#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3t s ALA -2 N 0.00 2.10 0.16 4.61 0.00 -1.26 -5.09 121.76 122.27 2k3t s ALA -2 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 2k3t s ALA -2 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2k3t s ALA -2 CO 0.00 -1.93 0.05 -1.64 0.00 0.00 0.00 175.76 172.24 2k3t s MET -1 N -4.88 1.03 -0.05 0.00 -1.94 -1.20 -4.86 119.30 107.39 2k3t s MET -1 Ca 0.62 -1.50 -0.12 0.00 -1.71 0.00 0.00 55.69 52.98 2k3t s MET -1 Cb -0.18 0.08 0.02 0.00 2.01 0.00 0.00 34.83 36.77 2k3t s MET -1 CO 0.56 -0.24 0.27 0.20 -0.01 0.00 0.00 175.02 175.80 2k3t s GLY 2427N -3.11 -0.14 -0.19 -0.03 0.00 -0.98 -1.90 107.32 100.97 2k3t s GLY 2427Ca 0.26 0.45 -0.13 0.00 0.00 0.00 0.00 44.72 45.30 2k3t s GLY 2427CO 0.04 0.29 0.25 0.99 0.00 0.00 0.00 173.10 174.67 2k3t s ASP 2428N -0.73 6.34 0.54 1.64 1.01 -1.24 -4.68 116.67 119.56 2k3t s ASP 2428Ca -0.08 0.39 0.32 0.00 0.71 0.00 0.00 52.55 53.88 2k3t s ASP 2428Cb -0.04 -2.16 1.51 0.00 1.01 0.00 0.00 42.92 43.24 2k3t s ASP 2428CO 0.02 0.09 2.06 1.55 0.21 0.00 0.00 175.17 179.10 2k3t h PRO 2429N 6.91 0.00 0.00 8.23 0.13 -1.91 -1.96 132.00 143.40 2k3t h PRO 2429Ca -0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2k3t h PRO 2429Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k3t h PRO 2429CO 0.74 0.08 -0.24 0.78 -0.23 0.00 0.00 178.00 179.13 2k3t h GLY 2430N 1.25 0.00 1.37 1.56 0.00 -1.92 -1.97 103.07 103.36 2k3t h GLY 2430Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2k3t h GLY 2430CO 0.01 0.00 -1.43 1.41 0.00 0.00 0.00 176.54 176.53 2k3t h LEU 2431N 0.00 0.00 -9.72 3.11 -0.00 -1.75 -3.42 115.31 103.53 2k3t h LEU 2431Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.35 2k3t h LEU 2431Cb 0.94 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.64 2k3t h LEU 2431CO 0.03 0.98 0.69 -0.69 -0.00 0.00 0.00 178.44 179.45 2k3t s VAL 2432N -2.65 2.97 0.01 1.22 1.01 -0.80 -4.54 120.40 117.61 2k3t s VAL 2432Ca -0.02 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 2k3t s VAL 2432Cb 0.09 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 2k3t s VAL 2432CO 0.82 0.13 0.00 -0.44 0.00 0.00 0.00 175.10 175.62 2k3t s SER 2433N 0.24 0.09 0.10 3.32 0.01 -1.22 -2.64 113.70 113.60 2k3t s SER 2433Ca 0.57 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.57 2k3t s SER 2433Cb -0.39 0.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 2k3t s SER 2433CO 0.41 -0.15 0.33 0.00 0.41 0.00 0.00 173.24 174.25 2k3t s ALA 2434N -0.67 3.83 -0.02 1.44 0.00 -1.26 -1.23 121.76 123.84 2k3t s ALA 2434Ca -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2k3t s ALA 2434Cb -0.05 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.99 2k3t s ALA 2434CO -0.00 0.68 0.08 0.71 0.00 0.00 0.00 175.76 177.23 2k3t s TYR 2435N -1.55 -0.03 0.00 0.00 2.02 -0.26 -4.96 117.35 112.57 2k3t s TYR 2435Ca 0.37 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 57.14 2k3t s TYR 2435Cb -0.13 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.42 2k3t s TYR 2435CO 0.23 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 2k3t n GLY 2436N 2.61 3.79 0.25 0.71 0.00 -1.26 -0.54 105.19 110.75 2k3t n GLY 2436Ca -0.15 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.22 2k3t n GLY 2436CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3t h ALA 2437N 0.00 1.49 0.00 4.61 0.00 -1.89 -2.99 119.26 120.47 2k3t h ALA 2437Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k3t h ALA 2437Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k3t h ALA 2437CO 0.00 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2k3t n GLY 2438N -0.92 -0.98 0.14 0.00 0.00 -0.24 -1.56 105.19 101.63 2k3t n GLY 2438Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.01 2k3t n GLY 2438CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3t h LEU 2439N 0.00 0.00 0.09 0.99 3.38 -1.77 -3.36 115.31 114.65 2k3t h LEU 2439Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2k3t h LEU 2439Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k3t h LEU 2439CO 0.00 0.56 -1.83 -0.33 0.09 0.00 0.00 178.44 176.92 2k3t h GLU 2440N 0.00 0.20 0.00 1.13 4.39 -1.49 -3.06 114.58 115.74 2k3t h GLU 2440Ca -0.01 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2k3t h GLU 2440Cb 1.35 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 2k3t h GLU 2440CO 0.07 1.01 0.00 0.41 -1.16 0.00 0.00 179.01 179.34 2k3t n GLY 2441N 1.82 -0.24 0.00 -3.84 0.00 -1.12 -1.67 105.19 100.14 2k3t n GLY 2441Ca -0.25 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2k3t n GLY 2441CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3t n GLY 2442N 0.00 -0.31 3.10 -0.02 0.00 -1.25 -4.30 105.19 102.41 2k3t n GLY 2442Ca 0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 2k3t n GLY 2442CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k3t s VAL 2443N -3.16 1.07 0.34 1.61 1.01 -1.26 -1.54 120.40 118.48 2k3t s VAL 2443Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 2k3t s VAL 2443Cb 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 36.38 35.37 2k3t s VAL 2443CO 0.00 0.30 1.53 0.42 0.00 0.00 0.00 175.10 177.36 2k3t s THR 2444N -0.28 2.05 0.00 3.92 -4.23 -0.47 -2.29 115.64 114.34 2k3t s THR 2444Ca 0.04 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2k3t s THR 2444Cb -0.06 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.75 2k3t s THR 2444CO -0.00 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2k3t n GLY 2445N 1.14 2.82 3.74 3.99 0.00 -0.51 -4.84 105.19 111.53 2k3t n GLY 2445Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2k3t n GLY 2445CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k3t s ASN 2446N -3.68 5.34 0.20 1.61 0.01 -0.97 -5.00 114.94 112.45 2k3t s ASN 2446Ca 0.00 -0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 51.79 2k3t s ASN 2446Cb 0.00 -1.38 -0.08 0.00 0.41 0.00 0.00 41.25 40.20 2k3t s ASN 2446CO 0.00 0.18 1.18 -2.16 -1.51 0.00 0.00 177.10 174.79 2k3t s PRO 2447N -2.32 4.52 -0.03 -0.60 0.04 -1.26 -4.31 135.00 131.02 2k3t s PRO 2447Ca 0.28 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2k3t s PRO 2447Cb -0.12 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.15 2k3t s PRO 2447CO 0.20 -0.04 -0.05 0.00 0.04 0.00 0.00 177.00 177.15 2k3t s ALA 2448N -0.23 3.07 -0.09 8.56 0.00 0.11 -4.93 121.76 128.25 2k3t s ALA 2448Ca 0.51 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 2k3t s ALA 2448Cb -0.32 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.58 2k3t s ALA 2448CO 0.37 0.60 0.28 -2.00 0.00 0.00 0.00 175.76 175.01 2k3t s GLU 2449N -1.14 0.37 0.09 0.00 -6.30 -1.26 -0.84 118.70 109.61 2k3t s GLU 2449Ca 0.15 0.31 -0.21 0.00 -2.50 0.00 0.00 54.97 52.73 2k3t s GLU 2449Cb -0.11 0.17 0.05 0.00 0.00 0.00 0.00 34.13 34.24 2k3t s GLU 2449CO 0.05 -0.05 0.50 -0.59 0.02 0.00 0.00 175.26 175.18 2k3t s PHE 2450N -0.04 -0.38 -0.11 5.30 -0.12 -0.57 -1.08 117.98 120.99 2k3t s PHE 2450Ca -0.02 0.26 0.01 0.00 -0.05 0.00 0.00 56.93 57.13 2k3t s PHE 2450Cb -0.02 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 2k3t s PHE 2450CO 0.01 -0.70 -0.12 0.08 -0.05 0.00 0.00 175.22 174.43 2k3t s VAL 2451N -3.13 3.15 -0.56 -2.49 1.01 0.29 -0.69 120.40 117.98 2k3t s VAL 2451Ca -0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2k3t s VAL 2451Cb 0.00 -2.30 0.05 0.00 0.00 0.00 0.00 36.38 34.13 2k3t s VAL 2451CO -0.07 0.54 0.92 -0.69 0.00 0.00 0.00 175.10 175.80 2k3t s VAL 2452N -0.01 4.42 -0.27 2.92 1.01 0.61 -1.10 120.40 127.97 2k3t s VAL 2452Ca -0.03 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 2k3t s VAL 2452Cb -0.14 -4.54 0.01 0.00 0.00 0.00 0.00 36.38 31.71 2k3t s VAL 2452CO 0.04 -1.13 1.17 0.21 0.00 0.00 0.00 175.10 175.39 2k3t s ASN 2453N 2.92 6.88 0.00 3.32 3.84 -0.37 -2.55 114.94 128.99 2k3t s ASN 2453Ca 0.28 1.26 0.16 0.00 0.21 0.00 0.00 52.86 54.77 2k3t s ASN 2453Cb -0.14 -2.54 -0.16 0.00 -0.55 0.00 0.00 41.25 37.86 2k3t s ASN 2453CO 0.18 -0.89 0.69 0.35 -2.79 0.00 0.00 177.10 174.63 2k3t n THR 2454N 5.81 0.00 0.16 -5.21 -2.24 -1.06 -3.44 114.28 108.30 2k3t n THR 2454Ca 0.13 -0.14 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 2k3t n THR 2454Cb 0.46 1.01 0.67 0.00 -2.10 0.00 0.00 70.33 70.38 2k3t n THR 2454CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2k3t h SER 2455N 0.14 0.00 1.31 3.42 0.02 -1.87 -1.08 113.55 115.49 2k3t h SER 2455Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3t h SER 2455Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2k3t h SER 2455CO 0.00 0.00 -0.31 0.78 -1.14 0.00 0.00 176.83 176.16 2k3t h ASN 2456N 0.00 0.00 0.00 3.07 2.35 -1.85 -3.40 115.58 115.75 2k3t h ASN 2456Ca 0.10 -0.07 -0.36 0.00 -0.55 0.00 0.00 56.30 55.42 2k3t h ASN 2456Cb 0.39 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.70 2k3t h ASN 2456CO -0.00 0.04 -2.31 0.00 -1.65 0.00 0.00 177.43 173.50 2k3t n ALA 2457N -1.89 1.49 0.00 -0.83 0.00 -0.43 -4.89 120.51 113.96 2k3t n ALA 2457Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2k3t n ALA 2457Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2k3t n ALA 2457CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3t n GLY 2458N 2.23 0.09 2.90 0.00 0.00 -1.08 -3.61 105.19 105.72 2k3t n GLY 2458Ca -0.42 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 2k3t n GLY 2458CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3t s ALA 2459N -1.92 1.27 0.07 4.61 0.00 -0.80 -4.79 121.76 120.21 2k3t s ALA 2459Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 51.96 51.19 2k3t s ALA 2459Cb 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.34 2k3t s ALA 2459CO 0.00 -0.37 0.85 0.20 0.00 0.00 0.00 175.76 176.44 2k3t s GLY 2460N 1.64 -0.42 0.35 0.00 0.00 -1.26 -2.32 107.32 105.30 2k3t s GLY 2460Ca 0.03 0.67 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 2k3t s GLY 2460CO -0.07 0.21 0.96 0.00 0.00 0.00 0.00 173.10 174.20 2k3t s ALA 2461N -3.29 3.18 0.10 3.20 0.00 -1.26 -4.82 121.76 118.85 2k3t s ALA 2461Ca 0.06 0.54 -0.07 0.00 0.00 0.00 0.00 51.96 52.49 2k3t s ALA 2461Cb -0.01 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.86 2k3t s ALA 2461CO -0.06 0.11 0.37 -1.17 0.00 0.00 0.00 175.76 175.01 2k3t s LEU 2462N -2.26 4.31 -0.14 0.00 2.96 -1.26 -1.17 118.68 121.13 2k3t s LEU 2462Ca 0.52 0.67 0.22 0.00 -0.22 0.00 0.00 54.13 55.33 2k3t s LEU 2462Cb -0.18 -3.08 0.46 0.00 0.50 0.00 0.00 46.19 43.89 2k3t s LEU 2462CO 0.23 0.13 1.15 -0.24 -1.32 0.00 0.00 176.35 176.30 2k3t n SER 2463N 0.57 1.54 -4.75 3.68 2.88 0.22 -4.96 113.62 112.81 2k3t n SER 2463Ca -0.06 -2.27 -0.42 0.00 -1.33 0.00 0.00 58.87 54.79 2k3t n SER 2463Cb 0.52 -0.39 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2k3t n SER 2463CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2k3t n VAL 2464N -0.14 1.03 -4.19 2.46 3.14 -1.25 -4.29 118.33 115.09 2k3t n VAL 2464Ca 0.10 -0.26 -0.16 0.00 -2.96 0.00 0.00 64.34 61.06 2k3t n VAL 2464Cb 0.97 -1.97 -0.14 0.00 -1.06 0.00 0.00 33.84 31.64 2k3t n VAL 2464CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 2k3t s THR 2465N -0.02 0.56 -0.16 1.55 2.01 -0.71 -4.97 115.64 113.91 2k3t s THR 2465Ca 0.64 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2k3t s THR 2465Cb -0.50 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2k3t s THR 2465CO 0.49 0.00 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.58 2k3t s ILE 2466N -0.50 2.03 0.36 1.82 1.01 -1.26 -0.42 121.20 124.24 2k3t s ILE 2466Ca -0.01 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.78 2k3t s ILE 2466Cb -0.05 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2k3t s ILE 2466CO 0.00 0.54 0.37 -0.62 0.00 0.00 0.00 174.94 175.23 2k3t s ASP 2467N 1.09 5.38 0.00 3.58 2.15 -0.49 -4.90 116.67 123.49 2k3t s ASP 2467Ca -0.00 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.48 2k3t s ASP 2467Cb -0.14 -0.89 0.00 0.00 -0.30 0.00 0.00 42.92 41.59 2k3t s ASP 2467CO -0.08 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2k3t n GLY 2468N -1.51 -0.56 0.18 2.66 0.00 -1.26 -0.46 105.19 104.24 2k3t n GLY 2468Ca 0.01 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.24 2k3t n GLY 2468CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3t h PRO 2469N 0.00 0.00 0.00 1.61 0.13 -1.89 -3.46 132.00 128.39 2k3t h PRO 2469Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2k3t h PRO 2469Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k3t h PRO 2469CO 0.00 0.00 0.04 0.43 -0.23 0.00 0.00 178.00 178.24 2k3t n SER 2470N -2.52 -0.39 -4.05 1.44 7.64 -1.26 -4.97 113.62 109.51 2k3t n SER 2470Ca 0.02 -1.30 -0.30 0.00 1.01 0.00 0.00 58.87 58.30 2k3t n SER 2470Cb 0.25 0.66 0.22 0.00 -1.01 0.00 0.00 64.21 64.33 2k3t n SER 2470CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k3t s LYS 2471N -2.04 -0.69 0.06 1.43 1.02 -1.26 -4.94 119.74 113.31 2k3t s LYS 2471Ca 0.03 0.03 0.04 0.00 0.02 0.00 0.00 55.97 56.09 2k3t s LYS 2471Cb -0.01 -1.65 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 2k3t s LYS 2471CO 0.02 -3.38 -0.12 0.14 -0.92 0.00 0.00 175.35 171.09 2k3t s VAL 2472N -3.07 0.94 -0.97 3.17 -7.23 -1.26 -4.31 120.40 107.66 2k3t s VAL 2472Ca 0.70 -1.15 -0.19 0.00 -1.81 0.00 0.00 61.98 59.52 2k3t s VAL 2472Cb -0.11 -0.92 0.12 0.00 0.56 0.00 0.00 36.38 36.03 2k3t s VAL 2472CO 0.56 -0.21 1.22 -0.54 -0.31 0.00 0.00 175.10 175.82 2k3t s LYS 2473N -1.53 3.64 0.23 4.82 1.02 -0.71 -4.91 119.74 122.29 2k3t s LYS 2473Ca -0.03 -1.69 -0.23 0.00 0.02 0.00 0.00 55.97 54.03 2k3t s LYS 2473Cb -0.09 -5.03 -0.09 0.00 -0.52 0.00 0.00 37.83 32.10 2k3t s LYS 2473CO 0.02 -1.87 0.81 1.41 -0.92 0.00 0.00 175.35 174.79 2k3t s MET 2474N 3.10 4.45 -0.25 1.68 1.75 -1.26 -1.84 119.30 126.94 2k3t s MET 2474Ca 0.36 1.10 -0.04 0.00 -1.25 0.00 0.00 55.69 55.86 2k3t s MET 2474Cb -0.04 -2.98 0.08 0.00 2.84 0.00 0.00 34.83 34.74 2k3t s MET 2474CO -0.09 0.42 0.11 0.34 -0.65 0.00 0.00 175.02 175.15 2k3t s ASP 2475N -1.48 3.15 0.16 1.11 2.15 0.23 -4.98 116.67 117.01 2k3t s ASP 2475Ca 0.43 -1.06 0.04 0.00 0.43 0.00 0.00 52.55 52.38 2k3t s ASP 2475Cb -0.19 -0.37 -0.04 0.00 -0.30 0.00 0.00 42.92 42.02 2k3t s ASP 2475CO 0.24 -0.40 0.23 0.00 -0.17 0.00 0.00 175.17 175.06 2k3t s GLN 2477N -3.22 0.91 -0.14 0.00 0.74 -0.33 -5.00 119.66 112.61 2k3t s GLN 2477Ca 0.33 0.47 -0.29 0.00 0.05 0.00 0.00 55.36 55.92 2k3t s GLN 2477Cb -0.11 0.43 -0.01 0.00 1.10 0.00 0.00 33.01 34.43 2k3t s GLN 2477CO 0.26 -0.23 1.12 -2.00 -0.55 0.00 0.00 175.29 173.89 2k3t s GLU 2478N -0.65 4.32 0.34 1.67 2.12 -1.26 -0.66 118.70 124.58 2k3t s GLU 2478Ca -0.06 1.51 0.08 0.00 0.36 0.00 0.00 54.97 56.86 2k3t s GLU 2478Cb -0.02 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.68 2k3t s GLU 2478CO 0.05 -0.52 -0.06 0.00 -0.54 0.00 0.00 175.26 174.20 2k3t h PRO 2480N 2.03 0.00 0.00 0.00 0.13 -2.02 -1.94 132.00 130.21 2k3t h PRO 2480Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k3t h PRO 2480Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k3t h PRO 2480CO 0.72 0.18 -0.19 1.49 -0.23 0.00 0.00 178.00 179.97 2k3t h GLU 2481N 0.00 0.00 0.00 0.86 4.81 -1.97 -3.48 114.58 114.79 2k3t h GLU 2481Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k3t h GLU 2481Cb 0.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2k3t h GLU 2481CO 0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 2k3t n GLY 2482N 1.23 0.98 3.65 1.92 0.00 -0.73 -2.55 105.19 109.69 2k3t n GLY 2482Ca 0.04 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 2k3t n GLY 2482CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k3t s TYR 2483N -2.75 2.30 -0.00 1.61 2.02 -1.06 -1.52 117.35 117.95 2k3t s TYR 2483Ca 0.00 0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 57.12 2k3t s TYR 2483Cb 0.00 -3.79 -0.05 0.00 -0.40 0.00 0.00 41.96 37.72 2k3t s TYR 2483CO 0.00 -2.94 0.34 0.50 -1.57 0.00 0.00 175.55 171.87 2k3t s ARG 2484N 3.96 3.74 -0.08 -0.62 3.52 0.17 -0.28 118.95 129.36 2k3t s ARG 2484Ca 0.66 0.19 -0.00 0.00 -0.13 0.00 0.00 55.73 56.45 2k3t s ARG 2484Cb -0.28 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 2k3t s ARG 2484CO 0.24 0.67 -0.04 0.08 -0.81 0.00 0.00 175.30 175.44 2k3t s VAL 2485N -1.17 0.70 0.00 7.11 1.01 0.13 -1.18 120.40 127.00 2k3t s VAL 2485Ca 0.25 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.14 2k3t s VAL 2485Cb -0.15 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2k3t s VAL 2485CO 0.13 0.30 -0.05 -0.89 0.00 0.00 0.00 175.10 174.60 2k3t s THR 2486N 1.63 3.79 -0.07 3.92 2.01 -0.63 -1.51 115.64 124.79 2k3t s THR 2486Ca 0.01 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 2k3t s THR 2486Cb -0.13 -2.66 0.03 0.00 0.01 0.00 0.00 72.50 69.75 2k3t s THR 2486CO -0.05 0.39 0.30 -0.72 -0.69 0.00 0.00 174.62 173.84 2k3t s TYR 2487N -1.02 -0.25 -0.27 4.92 1.13 -0.02 -0.60 117.35 121.23 2k3t s TYR 2487Ca 0.18 0.56 -0.07 0.00 -1.41 0.00 0.00 57.07 56.32 2k3t s TYR 2487Cb -0.11 0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.84 2k3t s TYR 2487CO 0.08 -0.25 0.08 0.99 -2.51 0.00 0.00 175.55 173.94 2k3t s THR 2488N -0.48 4.14 0.65 -3.49 2.01 -0.77 -0.71 115.64 117.00 2k3t s THR 2488Ca -0.06 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 2k3t s THR 2488Cb -0.04 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.43 2k3t s THR 2488CO 0.02 0.20 1.02 -2.16 -0.69 0.00 0.00 174.62 173.01 2k3t s PRO 2489N 1.56 3.10 0.00 4.92 0.04 -1.26 -1.74 135.00 141.62 2k3t s PRO 2489Ca 0.05 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2k3t s PRO 2489Cb -0.16 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2k3t s PRO 2489CO 0.03 -0.80 0.10 0.00 0.04 0.00 0.00 177.00 176.37 2k3t n MET 2490N -2.81 0.60 -3.85 4.56 0.00 -1.26 -1.43 117.12 112.93 2k3t n MET 2490Ca 0.06 -0.10 -0.12 0.00 0.00 0.00 0.00 57.70 57.54 2k3t n MET 2490Cb 0.56 -0.47 -0.11 0.00 0.00 0.00 0.00 33.22 33.20 2k3t n MET 2490CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k3t s ALA 2491N -0.11 -0.37 0.57 3.17 0.00 -1.26 -3.24 121.76 120.52 2k3t s ALA 2491Ca 0.00 0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.92 2k3t s ALA 2491Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2k3t s ALA 2491CO 0.00 -0.15 1.10 -1.25 0.00 0.00 0.00 175.76 175.45 2k3t s PRO 2492N -0.75 3.28 0.00 0.00 0.04 -1.26 -4.84 135.00 131.47 2k3t s PRO 2492Ca -0.08 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.41 2k3t s PRO 2492Cb -0.05 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2k3t s PRO 2492CO 0.01 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2k3t n GLY 2493N -0.25 0.67 3.58 0.56 0.00 -0.66 -4.85 105.19 104.24 2k3t n GLY 2493Ca 0.10 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2k3t n GLY 2493CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k3t s SER 2494N -4.00 6.47 -0.20 1.61 1.04 -1.26 -0.56 113.70 116.79 2k3t s SER 2494Ca 0.00 0.24 -0.22 0.00 0.48 0.00 0.00 55.95 56.45 2k3t s SER 2494Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 2k3t s SER 2494CO 0.00 -0.61 0.69 -0.31 0.98 0.00 0.00 173.24 174.00 2k3t s TYR 2495N 2.78 3.37 -0.52 5.02 1.51 -0.30 -4.24 117.35 124.97 2k3t s TYR 2495Ca 0.26 1.01 -0.19 0.00 -1.01 0.00 0.00 57.07 57.14 2k3t s TYR 2495Cb -0.14 -2.88 0.07 0.00 -0.11 0.00 0.00 41.96 38.90 2k3t s TYR 2495CO 0.15 -0.23 0.64 -1.17 -1.11 0.00 0.00 175.55 173.83 2k3t s LEU 2496N 2.12 5.04 -0.69 -1.29 2.96 0.40 -2.22 118.68 124.99 2k3t s LEU 2496Ca 0.31 -1.00 -0.21 0.00 -0.22 0.00 0.00 54.13 53.02 2k3t s LEU 2496Cb -0.16 -2.42 0.09 0.00 0.50 0.00 0.00 46.19 44.20 2k3t s LEU 2496CO 0.10 -0.93 0.92 -0.63 -1.32 0.00 0.00 176.35 174.49 2k3t s ILE 2497N 2.63 4.56 -1.23 6.68 1.01 0.32 -1.39 121.20 133.79 2k3t s ILE 2497Ca 0.14 -0.79 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 2k3t s ILE 2497Cb -0.20 -4.64 0.12 0.00 0.01 0.00 0.00 42.46 37.74 2k3t s ILE 2497CO 0.11 -1.37 1.55 -0.44 0.00 0.00 0.00 174.94 174.80 2k3t s SER 2498N 3.64 6.93 -0.35 3.58 0.01 0.44 -1.44 113.70 126.50 2k3t s SER 2498Ca 0.21 -2.65 -0.29 0.00 1.31 0.00 0.00 55.95 54.53 2k3t s SER 2498Cb -0.17 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.59 2k3t s SER 2498CO 0.05 -0.98 1.21 -0.63 0.41 0.00 0.00 173.24 173.30 2k3t s ILE 2499N 2.93 4.25 0.10 1.44 1.01 -1.26 -1.74 121.20 127.93 2k3t s ILE 2499Ca 0.47 1.39 0.10 0.00 0.00 0.00 0.00 60.65 62.61 2k3t s ILE 2499Cb 0.00 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2k3t s ILE 2499CO 0.03 -0.60 -0.25 -0.54 0.00 0.00 0.00 174.94 173.58 2k3t s LYS 2500N 4.12 1.39 -0.10 2.79 1.02 -1.26 -1.48 119.74 126.22 2k3t s LYS 2500Ca 0.52 -1.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.07 2k3t s LYS 2500Cb -0.13 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.48 2k3t s LYS 2500CO 0.23 0.42 0.51 -0.47 -0.92 0.00 0.00 175.35 175.12 2k3t s TYR 2501N -1.02 -0.49 -0.91 3.18 5.04 -0.87 -0.61 117.35 121.67 2k3t s TYR 2501Ca 0.11 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 2k3t s TYR 2501Cb -0.10 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.45 2k3t s TYR 2501CO 0.05 -0.41 0.00 0.41 -1.34 0.00 0.00 175.55 174.25 2k3t n GLY 2502N 1.79 1.01 0.00 8.97 0.00 -0.31 -4.50 105.19 112.15 2k3t n GLY 2502Ca -0.17 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2k3t n GLY 2502CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3t n GLY 2503N -1.38 0.86 0.67 -0.02 0.00 -1.26 -4.93 105.19 99.13 2k3t n GLY 2503Ca -0.09 -1.98 0.01 0.00 0.00 0.00 0.00 46.02 43.96 2k3t n GLY 2503CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3t n PRO 2504N 0.00 1.44 -4.59 1.61 -0.04 -1.26 -4.75 135.00 127.40 2k3t n PRO 2504Ca 0.00 -0.36 -0.34 0.00 -0.04 0.00 0.00 63.50 62.76 2k3t n PRO 2504Cb 0.00 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 31.78 2k3t n PRO 2504CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2k3t s TYR 2505N -1.18 2.97 0.47 0.54 2.02 -1.26 -4.98 117.35 115.93 2k3t s TYR 2505Ca 0.06 0.04 -0.24 0.00 -0.37 0.00 0.00 57.07 56.57 2k3t s TYR 2505Cb 0.05 -1.72 -0.07 0.00 -0.40 0.00 0.00 41.96 39.82 2k3t s TYR 2505CO 0.02 0.35 1.35 -1.01 -1.57 0.00 0.00 175.55 174.69 2k3t s HIS 2506N -0.82 2.51 0.99 2.71 3.76 -1.26 -2.04 115.29 121.15 2k3t s HIS 2506Ca 0.12 1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 56.24 2k3t s HIS 2506Cb -0.11 -3.78 0.19 0.00 1.11 0.00 0.00 32.58 29.99 2k3t s HIS 2506CO 0.02 -2.62 1.20 0.96 -0.85 0.00 0.00 174.74 173.45 2k3t s ILE 2507N -1.28 1.90 -0.04 0.60 -4.36 -0.55 -4.76 121.20 112.71 2k3t s ILE 2507Ca 0.64 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.72 2k3t s ILE 2507Cb -0.40 -2.79 -0.09 0.00 1.25 0.00 0.00 42.46 40.43 2k3t s ILE 2507CO 0.50 0.00 2.02 0.61 0.24 0.00 0.00 174.94 178.30 2k3t n GLY 2508N -2.52 1.62 0.97 6.27 0.00 -0.75 -1.82 105.19 108.96 2k3t n GLY 2508Ca 0.11 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.96 2k3t n GLY 2508CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3t n GLY 2509N 4.81 0.96 3.84 -0.02 0.00 -1.26 -4.40 105.19 109.12 2k3t n GLY 2509Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2k3t n GLY 2509CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3t s SER 2510N -2.65 6.24 0.51 1.61 0.01 -0.76 -4.29 113.70 114.37 2k3t s SER 2510Ca 0.00 1.60 -0.18 0.00 1.31 0.00 0.00 55.95 58.68 2k3t s SER 2510Cb 0.00 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.65 2k3t s SER 2510CO 0.00 -0.85 1.01 -2.16 0.41 0.00 0.00 173.24 171.64 2k3t s PRO 2511N -4.38 3.83 -0.19 12.44 0.04 -1.26 -4.85 135.00 140.62 2k3t s PRO 2511Ca 0.59 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 2k3t s PRO 2511Cb -0.12 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2k3t s PRO 2511CO 0.39 -0.38 0.21 -0.06 0.04 0.00 0.00 177.00 177.20 2k3t s PHE 2512N -2.36 3.41 -2.10 0.56 0.40 -0.52 -4.89 117.98 112.47 2k3t s PHE 2512Ca 0.62 0.43 0.14 0.00 -0.60 0.00 0.00 56.93 57.52 2k3t s PHE 2512Cb -0.12 -2.27 0.50 0.00 0.51 0.00 0.00 43.02 41.63 2k3t s PHE 2512CO 0.26 0.21 1.37 0.36 0.70 0.00 0.00 175.22 178.13 2k3t n LYS 2513N 3.75 1.67 0.00 0.44 2.85 -1.26 -0.52 118.16 125.09 2k3t n LYS 2513Ca -0.14 -1.03 0.00 0.00 -1.05 0.00 0.00 58.31 56.09 2k3t n LYS 2513Cb 0.52 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 2k3t n LYS 2513CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k3t n ALA 2514N 0.30 0.00 -2.72 0.58 0.00 -0.94 -3.63 120.51 114.10 2k3t n ALA 2514Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2k3t n ALA 2514Cb 0.27 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 2k3t n ALA 2514CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k3t s LYS 2515N 0.00 3.23 0.04 0.00 1.02 -0.67 -1.14 119.74 122.22 2k3t s LYS 2515Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.42 2k3t s LYS 2515Cb 0.00 -4.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 2k3t s LYS 2515CO 0.00 -1.40 0.14 0.14 -0.92 0.00 0.00 175.35 173.32 2k3t s VAL 2516N 3.40 5.03 0.00 3.17 -7.23 0.28 -3.85 120.40 121.19 2k3t s VAL 2516Ca 0.23 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 2k3t s VAL 2516Cb -0.16 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.38 2k3t s VAL 2516CO 0.15 0.21 0.00 0.35 -0.31 0.00 0.00 175.10 175.51 2k3t n THR 2517N 0.63 0.00 -0.32 5.32 -2.24 -0.59 -1.66 114.28 115.43 2k3t n THR 2517Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2k3t n THR 2517Cb 0.52 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2k3t n THR 2517CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3t n GLY 2518N 5.00 -3.04 3.78 3.38 0.00 -1.26 -1.37 105.19 111.67 2k3t n GLY 2518Ca 0.00 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 2k3t n GLY 2518CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3t s PRO 2519N -0.57 3.07 -0.23 1.61 0.04 -1.26 -4.55 135.00 133.11 2k3t s PRO 2519Ca 0.00 1.42 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 2k3t s PRO 2519Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2k3t s PRO 2519CO 0.00 -1.04 0.39 0.50 0.04 0.00 0.00 177.00 176.89 2k3t s ARG 2520N -3.83 4.11 0.03 4.56 3.52 -1.26 -4.42 118.95 121.64 2k3t s ARG 2520Ca 0.68 0.14 0.23 0.00 -0.13 0.00 0.00 55.73 56.65 2k3t s ARG 2520Cb -0.21 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.61 2k3t s ARG 2520CO 0.36 -0.15 1.01 1.28 -0.81 0.00 0.00 175.30 176.99 2k3t n LEU 2521N 4.87 0.64 0.00 -0.88 7.99 -1.20 -5.07 117.00 123.36 2k3t n LEU 2521Ca -0.08 -0.12 0.00 0.00 -0.01 0.00 0.00 56.01 55.80 2k3t n LEU 2521Cb 0.51 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.73 2k3t n LEU 2521CO 0.39 0.10 0.06 1.33 -1.51 0.00 0.00 177.39 177.76