#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cnk s VAL 2560N 0.00 4.29 -0.09 -0.18 1.01 -1.26 -4.60 120.40 119.58 3cnk s VAL 2560Ca 0.00 1.82 -0.00 0.00 0.00 0.00 0.00 61.98 63.80 3cnk s VAL 2560Cb 0.00 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.21 3cnk s VAL 2560CO 0.00 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 3cnk s VAL 2561N -1.09 0.78 0.05 2.92 1.01 -0.79 -4.44 120.40 118.85 3cnk s VAL 2561Ca 0.38 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3cnk s VAL 2561Cb -0.24 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3cnk s VAL 2561CO 0.28 0.32 0.15 0.00 0.00 0.00 0.00 175.10 175.84 3cnk s ALA 2562N 1.58 3.80 -0.06 5.51 0.00 -1.26 -0.40 121.76 130.93 3cnk s ALA 2562Ca 0.01 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3cnk s ALA 2562Cb -0.13 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.33 3cnk s ALA 2562CO -0.05 0.78 0.21 0.15 0.00 0.00 0.00 175.76 176.84 3cnk s LYS 2563N -2.30 0.30 0.00 0.00 1.02 -0.40 -5.00 119.74 113.37 3cnk s LYS 2563Ca 0.31 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.47 3cnk s LYS 2563Cb -0.13 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 3cnk s LYS 2563CO 0.23 -0.05 0.00 0.41 -0.92 0.00 0.00 175.35 175.02 3cnk n GLY 2564N 2.67 4.28 0.28 -3.33 0.00 -1.26 -0.68 105.19 107.15 3cnk n GLY 2564Ca -0.14 -1.53 0.10 0.00 0.00 0.00 0.00 46.02 44.45 3cnk n GLY 2564CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3cnk h LEU 2565N 0.00 0.00 0.00 0.99 3.38 -1.94 -2.34 115.31 115.40 3cnk h LEU 2565Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cnk h LEU 2565Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cnk h LEU 2565CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3cnk n GLY 2566N -1.54 -0.80 0.12 0.83 0.00 -0.32 -0.89 105.19 102.59 3cnk n GLY 2566Ca -0.01 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3cnk n GLY 2566CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cnk n LEU 2567N -1.44 0.74 0.00 0.99 4.77 -0.88 -4.27 117.00 116.91 3cnk n LEU 2567Ca 0.03 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 3cnk n LEU 2567Cb 0.11 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3cnk n LEU 2567CO 0.09 -0.38 0.00 -1.54 -1.33 0.00 0.00 177.39 174.23 3cnk n SER 2568N -2.25 0.00 -3.94 -1.43 3.41 -0.71 -4.57 113.62 104.12 3cnk n SER 2568Ca 0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 3cnk n SER 2568Cb 0.33 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 3cnk n SER 2568CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3cnk s LYS 2569N 0.00 0.78 0.04 4.33 -0.14 -0.07 -4.12 119.74 120.56 3cnk s LYS 2569Ca 0.00 -0.18 -0.17 0.00 -1.36 0.00 0.00 55.97 54.26 3cnk s LYS 2569Cb 0.00 -0.76 0.03 0.00 -1.68 0.00 0.00 37.83 35.42 3cnk s LYS 2569CO 0.00 0.02 0.39 0.00 -0.76 0.00 0.00 175.35 175.00 3cnk s ALA 2570N 0.48 -0.94 0.03 5.17 0.00 -1.26 -4.17 121.76 121.07 3cnk s ALA 2570Ca -0.06 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.22 3cnk s ALA 2570Cb -0.10 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3cnk s ALA 2570CO 0.00 -0.43 -0.13 0.71 0.00 0.00 0.00 175.76 175.91 3cnk s TYR 2571N -2.33 1.18 0.03 0.00 2.02 -1.26 -4.36 117.35 112.63 3cnk s TYR 2571Ca -0.06 -0.32 -0.34 0.00 -0.37 0.00 0.00 57.07 55.97 3cnk s TYR 2571Cb -0.01 -0.72 -0.13 0.00 -0.40 0.00 0.00 41.96 40.70 3cnk s TYR 2571CO -0.01 0.02 1.70 0.28 -1.57 0.00 0.00 175.55 175.96 3cnk n VAL 2572N 2.10 0.26 -0.24 0.71 0.31 -1.26 -2.05 118.33 118.15 3cnk n VAL 2572Ca -0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3cnk n VAL 2572Cb 0.55 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 3cnk n VAL 2572CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cnk n GLY 2573N 3.80 1.82 3.38 2.92 0.00 0.05 -5.01 105.19 112.16 3cnk n GLY 2573Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3cnk n GLY 2573CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cnk s GLN 2574N -0.25 3.44 0.24 1.61 2.00 -0.87 -4.98 119.66 120.84 3cnk s GLN 2574Ca 0.00 -0.64 -0.31 0.00 -2.00 0.00 0.00 55.36 52.41 3cnk s GLN 2574Cb 0.00 -2.77 -0.11 0.00 0.80 0.00 0.00 33.01 30.93 3cnk s GLN 2574CO 0.00 0.12 1.65 0.15 -0.50 0.00 0.00 175.29 176.71 3cnk s LYS 2575N 0.61 4.14 -0.08 1.67 1.02 -1.26 -4.40 119.74 121.44 3cnk s LYS 2575Ca -0.06 2.56 0.00 0.00 0.02 0.00 0.00 55.97 58.49 3cnk s LYS 2575Cb -0.15 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 3cnk s LYS 2575CO 0.03 -0.68 -0.07 0.45 -0.92 0.00 0.00 175.35 174.16 3cnk s SER 2576N 0.88 4.63 0.06 2.83 0.15 0.04 -4.93 113.70 117.36 3cnk s SER 2576Ca 0.69 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 57.33 3cnk s SER 2576Cb -0.48 -1.28 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 3cnk s SER 2576CO 0.38 0.32 -0.11 -0.44 1.20 0.00 0.00 173.24 174.59 3cnk s SER 2577N -0.58 1.34 0.29 5.45 0.01 -1.26 -0.83 113.70 118.13 3cnk s SER 2577Ca 0.09 -0.60 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 3cnk s SER 2577Cb -0.12 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.11 3cnk s SER 2577CO 0.02 -0.13 0.54 0.72 0.41 0.00 0.00 173.24 174.80 3cnk s PHE 2578N -1.36 0.45 0.20 2.43 -0.71 -0.56 -1.17 117.98 117.26 3cnk s PHE 2578Ca -0.05 -0.83 0.10 0.00 -1.04 0.00 0.00 56.93 55.10 3cnk s PHE 2578Cb -0.10 0.27 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 3cnk s PHE 2578CO 0.01 -1.13 -0.19 0.95 -1.34 0.00 0.00 175.22 173.52 3cnk s THR 2579N -3.53 2.05 -0.11 -4.49 -4.23 0.15 -0.94 115.64 104.54 3cnk s THR 2579Ca 0.22 -2.08 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3cnk s THR 2579Cb -0.02 -2.02 0.03 0.00 1.34 0.00 0.00 72.50 71.83 3cnk s THR 2579CO 0.12 -0.33 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.11 3cnk s VAL 2580N -2.18 0.97 -0.44 2.29 1.01 0.07 -1.27 120.40 120.85 3cnk s VAL 2580Ca 0.20 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3cnk s VAL 2580Cb -0.05 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.38 3cnk s VAL 2580CO 0.09 0.36 0.33 -0.62 0.00 0.00 0.00 175.10 175.26 3cnk s ASP 2581N 1.73 6.02 -0.11 3.32 -1.08 0.47 -0.67 116.67 126.35 3cnk s ASP 2581Ca 0.05 -1.22 0.15 0.00 -0.52 0.00 0.00 52.55 51.01 3cnk s ASP 2581Cb -0.13 -2.13 0.49 0.00 -1.46 0.00 0.00 42.92 39.69 3cnk s ASP 2581CO -0.08 -0.56 1.41 0.00 0.52 0.00 0.00 175.17 176.46 3cnk h SER 2583N 2.27 0.00 -0.28 0.00 4.64 -1.72 -2.07 113.55 116.39 3cnk h SER 2583Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cnk h SER 2583Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3cnk h SER 2583CO 0.16 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.49 3cnk n LYS 2584N -3.99 2.46 -3.03 4.77 4.76 -1.26 -4.94 118.16 116.92 3cnk n LYS 2584Ca -0.02 -2.18 -0.19 0.00 -2.87 0.00 0.00 58.31 53.04 3cnk n LYS 2584Cb 0.17 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 31.92 3cnk n LYS 2584CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cnk s ALA 2585N -1.65 4.70 0.64 7.82 0.00 -0.78 -4.88 121.76 127.61 3cnk s ALA 2585Ca 0.36 -2.11 0.00 0.00 0.00 0.00 0.00 51.96 50.20 3cnk s ALA 2585Cb 0.22 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3cnk s ALA 2585CO 0.31 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3cnk n GLY 2586N -2.21 1.26 2.49 0.00 0.00 -1.26 -4.98 105.19 100.49 3cnk n GLY 2586Ca 0.15 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 3cnk n GLY 2586CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cnk n ASN 2587N 0.00 6.88 -3.63 1.61 3.02 -1.26 -4.99 115.26 116.89 3cnk n ASN 2587Ca 0.00 -3.79 -0.21 0.00 -0.03 0.00 0.00 54.58 50.55 3cnk n ASN 2587Cb 0.00 -0.85 0.14 0.00 -0.61 0.00 0.00 39.78 38.46 3cnk n ASN 2587CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cnk n ASN 2588N -0.71 0.38 -4.70 6.41 2.85 -1.26 -5.08 115.26 113.15 3cnk n ASN 2588Ca 0.54 -1.53 -0.35 0.00 -0.11 0.00 0.00 54.58 53.13 3cnk n ASN 2588Cb 0.57 -0.70 -0.09 0.00 1.24 0.00 0.00 39.78 40.80 3cnk n ASN 2588CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 3cnk s MET 2589N -5.02 3.56 -0.16 1.20 -2.45 -1.26 -4.89 119.30 110.28 3cnk s MET 2589Ca 0.56 -0.32 -0.08 0.00 -1.25 0.00 0.00 55.69 54.61 3cnk s MET 2589Cb -0.02 -3.08 -0.04 0.00 1.25 0.00 0.00 34.83 32.94 3cnk s MET 2589CO 0.39 0.51 0.11 -1.17 1.05 0.00 0.00 175.02 175.92 3cnk s LEU 2590N -0.32 4.17 -0.02 4.11 2.96 -1.26 -0.35 118.68 127.97 3cnk s LEU 2590Ca 0.09 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 3cnk s LEU 2590Cb -0.12 -2.04 0.00 0.00 0.50 0.00 0.00 46.19 44.53 3cnk s LEU 2590CO 0.02 0.28 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.49 3cnk s LEU 2591N -0.25 1.79 -0.06 -0.68 2.01 -0.10 -5.01 118.68 116.38 3cnk s LEU 2591Ca 0.10 -0.15 0.03 0.00 0.01 0.00 0.00 54.13 54.12 3cnk s LEU 2591Cb -0.12 -0.45 0.01 0.00 0.01 0.00 0.00 46.19 45.65 3cnk s LEU 2591CO 0.01 0.05 -0.12 -0.69 1.01 0.00 0.00 176.35 176.61 3cnk s VAL 2592N 0.19 1.12 0.05 -1.59 1.01 -1.26 -0.51 120.40 119.40 3cnk s VAL 2592Ca -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3cnk s VAL 2592Cb -0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3cnk s VAL 2592CO 0.00 0.35 -0.08 -0.83 0.00 0.00 0.00 175.10 174.54 3cnk s GLY 2593N 0.52 0.56 -0.16 4.51 0.00 -0.48 -5.00 107.32 107.27 3cnk s GLY 2593Ca -0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 3cnk s GLY 2593CO 0.03 -0.92 -0.06 0.14 0.00 0.00 0.00 173.10 172.29 3cnk s VAL 2594N -1.74 1.11 -0.31 1.40 1.01 -1.26 -0.51 120.40 120.11 3cnk s VAL 2594Ca -0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3cnk s VAL 2594Cb -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 3cnk s VAL 2594CO -0.00 0.17 0.17 -2.28 0.00 0.00 0.00 175.10 173.15 3cnk s HIS 2595N 1.64 3.19 -0.19 5.22 2.46 0.14 -4.41 115.29 123.33 3cnk s HIS 2595Ca 0.01 -0.39 -0.07 0.00 0.47 0.00 0.00 55.06 55.08 3cnk s HIS 2595Cb -0.15 -2.38 -0.04 0.00 -0.13 0.00 0.00 32.58 29.88 3cnk s HIS 2595CO -0.08 -0.39 0.06 0.20 -2.47 0.00 0.00 174.74 172.06 3cnk s GLY 2596N 1.66 1.87 0.37 1.59 0.00 -1.26 -1.20 107.32 110.35 3cnk s GLY 2596Ca 0.05 -0.81 0.27 0.00 0.00 0.00 0.00 44.72 44.24 3cnk s GLY 2596CO 0.08 0.12 1.81 -0.56 0.00 0.00 0.00 173.10 174.54 3cnk h PRO 2597N 6.92 0.00 0.00 2.90 0.13 -1.97 -3.42 132.00 136.56 3cnk h PRO 2597Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3cnk h PRO 2597Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3cnk h PRO 2597CO 0.68 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 176.32 3cnk n ARG 2598N -2.46 0.00 -2.41 0.86 0.63 -1.26 -5.06 116.66 106.96 3cnk n ARG 2598Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3cnk n ARG 2598Cb 0.16 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.04 3cnk n ARG 2598CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3cnk s THR 2599N 1.02 4.07 0.79 5.15 2.01 -1.26 -5.01 115.64 122.42 3cnk s THR 2599Ca 0.00 1.46 -0.13 0.00 0.31 0.00 0.00 61.69 63.34 3cnk s THR 2599Cb 0.00 -3.94 0.07 0.00 0.01 0.00 0.00 72.50 68.64 3cnk s THR 2599CO 0.00 0.06 1.16 -2.84 -0.69 0.00 0.00 174.62 172.31 3cnk s PRO 2600N 1.59 1.87 0.23 4.92 0.02 -1.26 -4.46 135.00 137.91 3cnk s PRO 2600Ca 0.58 1.55 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 3cnk s PRO 2600Cb -0.28 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.29 3cnk s PRO 2600CO 0.26 -1.99 1.56 0.00 -0.33 0.00 0.00 177.00 176.50 3cnk h GLU 2602N 5.23 0.14 -3.33 0.00 5.08 -1.09 -3.46 114.58 117.14 3cnk h GLU 2602Ca -0.45 -0.08 -0.16 0.00 -1.00 0.00 0.00 59.36 57.67 3cnk h GLU 2602Cb 1.24 0.01 -0.24 0.00 0.50 0.00 0.00 28.75 30.26 3cnk h GLU 2602CO 0.83 0.62 -0.47 -1.21 -1.00 0.00 0.00 179.01 177.78 3cnk s GLU 2603N -4.15 0.35 -0.05 2.33 2.02 -1.16 -4.98 118.70 113.06 3cnk s GLU 2603Ca -0.15 0.01 0.01 0.00 0.02 0.00 0.00 54.97 54.86 3cnk s GLU 2603Cb 0.03 0.15 0.02 0.00 0.10 0.00 0.00 34.13 34.43 3cnk s GLU 2603CO 0.71 -0.07 -0.06 -1.50 0.02 0.00 0.00 175.26 174.36 3cnk s ILE 2604N -0.50 0.63 -0.15 -1.63 2.07 -1.26 -1.47 121.20 118.90 3cnk s ILE 2604Ca -0.06 -0.19 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 3cnk s ILE 2604Cb -0.04 -0.64 0.02 0.00 0.13 0.00 0.00 42.46 41.93 3cnk s ILE 2604CO 0.01 0.24 -0.18 -0.22 -1.91 0.00 0.00 174.94 172.89 3cnk s LEU 2605N 0.84 1.91 -0.16 8.50 2.96 0.35 -5.00 118.68 128.08 3cnk s LEU 2605Ca -0.12 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3cnk s LEU 2605Cb -0.15 -1.30 0.00 0.00 0.50 0.00 0.00 46.19 45.25 3cnk s LEU 2605CO 0.01 0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.18 3cnk s VAL 2606N 1.17 2.40 -0.07 1.68 1.01 -1.26 -1.27 120.40 124.07 3cnk s VAL 2606Ca -0.00 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3cnk s VAL 2606Cb -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3cnk s VAL 2606CO -0.07 0.53 -0.19 -0.54 0.00 0.00 0.00 175.10 174.82 3cnk s LYS 2607N 0.91 2.25 -0.36 2.72 1.02 -0.03 -4.98 119.74 121.27 3cnk s LYS 2607Ca -0.04 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 3cnk s LYS 2607Cb -0.15 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.35 3cnk s LYS 2607CO -0.03 0.19 1.16 -1.58 -0.92 0.00 0.00 175.35 174.17 3cnk s HIS 2608N 0.27 2.92 -2.32 3.18 5.65 -1.26 -0.94 115.29 122.80 3cnk s HIS 2608Ca -0.11 0.98 0.27 0.00 0.25 0.00 0.00 55.06 56.45 3cnk s HIS 2608Cb -0.15 -3.95 0.82 0.00 -1.18 0.00 0.00 32.58 28.12 3cnk s HIS 2608CO 0.05 -1.17 1.61 1.33 -0.65 0.00 0.00 174.74 175.90 3cnk n VAL 2609N 6.23 0.00 0.00 0.89 0.24 0.25 -4.98 118.33 120.97 3cnk n VAL 2609Ca 0.13 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 3cnk n VAL 2609Cb 0.47 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 3cnk n VAL 2609CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cnk n GLY 2610N 1.25 3.33 2.41 7.63 0.00 -1.21 -4.94 105.19 113.66 3cnk n GLY 2610Ca 0.16 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 3cnk n GLY 2610CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cnk n SER 2611N 0.00 -5.28 -1.87 1.61 7.64 -1.26 -1.47 113.62 112.98 3cnk n SER 2611Ca 0.00 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.78 3cnk n SER 2611Cb 0.00 -4.43 -0.02 0.00 -1.01 0.00 0.00 64.21 58.75 3cnk n SER 2611CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cnk n ARG 2612N -2.91 -1.36 -3.84 1.43 5.12 -1.26 -4.23 116.66 109.60 3cnk n ARG 2612Ca -0.22 0.89 -0.37 0.00 -1.93 0.00 0.00 57.85 56.23 3cnk n ARG 2612Cb 0.66 -5.32 -0.06 0.00 -1.16 0.00 0.00 32.46 26.58 3cnk n ARG 2612CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3cnk s LEU 2613N -4.83 4.40 0.01 0.55 2.96 -0.54 -0.72 118.68 120.50 3cnk s LEU 2613Ca 0.00 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.48 3cnk s LEU 2613Cb 0.00 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3cnk s LEU 2613CO 0.00 0.39 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.91 3cnk s TYR 2614N -1.07 1.70 -0.12 5.38 1.51 0.15 -0.58 117.35 124.33 3cnk s TYR 2614Ca 0.17 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.84 3cnk s TYR 2614Cb -0.13 -1.06 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 3cnk s TYR 2614CO 0.06 0.02 0.07 0.45 -1.11 0.00 0.00 175.55 175.05 3cnk s SER 2615N -0.77 5.81 -0.05 2.29 0.15 -0.11 -0.75 113.70 120.27 3cnk s SER 2615Ca 0.07 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.03 3cnk s SER 2615Cb -0.08 -1.82 -0.00 0.00 -1.71 0.00 0.00 66.02 62.41 3cnk s SER 2615CO 0.00 0.35 -0.16 -0.69 1.20 0.00 0.00 173.24 173.95 3cnk s VAL 2616N -0.71 1.34 -0.01 4.45 1.01 -0.12 -0.85 120.40 125.51 3cnk s VAL 2616Ca 0.12 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3cnk s VAL 2616Cb -0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3cnk s VAL 2616CO 0.03 0.39 -0.11 -0.44 0.00 0.00 0.00 175.10 174.96 3cnk s SER 2617N 0.15 1.30 0.08 3.32 0.01 -0.40 -1.49 113.70 116.67 3cnk s SER 2617Ca -0.06 -0.22 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 3cnk s SER 2617Cb -0.12 -0.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 3cnk s SER 2617CO 0.02 0.12 0.05 -0.72 0.41 0.00 0.00 173.24 173.13 3cnk s TYR 2618N -0.30 0.54 -0.04 2.43 1.13 -0.01 -0.50 117.35 120.60 3cnk s TYR 2618Ca 0.04 -1.01 -0.01 0.00 -1.41 0.00 0.00 57.07 54.68 3cnk s TYR 2618Cb -0.04 -0.34 0.03 0.00 -1.10 0.00 0.00 41.96 40.51 3cnk s TYR 2618CO -0.00 -0.46 0.02 -1.17 -2.51 0.00 0.00 175.55 171.42 3cnk s LEU 2619N -2.95 0.78 0.13 -3.49 2.96 -0.54 -0.78 118.68 114.79 3cnk s LEU 2619Ca 0.12 -0.01 0.10 0.00 -0.22 0.00 0.00 54.13 54.12 3cnk s LEU 2619Cb 0.07 -0.23 -0.04 0.00 0.50 0.00 0.00 46.19 46.49 3cnk s LEU 2619CO -0.07 -0.16 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.85 3cnk s LEU 2620N 1.51 2.63 0.00 -0.68 1.43 -1.26 -0.41 118.68 121.89 3cnk s LEU 2620Ca -0.03 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 3cnk s LEU 2620Cb -0.13 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3cnk s LEU 2620CO -0.03 0.17 0.37 2.29 0.23 0.00 0.00 176.35 179.37 3cnk n LYS 2621N 0.70 3.71 -4.05 1.70 2.85 -1.26 -0.77 118.16 121.04 3cnk n LYS 2621Ca -0.15 -0.24 -0.10 0.00 -1.05 0.00 0.00 58.31 56.77 3cnk n LYS 2621Cb 0.53 -0.86 -0.11 0.00 -0.65 0.00 0.00 35.03 33.94 3cnk n LYS 2621CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3cnk s ASP 2622N -1.27 0.59 0.83 -5.58 2.15 -1.26 -4.84 116.67 107.30 3cnk s ASP 2622Ca 0.04 -0.70 -0.11 0.00 0.43 0.00 0.00 52.55 52.20 3cnk s ASP 2622Cb 0.05 0.11 0.09 0.00 -0.30 0.00 0.00 42.92 42.86 3cnk s ASP 2622CO 0.19 -0.37 1.09 -1.59 -0.17 0.00 0.00 175.17 174.32 3cnk s LYS 2623N -2.42 1.77 0.00 4.34 -2.85 -1.26 -4.86 119.74 114.47 3cnk s LYS 2623Ca -0.05 0.78 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 3cnk s LYS 2623Cb -0.04 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.86 3cnk s LYS 2623CO -0.03 -1.88 0.00 0.41 0.10 0.00 0.00 175.35 173.95 3cnk n GLY 2624N -1.59 0.77 3.75 0.59 0.00 -0.22 -4.95 105.19 103.54 3cnk n GLY 2624Ca 0.07 -2.10 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 3cnk n GLY 2624CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cnk s GLU 2625N -1.08 4.17 0.26 1.61 2.12 -1.26 -0.47 118.70 124.05 3cnk s GLU 2625Ca 0.00 0.08 0.12 0.00 0.36 0.00 0.00 54.97 55.53 3cnk s GLU 2625Cb 0.00 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 3cnk s GLU 2625CO 0.00 0.32 -0.20 0.71 -0.54 0.00 0.00 175.26 175.55 3cnk s TYR 2626N 0.23 2.24 -0.19 5.30 1.51 0.96 -4.56 117.35 122.84 3cnk s TYR 2626Ca 0.16 -0.35 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 3cnk s TYR 2626Cb -0.13 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.73 3cnk s TYR 2626CO 0.04 0.66 -0.12 0.99 -1.11 0.00 0.00 175.55 176.01 3cnk s THR 2627N -2.43 2.73 -0.25 -0.71 2.01 -0.34 -1.15 115.64 115.50 3cnk s THR 2627Ca 0.28 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 3cnk s THR 2627Cb -0.05 -2.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3cnk s THR 2627CO 0.14 0.48 0.28 -0.22 -0.69 0.00 0.00 174.62 174.61 3cnk s LEU 2628N 1.31 4.08 -0.15 4.42 2.96 0.40 0.24 118.68 131.94 3cnk s LEU 2628Ca 0.04 0.22 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3cnk s LEU 2628Cb -0.14 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 3cnk s LEU 2628CO -0.07 -0.07 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.11 3cnk s VAL 2629N 1.58 3.37 -0.16 1.68 1.01 0.34 -0.13 120.40 128.09 3cnk s VAL 2629Ca 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 3cnk s VAL 2629Cb -0.15 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.82 3cnk s VAL 2629CO 0.08 0.50 -0.06 -0.69 0.00 0.00 0.00 175.10 174.93 3cnk s VAL 2630N 0.45 1.18 0.08 2.92 1.01 -1.26 -1.38 120.40 123.40 3cnk s VAL 2630Ca -0.07 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.37 3cnk s VAL 2630Cb -0.15 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3cnk s VAL 2630CO 0.04 0.17 -0.26 -0.54 0.00 0.00 0.00 175.10 174.51 3cnk s LYS 2631N 1.61 1.58 -0.18 2.72 1.02 0.33 -1.78 119.74 125.04 3cnk s LYS 2631Ca 0.01 -1.18 -0.00 0.00 0.02 0.00 0.00 55.97 54.82 3cnk s LYS 2631Cb -0.15 -1.87 0.05 0.00 -0.52 0.00 0.00 37.83 35.34 3cnk s LYS 2631CO -0.08 0.47 -0.05 -0.46 -0.92 0.00 0.00 175.35 174.30 3cnk s TRP 2632N -0.91 1.88 -1.43 3.18 -0.11 0.22 -0.93 118.94 120.84 3cnk s TRP 2632Ca 0.12 -1.26 -0.09 0.00 1.22 0.00 0.00 56.10 56.09 3cnk s TRP 2632Cb -0.10 -1.39 0.05 0.00 -1.50 0.00 0.00 33.47 30.53 3cnk s TRP 2632CO 0.03 -0.66 0.96 0.41 -4.62 0.00 0.00 176.95 173.07 3cnk n GLY 2633N 4.82 -0.45 3.17 5.86 0.00 0.53 -2.01 105.19 117.11 3cnk n GLY 2633Ca -0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3cnk n GLY 2633CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cnk n HIS 2634N -4.62 0.00 -4.07 1.61 8.25 -1.26 -4.98 115.22 110.15 3cnk n HIS 2634Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 3cnk n HIS 2634Cb 0.58 -1.43 -0.07 0.00 1.12 0.00 0.00 29.99 30.19 3cnk n HIS 2634CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3cnk s GLU 2635N -1.28 3.22 0.29 -0.41 0.41 -0.85 -5.05 118.70 115.03 3cnk s GLU 2635Ca 0.00 -0.32 -0.30 0.00 -0.41 0.00 0.00 54.97 53.94 3cnk s GLU 2635Cb 0.00 -2.99 -0.11 0.00 -1.78 0.00 0.00 34.13 29.25 3cnk s GLU 2635CO 0.00 0.71 1.55 -1.01 -0.49 0.00 0.00 175.26 176.02 3cnk s HIS 2636N -1.07 2.79 0.79 1.61 3.76 -1.26 -0.61 115.29 121.29 3cnk s HIS 2636Ca 0.18 0.88 -0.11 0.00 -0.15 0.00 0.00 55.06 55.86 3cnk s HIS 2636Cb -0.12 -4.01 0.07 0.00 1.11 0.00 0.00 32.58 29.62 3cnk s HIS 2636CO 0.08 -3.33 1.09 0.96 -0.85 0.00 0.00 174.74 172.68 3cnk s ILE 2637N -0.15 3.27 0.13 0.60 -4.36 -0.73 -4.84 121.20 115.12 3cnk s ILE 2637Ca 0.61 0.41 -0.34 0.00 -0.26 0.00 0.00 60.65 61.07 3cnk s ILE 2637Cb -0.46 -2.99 -0.14 0.00 1.25 0.00 0.00 42.46 40.12 3cnk s ILE 2637CO 0.49 -0.54 1.59 -2.65 0.24 0.00 0.00 174.94 174.07 3cnk n PRO 2638N -3.52 2.08 0.00 0.37 -0.02 -1.26 -1.31 135.00 131.34 3cnk n PRO 2638Ca 0.08 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3cnk n PRO 2638Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3cnk n PRO 2638CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cnk n GLY 2639N 3.44 3.19 3.77 -1.23 0.00 -1.26 -4.73 105.19 108.36 3cnk n GLY 2639Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3cnk n GLY 2639CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cnk s SER 2640N 0.13 7.44 0.28 1.61 0.15 -0.43 -3.56 113.70 119.33 3cnk s SER 2640Ca 0.00 1.70 -0.28 0.00 0.70 0.00 0.00 55.95 58.07 3cnk s SER 2640Cb 0.00 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.69 3cnk s SER 2640CO 0.00 0.18 1.00 -2.16 1.20 0.00 0.00 173.24 173.45 3cnk s PRO 2641N -1.05 4.68 -0.11 5.44 0.04 -1.26 -4.69 135.00 138.05 3cnk s PRO 2641Ca 0.37 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 3cnk s PRO 2641Cb -0.24 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 3cnk s PRO 2641CO 0.27 0.32 0.24 0.71 0.04 0.00 0.00 177.00 178.58 3cnk s TYR 2642N -1.31 3.58 -0.19 0.56 1.51 0.81 -4.93 117.35 117.38 3cnk s TYR 2642Ca 0.45 0.63 -0.20 0.00 -1.01 0.00 0.00 57.07 56.95 3cnk s TYR 2642Cb -0.26 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 3cnk s TYR 2642CO 0.32 0.55 0.57 1.03 -1.11 0.00 0.00 175.55 176.92 3cnk s ARG 2643N -0.53 4.21 -0.19 -0.62 0.52 -1.26 -0.45 118.95 120.62 3cnk s ARG 2643Ca 0.16 0.52 0.01 0.00 -0.52 0.00 0.00 55.73 55.90 3cnk s ARG 2643Cb -0.13 -3.56 0.03 0.00 0.52 0.00 0.00 34.95 31.81 3cnk s ARG 2643CO 0.05 -0.18 -0.17 0.08 0.02 0.00 0.00 175.30 175.11 3cnk s VAL 2644N 1.71 1.96 -0.27 3.52 1.01 -0.30 -4.64 120.40 123.40 3cnk s VAL 2644Ca 0.27 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 3cnk s VAL 2644Cb -0.16 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3cnk s VAL 2644CO 0.10 0.39 0.13 -0.69 0.00 0.00 0.00 175.10 175.03 3cnk s VAL 2645N 1.30 4.73 -0.26 2.92 1.01 -1.26 -0.03 120.40 128.81 3cnk s VAL 2645Ca 0.02 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.81 3cnk s VAL 2645Cb -0.14 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3cnk s VAL 2645CO -0.11 0.26 0.17 -0.69 0.00 0.00 0.00 175.10 174.73 3cnk s VAL 2646N 1.67 5.23 -2.00 2.92 1.01 0.38 -4.47 120.40 125.14 3cnk s VAL 2646Ca 0.06 0.14 0.29 0.00 0.00 0.00 0.00 61.98 62.48 3cnk s VAL 2646Cb -0.16 -3.47 0.84 0.00 0.00 0.00 0.00 36.38 33.59 3cnk s VAL 2646CO 0.07 0.30 2.09 -0.81 0.00 0.00 0.00 175.10 176.75