ASP 2614N 5.44 1.23 -4.47 0.00 8.00 -1.26 -4.63 116.55 120.86 2ckc n ASP 2614Ca -0.02 0.35 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 2ckc n ASP 2614Cb 0.51 -0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 2ckc n ASP 2614CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ckc s VAL 2615N -2.58 4.28 -0.05 2.53 0.11 -1.26 -5.00 120.40 118.42 2ckc s VAL 2615Ca -0.10 -0.25 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 2ckc s VAL 2615Cb 0.08 -4.69 -0.05 0.00 -1.53 0.00 0.00 36.38 30.18 2ckc s VAL 2615CO 0.81 -1.47 0.55 -0.76 -3.33 0.00 0.00 175.10 170.90 2ckc s LEU 2616N 4.19 4.36 -0.73 2.54 1.43 -1.26 -5.01 118.68 124.20 2ckc s LEU 2616Ca 0.24 1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.20 2ckc s LEU 2616Cb -0.16 -2.83 0.17 0.00 0.03 0.00 0.00 46.19 43.40 2ckc s LEU 2616CO 0.11 0.05 0.73 -0.36 0.23 0.00 0.00 176.35 177.11 2ckc s PHE 2617N 0.17 3.45 -0.27 0.29 0.08 -1.26 -4.91 117.98 115.54 2ckc s PHE 2617Ca 0.29 -1.60 -0.00 0.00 0.12 0.00 0.00 56.93 55.74 2ckc s PHE 2617Cb -0.17 -3.89 0.16 0.00 -0.57 0.00 0.00 43.02 38.54 2ckc s PHE 2617CO 0.14 -1.10 0.44 0.45 -0.10 0.00 0.00 175.22 175.05 2ckc s SER 2618N 2.90 -0.09 0.00 1.36 0.15 -1.26 -4.99 113.70 111.77 2ckc s SER 2618Ca 0.15 0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.93 2ckc s SER 2618Cb -0.17 1.34 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 2ckc s SER 2618CO -0.04 -0.31 0.89 -1.20 1.20 0.00 0.00 173.24 173.78 2ckc n SER 2619N 5.37 0.03 0.07 5.45 7.64 -1.26 -4.82 113.62 126.11 2ckc n SER 2619Ca -0.01 -1.76 -0.04 0.00 1.01 0.00 0.00 58.87 58.07 2ckc n SER 2619Cb 0.50 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.48 2ckc n SER 2619CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2ckc h PHE 2620N 0.05 0.00 0.17 1.43 3.57 -2.03 -3.25 116.94 116.88 2ckc h PHE 2620Ca -0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2ckc h PHE 2620Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 2ckc h PHE 2620CO 0.01 0.80 -0.08 -0.56 -2.23 0.00 0.00 178.31 176.24 2ckc h GLN 2621N 0.00 -0.22 0.00 1.11 3.07 -2.02 -3.58 115.11 113.47 2ckc h GLN 2621Ca -0.07 0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2ckc h GLN 2621Cb 1.67 0.05 0.00 0.00 0.08 0.00 0.00 27.48 29.28 2ckc h GLN 2621CO 0.09 0.08 0.00 1.17 0.09 0.00 0.00 178.83 180.27