#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 6.59 0.64 -1.43 2.15 -1.26 -4.97 116.67 118.39 2ckc s ASP 2564Ca 0.00 1.07 0.37 0.00 0.43 0.00 0.00 52.55 54.42 2ckc s ASP 2564Cb 0.00 -2.29 2.09 0.00 -0.30 0.00 0.00 42.92 42.42 2ckc s ASP 2564CO 0.00 -0.27 2.25 1.55 -0.17 0.00 0.00 175.17 178.53 2ckc h PRO 2565N 1.78 0.00 0.00 4.34 0.13 -1.99 -2.01 132.00 134.25 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ckc h PRO 2565CO 0.65 0.00 -1.01 -3.47 -0.23 0.00 0.00 178.00 173.94 2ckc n ASP 2566N -3.32 0.66 -4.69 1.44 2.03 -1.26 -1.26 116.55 110.15 2ckc n ASP 2566Ca -0.02 0.06 -0.44 0.00 0.52 0.00 0.00 54.79 54.91 2ckc n ASP 2566Cb 0.15 0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 41.17 2ckc n ASP 2566CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2ckc n THR 2567N -2.26 0.79 -2.92 5.18 -1.04 -0.75 -4.54 114.28 108.73 2ckc n THR 2567Ca 0.01 -0.20 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 2ckc n THR 2567Cb 0.49 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.35 2ckc n THR 2567CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2ckc s ARG 2568N -0.18 4.56 -0.40 -2.82 1.81 -1.26 -0.06 118.95 120.59 2ckc s ARG 2568Ca 0.69 1.17 -0.06 0.00 -1.72 0.00 0.00 55.73 55.81 2ckc s ARG 2568Cb -0.62 -3.35 0.09 0.00 -0.45 0.00 0.00 34.95 30.62 2ckc s ARG 2568CO 0.47 0.33 0.21 0.42 -0.68 0.00 0.00 175.30 176.04 2ckc s ILE 2569N -0.27 3.74 -0.24 1.52 -1.09 -0.07 -4.90 121.20 119.89 2ckc s ILE 2569Ca 0.40 -1.63 -0.29 0.00 -2.23 0.00 0.00 60.65 56.90 2ckc s ILE 2569Cb -0.22 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 2ckc s ILE 2569CO 0.25 -0.52 1.64 -2.16 -1.23 0.00 0.00 174.94 172.92 2ckc s PRO 2570N 1.30 3.71 0.13 2.79 0.04 -1.26 -4.02 135.00 137.69 2ckc s PRO 2570Ca 0.04 1.60 0.04 0.00 0.04 0.00 0.00 61.00 62.71 2ckc s PRO 2570Cb -0.23 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2ckc s PRO 2570CO -0.01 -1.40 -0.10 0.14 0.04 0.00 0.00 177.00 175.68 2ckc s VAL 2571N 5.50 1.05 -0.01 -0.36 -7.23 -0.25 -0.59 120.40 118.50 2ckc s VAL 2571Ca 0.73 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2ckc s VAL 2571Cb -0.24 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 34.98 2ckc s VAL 2571CO 0.30 -0.73 -0.01 -0.51 -0.31 0.00 0.00 175.10 173.84 2ckc s ILE 2572N -3.20 0.17 -0.24 -0.62 2.07 0.38 -0.46 121.20 119.29 2ckc s ILE 2572Ca 0.14 -0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.24 2ckc s ILE 2572Cb 0.02 -0.20 -0.05 0.00 0.13 0.00 0.00 42.46 42.36 2ckc s ILE 2572CO -0.00 0.09 0.23 0.21 -1.91 0.00 0.00 174.94 173.56 2ckc s ASN 2573N 0.39 6.19 0.31 4.50 2.47 0.51 -0.19 114.94 129.13 2ckc s ASN 2573Ca -0.04 0.20 0.25 0.00 0.42 0.00 0.00 52.86 53.70 2ckc s ASN 2573Cb -0.06 -2.14 0.64 0.00 -1.45 0.00 0.00 41.25 38.24 2ckc s ASN 2573CO -0.01 0.01 1.71 -0.07 -3.72 0.00 0.00 177.10 175.02 2ckc h LEU 2574N 7.69 0.00 0.06 3.21 3.38 -1.86 0.13 115.31 127.93 2ckc h LEU 2574Ca -0.37 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.49 2ckc h LEU 2574Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.93 2ckc h LEU 2574CO 0.66 0.00 -0.48 -0.33 0.09 0.00 0.00 178.44 178.38 2ckc h GLU 2575N 0.00 0.22 0.00 1.13 5.08 -1.93 -3.39 114.58 115.69 2ckc h GLU 2575Ca 0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2ckc h GLU 2575Cb 0.83 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2ckc h GLU 2575CO 0.00 1.10 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.58 2ckc h ASP 2576N -0.51 0.00 0.00 1.42 3.32 -1.95 -3.48 116.42 115.22 2ckc h ASP 2576Ca -0.08 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2ckc h ASP 2576Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2ckc h ASP 2576CO 0.09 0.75 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 2ckc n GLY 2577N 1.69 1.08 3.76 2.75 0.00 0.46 -5.08 105.19 109.85 2ckc n GLY 2577Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2ckc n GLY 2577CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ckc s THR 2578N -2.00 3.09 -0.05 2.61 -1.32 -1.21 -4.81 115.64 111.96 2ckc s THR 2578Ca 0.00 1.08 -0.00 0.00 -1.21 0.00 0.00 61.69 61.56 2ckc s THR 2578Cb 0.00 -3.69 0.03 0.00 -1.51 0.00 0.00 72.50 67.33 2ckc s THR 2578CO 0.00 0.25 -0.00 -0.60 -2.21 0.00 0.00 174.62 172.05 2ckc s ARG 2579N -1.48 0.48 -0.27 7.08 3.52 -1.26 -0.36 118.95 126.66 2ckc s ARG 2579Ca 0.48 0.07 0.01 0.00 -0.13 0.00 0.00 55.73 56.16 2ckc s ARG 2579Cb -0.36 -0.71 0.08 0.00 -1.56 0.00 0.00 34.95 32.39 2ckc s ARG 2579CO 0.46 -0.19 0.00 -0.51 -0.81 0.00 0.00 175.30 174.26 2ckc s LEU 2580N 1.39 2.81 0.15 -0.88 1.43 0.39 -5.00 118.68 118.96 2ckc s LEU 2580Ca -0.04 -1.44 0.07 0.00 -1.03 0.00 0.00 54.13 51.69 2ckc s LEU 2580Cb -0.13 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 2ckc s LEU 2580CO -0.02 -0.31 -0.15 0.68 0.23 0.00 0.00 176.35 176.78 2ckc s VAL 2581N 1.38 1.52 0.00 -1.59 -7.23 -1.26 -1.09 120.40 112.13 2ckc s VAL 2581Ca 0.01 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2ckc s VAL 2581Cb -0.18 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2ckc s VAL 2581CO -0.11 -0.46 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 2ckc n GLY 2582N 0.22 1.42 0.19 2.32 0.00 -1.26 -2.39 105.19 105.69 2ckc n GLY 2582Ca -0.13 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 -0.00 1.61 5.08 -1.99 -2.18 114.58 117.11 2ckc h GLU 2583Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ckc h GLU 2583Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2ckc h GLU 2583CO 0.00 0.00 -0.06 -0.25 -1.00 0.00 0.00 179.01 177.70 2ckc n ASP 2584N -2.73 0.27 -4.82 1.42 8.00 -1.01 -4.80 116.55 112.88 2ckc n ASP 2584Ca 0.03 -0.46 -0.36 0.00 0.71 0.00 0.00 54.79 54.71 2ckc n ASP 2584Cb 0.39 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.47 3.44 0.63 2.24 0.00 -0.82 -4.42 121.76 120.36 2ckc s ALA 2585Ca 0.30 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 52.22 2ckc s ALA 2585Cb 0.20 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 2ckc s ALA 2585CO 0.46 0.34 1.18 -1.25 0.00 0.00 0.00 175.76 176.49 2ckc s PRO 2586N -1.93 2.83 0.59 0.00 0.04 -1.26 -4.59 135.00 130.67 2ckc s PRO 2586Ca 0.42 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 2ckc s PRO 2586Cb -0.17 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2ckc s PRO 2586CO 0.21 -1.29 1.06 0.15 0.04 0.00 0.00 177.00 177.17 2ckc s LYS 2587N -3.59 3.34 0.43 4.56 1.02 -1.26 -0.89 119.74 123.35 2ckc s LYS 2587Ca 0.74 1.22 0.15 0.00 0.02 0.00 0.00 55.97 58.10 2ckc s LYS 2587Cb -0.27 -2.03 1.04 0.00 -0.52 0.00 0.00 37.83 36.04 2ckc s LYS 2587CO 0.36 -0.79 1.96 -0.97 -0.92 0.00 0.00 175.35 174.98 2ckc h ASN 2588N 0.52 0.38 0.47 2.83 -1.24 -0.02 0.80 115.58 119.32 2ckc h ASN 2588Ca -0.47 0.01 -0.10 0.00 0.71 0.00 0.00 56.30 56.45 2ckc h ASN 2588Cb 1.22 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.19 2ckc h ASN 2588CO 0.57 0.22 -0.49 0.07 -1.29 0.00 0.00 177.43 176.51 2ckc h LYS 2589N 0.41 0.01 0.00 6.67 2.10 -1.45 -2.98 116.57 121.34 2ckc h LYS 2589Ca 0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2ckc h LYS 2589Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2ckc h LYS 2589CO -0.09 0.50 -0.89 -0.25 -2.00 0.00 0.00 179.45 176.72 2ckc n ASP 2590N -3.96 0.73 -0.11 7.07 8.00 -0.04 -4.33 116.55 123.90 2ckc n ASP 2590Ca -0.02 -0.56 -0.05 0.00 0.71 0.00 0.00 54.79 54.87 2ckc n ASP 2590Cb 0.51 0.76 0.01 0.00 -0.02 0.00 0.00 41.12 42.38 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 0.00 -0.40 -1.40 0.64 5.85 -0.77 -1.42 115.31 117.80 2ckc h LEU 2591Ca 0.00 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.95 2ckc h LEU 2591Cb 0.57 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 2ckc h LEU 2591CO 0.00 -0.14 0.51 -0.37 -0.34 0.00 0.00 178.44 178.10 2ckc h VAL 2592N -0.02 0.90 -0.10 1.05 -1.51 -1.76 0.91 116.25 115.73 2ckc h VAL 2592Ca 0.19 -0.22 -0.13 0.00 -1.23 0.00 0.00 66.70 65.31 2ckc h VAL 2592Cb 0.31 0.21 0.01 0.00 -2.13 0.00 0.00 31.29 29.68 2ckc h VAL 2592CO -0.41 0.12 -0.45 -0.33 -1.23 0.00 0.00 177.57 175.26 2ckc h GLU 2593N 0.64 0.49 -0.43 5.19 5.08 -1.56 -2.34 114.58 121.65 2ckc h GLU 2593Ca 0.37 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2ckc h GLU 2593Cb 0.55 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 2ckc h GLU 2593CO -0.14 1.02 0.15 2.35 -1.00 0.00 0.00 179.01 181.39 2ckc h TRP 2594N 0.07 0.62 -0.33 4.33 7.01 -0.51 -1.22 115.95 125.93 2ckc h TRP 2594Ca -0.03 -0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.88 2ckc h TRP 2594Cb 1.09 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 2ckc h TRP 2594CO 0.11 0.51 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.15 2ckc h LEU 2595N 0.62 0.51 -1.65 0.65 4.07 -0.76 0.18 115.31 118.93 2ckc h LEU 2595Ca 0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 2ckc h LEU 2595Cb 0.17 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2ckc h LEU 2595CO -0.01 0.61 -0.20 0.11 -1.08 0.00 0.00 178.44 177.87 2ckc h LYS 2596N 0.50 0.00 0.11 1.13 1.57 -0.66 -2.67 116.57 116.55 2ckc h LYS 2596Ca 0.10 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.56 2ckc h LYS 2596Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2ckc h LYS 2596CO 0.02 0.20 -1.70 -0.07 -0.57 0.00 0.00 179.45 177.33 2ckc h LEU 2597N 0.00 0.37 -6.96 2.94 4.07 -1.00 -3.43 115.31 111.30 2ckc h LEU 2597Ca -0.00 -0.61 -0.61 0.00 0.08 0.00 0.00 57.88 56.73 2ckc h LEU 2597Cb 0.42 -0.12 -0.41 0.00 1.08 0.00 0.00 40.66 41.63 2ckc h LEU 2597CO 0.03 1.53 -0.70 -1.00 -1.08 0.00 0.00 178.44 177.22 2ckc s HIS 2598N -2.60 2.68 0.00 1.13 3.76 0.53 -4.89 115.29 115.91 2ckc s HIS 2598Ca -0.12 -2.91 0.29 0.00 -0.15 0.00 0.00 55.06 52.16 2ckc s HIS 2598Cb 0.07 -2.19 1.04 0.00 1.11 0.00 0.00 32.58 32.61 2ckc s HIS 2598CO 0.83 -0.68 1.86 -1.00 -0.85 0.00 0.00 174.74 174.90 2ckc h PRO 2599N 5.89 0.00 -0.74 8.40 0.13 -1.82 -2.95 132.00 140.92 2ckc h PRO 2599Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2ckc h PRO 2599Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2ckc h PRO 2599CO 0.59 0.07 0.00 0.25 -0.23 0.00 0.00 178.00 178.68 2ckc n THR 2600N -3.17 1.43 -2.28 1.56 -2.24 -1.26 -4.88 114.28 103.45 2ckc n THR 2600Ca 0.01 -0.75 -0.25 0.00 -2.27 0.00 0.00 64.05 60.79 2ckc n THR 2600Cb 0.39 -0.32 0.07 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.92 2.79 0.01 4.78 1.13 -1.11 -3.24 117.35 119.78 2ckc s TYR 2601Ca 0.30 0.33 0.00 0.00 -1.41 0.00 0.00 57.07 56.29 2ckc s TYR 2601Cb 0.22 -3.15 -0.01 0.00 -1.10 0.00 0.00 41.96 37.92 2ckc s TYR 2601CO 0.10 -1.39 -0.02 0.99 -2.51 0.00 0.00 175.55 172.72 2ckc s THR 2602N -3.19 0.07 0.01 -3.49 2.01 0.74 -4.88 115.64 106.91 2ckc s THR 2602Ca 0.60 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 2ckc s THR 2602Cb -0.10 -0.15 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2ckc s THR 2602CO 0.44 -0.25 1.09 -0.69 -0.69 0.00 0.00 174.62 174.52 2ckc s VAL 2603N -0.74 4.48 0.13 3.82 1.01 -1.26 -0.47 120.40 127.37 2ckc s VAL 2603Ca -0.08 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.56 2ckc s VAL 2603Cb -0.05 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2ckc s VAL 2603CO -0.00 0.11 1.50 -0.78 0.00 0.00 0.00 175.10 175.92 2ckc h ASP 2604N 6.91 0.88 -3.03 3.32 3.58 -1.13 -3.43 116.42 123.52 2ckc h ASP 2604Ca -0.39 -0.42 -0.61 0.00 0.42 0.00 0.00 57.03 56.03 2ckc h ASP 2604Cb 1.20 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.96 2ckc h ASP 2604CO 0.80 1.10 -0.26 -0.04 -2.88 0.00 0.00 179.24 177.96 2ckc s MET 2605N -4.57 3.78 0.24 0.28 -1.94 -1.24 -4.95 119.30 110.90 2ckc s MET 2605Ca -0.12 0.22 0.22 0.00 -1.71 0.00 0.00 55.69 54.29 2ckc s MET 2605Cb 0.10 -3.09 0.96 0.00 2.01 0.00 0.00 34.83 34.81 2ckc s MET 2605CO 0.85 0.63 1.66 -2.30 -0.01 0.00 0.00 175.02 175.84 2ckc n PRO 2606N 1.31 0.16 0.00 2.03 -0.02 -1.26 -4.90 135.00 132.32 2ckc n PRO 2606Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2ckc n PRO 2606Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2ckc n PRO 2606CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2ckc n SER 2607N -2.16 0.00 0.00 2.55 7.64 -1.26 -4.72 113.62 115.67 2ckc n SER 2607Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2ckc n SER 2607Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2ckc n SER 2607CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ckc n TYR 2608N 0.00 0.00 -2.41 1.43 4.11 -1.26 -5.09 117.16 113.94 2ckc n TYR 2608Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 2ckc n TYR 2608Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.32 2ckc n TYR 2608CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2ckc s VAL 2609N -2.36 4.19 -0.34 -3.48 0.11 -1.26 -4.92 120.40 112.34 2ckc s VAL 2609Ca 0.00 1.39 -0.35 0.00 -2.93 0.00 0.00 61.98 60.09 2ckc s VAL 2609Cb 0.00 -4.06 -0.11 0.00 -1.53 0.00 0.00 36.38 30.67 2ckc s VAL 2609CO 0.00 -0.31 2.19 -2.65 -3.33 0.00 0.00 175.10 171.00 2ckc n PRO 2610N 7.00 1.11 -0.12 1.54 -0.02 -1.26 -4.80 135.00 138.46 2ckc n PRO 2610Ca 0.15 0.30 -0.24 0.00 -2.02 0.00 0.00 63.50 61.69 2ckc n PRO 2610Cb 0.46 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 2ckc n PRO 2610CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2ckc n LYS 2611N 8.20 0.52 -3.75 -0.52 4.81 -1.26 -5.00 118.16 121.16 2ckc n LYS 2611Ca 0.41 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.92 2ckc n LYS 2611Cb 0.24 -1.37 -0.13 0.00 0.02 0.00 0.00 35.03 33.78 2ckc n LYS 2611CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2ckc s ASN 2612N -6.94 -0.23 -0.01 3.14 -0.87 -1.26 -4.97 114.94 103.81 2ckc s ASN 2612Ca -0.33 0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.44 2ckc s ASN 2612Cb 0.12 0.38 0.02 0.00 -0.02 0.00 0.00 41.25 41.74 2ckc s ASN 2612CO 0.44 -0.14 0.78 0.00 -2.57 0.00 0.00 177.10 175.61 2ckc n ALA 2613N 3.91 1.55 -4.02 0.60 0.00 -1.26 -4.89 120.51 116.40 2ckc n ALA 2613Ca -0.22 -0.87 -0.33 0.00 0.00 0.00 0.00 53.44 52.01 2ckc n ALA 2613Cb 0.54 -0.22 -0.15 0.00 0.00 0.00 0.00 19.45 19.62 2ckc n ALA 2613CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ckc s ASP 2614N -0.66 3.75 -0.07 0.00 -4.77 -1.26 -4.71 116.67 108.96 2ckc s ASP 2614Ca 0.02 -0.90 0.01 0.00 -3.30 0.00 0.00 52.55 48.38 2ckc s ASP 2614Cb 0.02 -1.54 -0.25 0.00 -1.09 0.00 0.00 42.92 40.06 2ckc s ASP 2614CO 0.00 -0.08 0.58 0.58 0.70 0.00 0.00 175.17 176.95 2ckc h VAL 2615N 6.21 0.81 0.00 2.11 2.07 -1.96 -3.45 116.25 122.04 2ckc h VAL 2615Ca -0.36 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.60 2ckc h VAL 2615Cb 1.11 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2ckc h VAL 2615CO 0.58 0.74 0.00 -0.11 0.02 0.00 0.00 177.57 178.79 2ckc n LEU 2616N -3.32 -0.15 -3.30 2.57 7.94 -1.26 -5.09 117.00 114.39 2ckc n LEU 2616Ca -0.23 0.10 0.03 0.00 -1.11 0.00 0.00 56.01 54.79 2ckc n LEU 2616Cb 1.05 0.24 -0.02 0.00 0.53 0.00 0.00 43.42 45.22 2ckc n LEU 2616CO 0.45 -0.52 0.29 0.12 -1.11 0.00 0.00 177.39 176.62 2ckc s PHE 2617N -2.00 -1.31 0.00 1.96 5.36 -1.26 -5.03 117.98 115.70 2ckc s PHE 2617Ca 0.00 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 2ckc s PHE 2617Cb 0.00 0.57 0.00 0.00 -0.34 0.00 0.00 43.02 43.25 2ckc s PHE 2617CO 0.00 -0.69 0.00 0.43 -1.46 0.00 0.00 175.22 173.50 2ckc n SER 2618N 5.40 3.08 -4.42 6.13 7.64 -1.26 -4.96 113.62 125.23 2ckc n SER 2618Ca -0.05 -0.04 -0.44 0.00 1.01 0.00 0.00 58.87 59.34 2ckc n SER 2618Cb 0.51 0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 64.38 2ckc n SER 2618CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ckc s SER 2619N -1.32 6.50 0.00 6.43 0.15 -1.26 -4.67 113.70 119.53 2ckc s SER 2619Ca 0.00 -1.88 0.16 0.00 0.70 0.00 0.00 55.95 54.93 2ckc s SER 2619Cb 0.00 -2.35 0.41 0.00 -1.71 0.00 0.00 66.02 62.37 2ckc s SER 2619CO 0.00 -1.05 1.33 0.33 1.20 0.00 0.00 173.24 175.05 2ckc n PHE 2620N 6.24 0.58 -0.05 3.44 7.35 -1.26 -4.27 117.46 129.49 2ckc n PHE 2620Ca 0.12 -0.41 0.11 0.00 -0.76 0.00 0.00 57.45 56.51 2ckc n PHE 2620Cb 0.47 -0.01 0.29 0.00 0.35 0.00 0.00 39.48 40.57 2ckc n PHE 2620CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2ckc n GLN 2621N 1.03 2.57 0.00 -4.13 6.02 -1.26 -5.34 117.38 116.27 2ckc n GLN 2621Ca 0.16 -2.42 0.13 0.00 -0.01 0.00 0.00 57.00 54.87 2ckc n GLN 2621Cb 0.50 -1.53 0.41 0.00 1.02 0.00 0.00 30.24 30.64 2ckc n GLN 2621CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41