#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 -1.39 0.84 4.61 0.00 -1.26 -5.19 121.76 119.37 2k3t s ALA -2 Ca 0.00 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 2k3t s ALA -2 Cb 0.00 0.86 0.09 0.00 0.00 0.00 0.00 23.12 24.07 2k3t s ALA -2 CO 0.00 -0.80 1.11 -1.64 0.00 0.00 0.00 175.76 174.43 2k3t s MET -1 N -3.79 1.76 0.82 0.00 -1.94 -1.26 -4.96 119.30 109.92 2k3t s MET -1 Ca 0.04 0.54 -0.10 0.00 -1.71 0.00 0.00 55.69 54.45 2k3t s MET -1 Cb -0.01 -1.89 0.09 0.00 2.01 0.00 0.00 34.83 35.02 2k3t s MET -1 CO -0.09 -1.83 1.10 0.20 -0.01 0.00 0.00 175.02 174.40 2k3t s GLY 2427N -3.92 1.67 -0.06 -0.03 0.00 -0.30 -4.97 107.32 99.71 2k3t s GLY 2427Ca 0.62 0.31 -0.18 0.00 0.00 0.00 0.00 44.72 45.47 2k3t s GLY 2427CO 0.54 0.69 0.51 0.99 0.00 0.00 0.00 173.10 175.83 2k3t s ASP 2428N -3.22 6.80 0.56 1.64 1.01 -1.26 -4.78 116.67 117.42 2k3t s ASP 2428Ca 0.63 0.96 0.26 0.00 0.71 0.00 0.00 52.55 55.11 2k3t s ASP 2428Cb -0.19 -2.31 1.49 0.00 1.01 0.00 0.00 42.92 42.92 2k3t s ASP 2428CO 0.57 0.08 2.02 -0.65 0.21 0.00 0.00 175.17 177.40 2k3t h PRO 2429N 6.07 0.00 0.00 8.23 0.11 -1.91 -1.00 132.00 143.50 2k3t h PRO 2429Ca -0.44 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.61 2k3t h PRO 2429Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k3t h PRO 2429CO 0.71 0.00 -0.27 0.78 -0.21 0.00 0.00 178.00 179.02 2k3t h GLY 2430N 0.00 0.00 1.18 -0.55 0.00 -1.94 -1.89 103.07 99.87 2k3t h GLY 2430Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.23 2k3t h GLY 2430CO -0.00 0.00 -1.57 1.41 0.00 0.00 0.00 176.54 176.38 2k3t h LEU 2431N 0.00 0.09 -9.61 3.11 -0.00 -1.63 -3.43 115.31 103.84 2k3t h LEU 2431Ca -0.00 -0.15 -0.52 0.00 -0.00 0.00 0.00 57.88 57.20 2k3t h LEU 2431Cb 1.06 -0.03 0.04 0.00 -0.00 0.00 0.00 40.66 41.73 2k3t h LEU 2431CO 0.03 1.13 0.86 -0.69 -0.00 0.00 0.00 178.44 179.78 2k3t s VAL 2432N -2.62 2.67 0.38 1.22 1.01 -0.49 -4.46 120.40 118.11 2k3t s VAL 2432Ca -0.06 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.45 2k3t s VAL 2432Cb 0.08 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2k3t s VAL 2432CO 0.82 0.04 0.05 -0.44 0.00 0.00 0.00 175.10 175.57 2k3t s SER 2433N 1.11 3.00 0.02 3.32 0.01 -1.15 -2.83 113.70 117.17 2k3t s SER 2433Ca 0.69 -1.46 0.04 0.00 1.31 0.00 0.00 55.95 56.53 2k3t s SER 2433Cb -0.43 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 2k3t s SER 2433CO 0.32 -0.66 -0.12 0.00 0.41 0.00 0.00 173.24 173.19 2k3t s ALA 2434N -3.10 0.97 -0.01 1.44 0.00 -1.26 -0.51 121.76 119.29 2k3t s ALA 2434Ca 0.30 -0.63 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 2k3t s ALA 2434Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2k3t s ALA 2434CO 0.14 0.20 0.13 0.71 0.00 0.00 0.00 175.76 176.94 2k3t s TYR 2435N -0.59 -0.00 0.00 0.00 2.02 -0.61 -4.99 117.35 113.18 2k3t s TYR 2435Ca 0.02 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 2k3t s TYR 2435Cb -0.06 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.47 2k3t s TYR 2435CO 0.00 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.16 2k3t n GLY 2436N 1.85 3.14 0.25 0.71 0.00 -1.26 -0.40 105.19 109.49 2k3t n GLY 2436Ca -0.20 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 43.92 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 1.73 0.00 4.61 0.00 -1.85 -2.79 119.26 120.95 2k3t h ALA 2437Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k3t h ALA 2437Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k3t h ALA 2437CO 0.00 0.10 0.00 0.78 0.00 0.00 0.00 179.25 180.13 2k3t h GLY 2438N 0.30 0.00 2.00 0.00 0.00 -1.22 -0.79 103.07 103.35 2k3t h GLY 2438Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2k3t h GLY 2438CO 0.01 0.00 -0.35 1.41 0.00 0.00 0.00 176.54 177.61 2k3t h LEU 2439N 0.00 0.00 0.00 3.11 3.38 -1.74 -3.27 115.31 116.78 2k3t h LEU 2439Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2k3t h LEU 2439Cb 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 2k3t h LEU 2439CO 0.00 0.35 -1.46 -0.33 0.09 0.00 0.00 178.44 177.09 2k3t h GLU 2440N 0.00 0.00 0.00 1.13 4.39 -1.34 -3.09 114.58 115.67 2k3t h GLU 2440Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k3t h GLU 2440Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2k3t h GLU 2440CO 0.05 0.42 0.00 0.41 -1.16 0.00 0.00 179.01 178.73 2k3t n GLY 2441N 1.45 0.45 0.00 -3.84 0.00 -0.94 -1.34 105.19 100.97 2k3t n GLY 2441Ca -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.16 3.70 -0.02 0.00 -1.19 -4.44 105.19 103.09 2k3t n GLY 2442Ca 0.00 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.00 4.50 0.51 1.61 1.01 -1.26 -1.74 120.40 121.02 2k3t s VAL 2443Ca 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 2k3t s VAL 2443Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2k3t s VAL 2443CO 0.00 0.60 1.37 0.35 0.00 0.00 0.00 175.10 177.41 2k3t n THR 2444N 2.22 3.39 0.00 3.92 -2.24 -0.67 -3.05 114.28 117.84 2k3t n THR 2444Ca -0.19 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2k3t n THR 2444Cb 0.54 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2k3t n THR 2444CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k3t n GLY 2445N 0.72 3.00 3.90 3.38 0.00 -0.23 -4.91 105.19 111.04 2k3t n GLY 2445Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.51 6.39 0.52 1.61 0.01 -1.17 -4.98 114.94 115.81 2k3t s ASN 2446Ca 0.00 0.41 -0.19 0.00 -0.71 0.00 0.00 52.86 52.37 2k3t s ASN 2446Cb 0.00 -2.03 -0.07 0.00 0.41 0.00 0.00 41.25 39.56 2k3t s ASN 2446CO 0.00 0.29 1.06 -2.16 -1.51 0.00 0.00 177.10 174.78 2k3t s PRO 2447N -1.71 3.59 0.09 -0.60 0.04 -1.26 -4.33 135.00 130.82 2k3t s PRO 2447Ca 0.25 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2k3t s PRO 2447Cb -0.13 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2k3t s PRO 2447CO 0.15 -0.61 -0.07 0.00 0.04 0.00 0.00 177.00 176.52 2k3t s ALA 2448N -2.07 0.94 0.05 8.56 0.00 -0.08 -4.99 121.76 124.17 2k3t s ALA 2448Ca 0.67 -1.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.23 2k3t s ALA 2448Cb -0.18 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2k3t s ALA 2448CO 0.26 -0.20 0.28 -1.83 0.00 0.00 0.00 175.76 174.26 2k3t s GLU 2449N -3.54 0.81 0.03 0.00 -1.05 -1.26 -0.99 118.70 112.70 2k3t s GLU 2449Ca 0.09 -0.58 -0.21 0.00 -0.15 0.00 0.00 54.97 54.12 2k3t s GLU 2449Cb 0.03 0.35 0.05 0.00 -0.44 0.00 0.00 34.13 34.11 2k3t s GLU 2449CO -0.04 -0.26 0.48 -0.59 0.95 0.00 0.00 175.26 175.80 2k3t s PHE 2450N -2.75 -0.38 -0.14 4.83 -0.71 -0.46 -0.88 117.98 117.49 2k3t s PHE 2450Ca -0.04 0.45 -0.04 0.00 -1.04 0.00 0.00 56.93 56.27 2k3t s PHE 2450Cb -0.00 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.06 2k3t s PHE 2450CO -0.05 -0.59 -0.01 0.54 -1.34 0.00 0.00 175.22 173.78 2k3t s VAL 2451N -2.17 4.18 -0.64 -2.49 0.11 0.47 -0.36 120.40 119.50 2k3t s VAL 2451Ca -0.07 -0.26 -0.24 0.00 -2.93 0.00 0.00 61.98 58.48 2k3t s VAL 2451Cb -0.01 -2.82 0.06 0.00 -1.53 0.00 0.00 36.38 32.07 2k3t s VAL 2451CO 0.00 0.51 1.00 -0.69 -3.33 0.00 0.00 175.10 172.59 2k3t s VAL 2452N 0.06 4.26 -0.43 2.04 1.01 0.58 -1.57 120.40 126.36 2k3t s VAL 2452Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 2k3t s VAL 2452Cb -0.13 -4.67 0.02 0.00 0.00 0.00 0.00 36.38 31.60 2k3t s VAL 2452CO 0.02 -1.42 1.14 0.21 0.00 0.00 0.00 175.10 175.06 2k3t s ASN 2453N 3.46 6.70 -0.01 3.32 3.84 0.34 -2.01 114.94 130.57 2k3t s ASN 2453Ca 0.26 0.67 0.20 0.00 0.21 0.00 0.00 52.86 54.20 2k3t s ASN 2453Cb -0.15 -2.55 -0.25 0.00 -0.55 0.00 0.00 41.25 37.75 2k3t s ASN 2453CO 0.13 -1.16 0.71 0.35 -2.79 0.00 0.00 177.10 174.34 2k3t n THR 2454N 6.58 0.00 0.27 -5.21 -2.24 -1.24 -2.93 114.28 109.50 2k3t n THR 2454Ca 0.12 -0.18 0.13 0.00 -2.27 0.00 0.00 64.05 61.85 2k3t n THR 2454Cb 0.48 0.66 0.75 0.00 -2.10 0.00 0.00 70.33 70.13 2k3t n THR 2454CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2k3t h SER 2455N 0.00 0.00 1.59 3.42 4.64 -1.80 0.14 113.55 121.54 2k3t h SER 2455Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3t h SER 2455Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2k3t h SER 2455CO 0.00 0.10 0.00 0.78 -0.87 0.00 0.00 176.83 176.84 2k3t h ASN 2456N 0.00 0.00 0.00 4.97 2.35 -1.85 -3.36 115.58 117.69 2k3t h ASN 2456Ca -0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2k3t h ASN 2456Cb 0.30 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 2k3t h ASN 2456CO 0.01 0.00 -1.98 0.00 -1.65 0.00 0.00 177.43 173.81 2k3t n ALA 2457N -2.00 1.65 0.00 -0.83 0.00 -0.15 -4.86 120.51 114.31 2k3t n ALA 2457Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2k3t n ALA 2457Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.19 0.90 3.15 0.00 0.00 -0.14 -4.10 105.19 107.20 2k3t n GLY 2458Ca -0.24 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.00 0.02 0.00 4.61 0.00 -1.26 -4.53 121.76 118.59 2k3t s ALA 2459Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2k3t s ALA 2459Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.49 2k3t s ALA 2459CO 0.00 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2k3t n GLY 2460N 0.17 1.51 3.75 0.00 0.00 -1.26 -1.15 105.19 108.21 2k3t n GLY 2460Ca -0.16 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 2k3t n GLY 2460CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3t s ALA 2461N -2.00 3.38 0.03 4.61 0.00 -1.26 -4.91 121.76 121.61 2k3t s ALA 2461Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.87 2k3t s ALA 2461Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2k3t s ALA 2461CO 0.00 -0.13 -0.26 -1.17 0.00 0.00 0.00 175.76 174.20 2k3t s LEU 2462N -0.95 2.15 0.22 0.00 2.96 -1.26 -1.07 118.68 120.73 2k3t s LEU 2462Ca 0.46 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2k3t s LEU 2462Cb -0.30 -1.31 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 2k3t s LEU 2462CO 0.37 0.28 -0.08 -0.55 -1.32 0.00 0.00 176.35 175.05 2k3t s SER 2463N -1.06 2.30 -0.28 3.68 0.15 0.28 -5.01 113.70 113.76 2k3t s SER 2463Ca 0.11 -1.12 -0.19 0.00 0.70 0.00 0.00 55.95 55.46 2k3t s SER 2463Cb -0.10 -0.09 0.09 0.00 -1.71 0.00 0.00 66.02 64.22 2k3t s SER 2463CO 0.01 -0.33 0.77 0.54 1.20 0.00 0.00 173.24 175.43 2k3t s VAL 2464N -3.16 0.00 -0.01 4.45 0.11 -1.26 -1.55 120.40 118.98 2k3t s VAL 2464Ca 0.25 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 2k3t s VAL 2464Cb 0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2k3t s VAL 2464CO 0.08 0.00 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.88 2k3t s THR 2465N 1.19 0.62 -0.23 5.04 2.01 -0.77 -5.02 115.64 118.49 2k3t s THR 2465Ca -0.07 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.64 2k3t s THR 2465Cb -0.05 -0.53 0.04 0.00 0.01 0.00 0.00 72.50 71.97 2k3t s THR 2465CO -0.13 0.18 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.21 2k3t s ILE 2466N -0.05 2.26 0.36 1.82 1.01 -1.26 -0.63 121.20 124.71 2k3t s ILE 2466Ca 0.01 -1.25 0.06 0.00 0.00 0.00 0.00 60.65 59.47 2k3t s ILE 2466Cb -0.04 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 2k3t s ILE 2466CO -0.00 0.24 0.50 -0.62 0.00 0.00 0.00 174.94 175.06 2k3t s ASP 2467N 1.22 5.93 0.00 3.58 2.15 -0.44 -4.75 116.67 124.36 2k3t s ASP 2467Ca -0.02 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2k3t s ASP 2467Cb -0.17 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 2k3t s ASP 2467CO -0.08 -0.49 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 2k3t n GLY 2468N -1.71 -0.67 0.18 2.66 0.00 -1.26 -0.62 105.19 103.77 2k3t n GLY 2468Ca 0.01 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.71 1.61 0.13 -1.88 -3.45 132.00 124.71 2k3t h PRO 2469Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2k3t h PRO 2469Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 2k3t h PRO 2469CO 0.00 0.00 -0.07 -1.12 -0.23 0.00 0.00 178.00 176.58 2k3t s SER 2470N -4.60 0.33 0.91 1.44 0.01 -1.26 -4.96 113.70 105.57 2k3t s SER 2470Ca 0.02 -1.19 -0.11 0.00 1.31 0.00 0.00 55.95 55.98 2k3t s SER 2470Cb 0.09 0.67 0.14 0.00 0.21 0.00 0.00 66.02 67.13 2k3t s SER 2470CO 0.40 -1.31 1.09 -0.54 0.41 0.00 0.00 173.24 173.29 2k3t s LYS 2471N -3.30 1.09 0.16 12.44 1.02 -1.26 -4.93 119.74 124.96 2k3t s LYS 2471Ca 0.24 0.94 0.10 0.00 0.02 0.00 0.00 55.97 57.27 2k3t s LYS 2471Cb -0.02 -1.78 -0.04 0.00 -0.52 0.00 0.00 37.83 35.47 2k3t s LYS 2471CO 0.14 -2.39 -0.21 0.14 -0.92 0.00 0.00 175.35 172.11 2k3t s VAL 2472N -2.85 2.00 -0.13 3.17 -7.23 -1.26 -4.58 120.40 109.53 2k3t s VAL 2472Ca 0.64 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 2k3t s VAL 2472Cb -0.19 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 2k3t s VAL 2472CO 0.58 -0.18 0.49 -0.75 -0.31 0.00 0.00 175.10 174.93 2k3t s LYS 2473N -2.56 4.32 0.12 4.82 2.20 -1.17 -4.97 119.74 122.50 2k3t s LYS 2473Ca 0.16 0.46 0.10 0.00 -0.36 0.00 0.00 55.97 56.33 2k3t s LYS 2473Cb -0.07 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 2k3t s LYS 2473CO 0.07 0.11 -0.26 -1.64 -0.36 0.00 0.00 175.35 173.27 2k3t s MET 2474N 0.78 1.37 -0.41 4.03 -1.94 -1.26 -1.21 119.30 120.66 2k3t s MET 2474Ca 0.26 -1.29 0.03 0.00 -1.71 0.00 0.00 55.69 52.98 2k3t s MET 2474Cb -0.15 -1.80 0.16 0.00 2.01 0.00 0.00 34.83 35.04 2k3t s MET 2474CO 0.10 0.43 0.31 0.34 -0.01 0.00 0.00 175.02 176.19 2k3t s ASP 2475N -1.96 2.07 0.11 3.03 2.15 0.25 -4.99 116.67 117.33 2k3t s ASP 2475Ca 0.12 -2.84 -0.30 0.00 0.43 0.00 0.00 52.55 49.96 2k3t s ASP 2475Cb -0.10 -0.50 -0.06 0.00 -0.30 0.00 0.00 42.92 41.96 2k3t s ASP 2475CO 0.05 -0.21 1.06 0.00 -0.17 0.00 0.00 175.17 175.91 2k3t s GLN 2477N 0.21 1.82 0.00 0.00 -0.21 0.50 -5.01 119.66 116.98 2k3t s GLN 2477Ca 0.51 -2.07 -0.05 0.00 0.02 0.00 0.00 55.36 53.76 2k3t s GLN 2477Cb -0.26 0.22 -0.00 0.00 1.00 0.00 0.00 33.01 33.96 2k3t s GLN 2477CO 0.31 -0.65 0.10 -1.83 -2.12 0.00 0.00 175.29 171.10 2k3t s GLU 2478N -3.43 0.42 0.32 2.91 1.03 -1.26 -1.25 118.70 117.44 2k3t s GLU 2478Ca 0.39 -0.40 -0.15 0.00 0.03 0.00 0.00 54.97 54.83 2k3t s GLU 2478Cb 0.02 0.17 0.03 0.00 -0.80 0.00 0.00 34.13 33.55 2k3t s GLU 2478CO 0.27 -0.09 0.67 0.00 -1.33 0.00 0.00 175.26 174.77 2k3t h PRO 2480N 2.06 0.00 0.00 0.00 0.11 -2.04 -1.87 132.00 130.27 2k3t h PRO 2480Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2k3t h PRO 2480Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k3t h PRO 2480CO 0.34 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.62 2k3t h GLU 2481N 0.00 0.00 0.00 1.05 4.57 -1.97 -3.45 114.58 114.77 2k3t h GLU 2481Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2k3t h GLU 2481Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2k3t h GLU 2481CO -0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 2k3t n GLY 2482N 1.18 0.76 3.60 1.92 0.00 -0.70 -3.71 105.19 108.24 2k3t n GLY 2482Ca 0.05 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.89 3.13 -0.25 1.61 2.02 -0.85 -1.36 117.35 118.75 2k3t s TYR 2483Ca 0.00 0.74 -0.15 0.00 -0.37 0.00 0.00 57.07 57.29 2k3t s TYR 2483Cb 0.00 -3.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.06 2k3t s TYR 2483CO 0.00 -0.72 0.35 0.50 -1.57 0.00 0.00 175.55 174.11 2k3t s ARG 2484N 3.23 4.06 -0.22 -0.62 3.52 -0.38 -0.30 118.95 128.23 2k3t s ARG 2484Ca 0.35 0.04 -0.08 0.00 -0.13 0.00 0.00 55.73 55.90 2k3t s ARG 2484Cb -0.13 -3.62 -0.04 0.00 -1.56 0.00 0.00 34.95 29.60 2k3t s ARG 2484CO 0.16 -0.18 0.10 0.08 -0.81 0.00 0.00 175.30 174.65 2k3t s VAL 2485N 1.78 4.87 -0.07 7.11 1.01 0.51 -0.37 120.40 135.24 2k3t s VAL 2485Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2k3t s VAL 2485Cb -0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 2k3t s VAL 2485CO 0.09 0.39 -0.09 -0.89 0.00 0.00 0.00 175.10 174.59 2k3t s THR 2486N 0.93 3.49 0.04 3.92 2.01 -1.03 -1.35 115.64 123.65 2k3t s THR 2486Ca 0.05 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 2k3t s THR 2486Cb -0.14 -2.41 0.03 0.00 0.01 0.00 0.00 72.50 69.99 2k3t s THR 2486CO 0.03 0.59 0.34 -0.72 -0.69 0.00 0.00 174.62 174.17 2k3t s TYR 2487N -0.73 -0.16 -0.23 4.92 1.13 -0.16 -0.58 117.35 121.55 2k3t s TYR 2487Ca 0.11 0.05 0.01 0.00 -1.41 0.00 0.00 57.07 55.83 2k3t s TYR 2487Cb -0.11 0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.92 2k3t s TYR 2487CO 0.01 -0.53 -0.13 0.99 -2.51 0.00 0.00 175.55 173.39 2k3t s THR 2488N -2.53 2.37 0.65 -3.49 2.01 -0.35 -0.90 115.64 113.42 2k3t s THR 2488Ca -0.05 -1.17 -0.10 0.00 0.31 0.00 0.00 61.69 60.68 2k3t s THR 2488Cb -0.01 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.31 2k3t s THR 2488CO -0.03 0.26 1.03 -2.16 -0.69 0.00 0.00 174.62 173.03 2k3t s PRO 2489N 1.25 3.10 0.00 4.92 0.04 -1.26 -3.02 135.00 140.02 2k3t s PRO 2489Ca -0.01 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2k3t s PRO 2489Cb -0.16 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2k3t s PRO 2489CO -0.08 -0.82 0.18 0.00 0.04 0.00 0.00 177.00 176.32 2k3t n MET 2490N -2.84 0.00 -3.83 4.56 0.00 -1.26 -1.07 117.12 112.68 2k3t n MET 2490Ca 0.06 -0.18 -0.12 0.00 0.00 0.00 0.00 57.70 57.46 2k3t n MET 2490Cb 0.56 -0.42 -0.10 0.00 0.00 0.00 0.00 33.22 33.26 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 0.00 -0.47 0.41 3.17 0.00 -1.26 -1.26 121.76 122.35 2k3t s ALA 2491Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.81 2k3t s ALA 2491Cb 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 23.12 23.07 2k3t s ALA 2491CO 0.00 -0.20 1.12 -1.25 0.00 0.00 0.00 175.76 175.43 2k3t s PRO 2492N -1.13 4.03 0.00 0.00 0.04 -1.26 -4.80 135.00 131.87 2k3t s PRO 2492Ca -0.12 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2k3t s PRO 2492Cb -0.06 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2k3t s PRO 2492CO 0.02 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2k3t n GLY 2493N 0.48 0.88 3.60 0.56 0.00 -0.47 -4.81 105.19 105.43 2k3t n GLY 2493Ca 0.05 -1.97 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 2k3t n GLY 2493CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3t s SER 2494N -4.00 6.09 -0.20 1.61 0.01 -1.26 -0.43 113.70 115.52 2k3t s SER 2494Ca 0.00 0.08 -0.17 0.00 1.31 0.00 0.00 55.95 57.17 2k3t s SER 2494Cb 0.00 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2k3t s SER 2494CO 0.00 -0.08 0.46 -0.31 0.41 0.00 0.00 173.24 173.71 2k3t s TYR 2495N 1.83 3.38 -0.40 2.43 1.51 -0.16 -4.23 117.35 121.71 2k3t s TYR 2495Ca 0.09 0.70 -0.17 0.00 -1.01 0.00 0.00 57.07 56.68 2k3t s TYR 2495Cb -0.16 -2.59 0.01 0.00 -0.11 0.00 0.00 41.96 39.11 2k3t s TYR 2495CO 0.11 -0.05 0.43 -1.17 -1.11 0.00 0.00 175.55 173.76 2k3t s LEU 2496N 1.43 4.75 -0.52 -1.29 2.96 0.21 -2.06 118.68 124.16 2k3t s LEU 2496Ca 0.22 -0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 53.41 2k3t s LEU 2496Cb -0.15 -2.39 0.10 0.00 0.50 0.00 0.00 46.19 44.25 2k3t s LEU 2496CO 0.09 -0.53 0.51 -0.63 -1.32 0.00 0.00 176.35 174.47 2k3t s ILE 2497N 2.13 5.13 -0.66 6.68 1.01 0.25 -1.32 121.20 134.41 2k3t s ILE 2497Ca 0.12 -1.20 -0.20 0.00 0.00 0.00 0.00 60.65 59.38 2k3t s ILE 2497Cb -0.17 -4.29 0.10 0.00 0.01 0.00 0.00 42.46 38.11 2k3t s ILE 2497CO 0.13 -0.81 0.82 -0.44 0.00 0.00 0.00 174.94 174.64 2k3t s SER 2498N 3.21 6.26 -0.26 3.58 0.01 0.20 -1.63 113.70 125.07 2k3t s SER 2498Ca 0.06 -1.46 -0.15 0.00 1.31 0.00 0.00 55.95 55.71 2k3t s SER 2498Cb -0.26 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 2k3t s SER 2498CO 0.05 -1.16 0.35 -0.63 0.41 0.00 0.00 173.24 172.26 2k3t s ILE 2499N 2.90 5.19 -0.05 1.44 1.01 -1.26 -1.85 121.20 128.58 2k3t s ILE 2499Ca 0.17 0.54 0.01 0.00 0.00 0.00 0.00 60.65 61.36 2k3t s ILE 2499Cb -0.19 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.62 2k3t s ILE 2499CO 0.05 0.18 -0.04 -0.54 0.00 0.00 0.00 174.94 174.58 2k3t s LYS 2500N 1.96 0.86 0.10 2.79 1.02 -0.59 -2.03 119.74 123.86 2k3t s LYS 2500Ca 0.14 -0.09 0.07 0.00 0.02 0.00 0.00 55.97 56.11 2k3t s LYS 2500Cb -0.16 -0.92 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 2k3t s LYS 2500CO 0.10 -0.12 -0.17 -0.47 -0.92 0.00 0.00 175.35 173.77 2k3t s TYR 2501N 1.09 1.49 -1.68 3.18 5.04 -0.76 -0.55 117.35 125.17 2k3t s TYR 2501Ca -0.08 -0.47 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 2k3t s TYR 2501Cb -0.14 -0.81 0.00 0.00 0.35 0.00 0.00 41.96 41.36 2k3t s TYR 2501CO -0.01 0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.76 2k3t n GLY 2502N 0.95 1.60 0.00 8.97 0.00 -0.23 -4.29 105.19 112.20 2k3t n GLY 2502Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.03 0.54 1.21 -0.02 0.00 -1.26 -4.91 105.19 99.71 2k3t n GLY 2503Ca -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.66 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 1.14 -4.78 1.61 -0.04 -1.26 -4.83 135.00 126.84 2k3t n PRO 2504Ca 0.00 -0.32 -0.33 0.00 -0.04 0.00 0.00 63.50 62.81 2k3t n PRO 2504Cb 0.00 -1.13 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.36 2.81 0.38 0.54 2.02 -1.26 -4.98 117.35 116.50 2k3t s TYR 2505Ca 0.06 -0.56 -0.28 0.00 -0.37 0.00 0.00 57.07 55.93 2k3t s TYR 2505Cb 0.05 -1.82 -0.11 0.00 -0.40 0.00 0.00 41.96 39.69 2k3t s TYR 2505CO 0.01 -0.14 1.48 -1.01 -1.57 0.00 0.00 175.55 174.32 2k3t s HIS 2506N 0.19 2.59 0.55 2.71 3.76 -1.26 -1.82 115.29 121.99 2k3t s HIS 2506Ca -0.07 1.17 -0.07 0.00 -0.15 0.00 0.00 55.06 55.93 2k3t s HIS 2506Cb -0.15 -4.02 -0.03 0.00 1.11 0.00 0.00 32.58 29.49 2k3t s HIS 2506CO 0.05 -2.98 0.89 0.96 -0.85 0.00 0.00 174.74 172.81 2k3t s ILE 2507N -1.12 4.68 0.00 0.60 -5.25 -0.86 -4.80 121.20 114.44 2k3t s ILE 2507Ca 0.53 0.42 0.00 0.00 -0.99 0.00 0.00 60.65 60.61 2k3t s ILE 2507Cb -0.46 -3.82 0.00 0.00 2.95 0.00 0.00 42.46 41.13 2k3t s ILE 2507CO 0.63 -0.91 0.00 0.61 -1.79 0.00 0.00 174.94 173.48 2k3t n GLY 2508N -2.48 1.76 1.30 6.27 0.00 -0.71 -0.58 105.19 110.74 2k3t n GLY 2508Ca 0.03 0.54 0.08 0.00 0.00 0.00 0.00 46.02 46.68 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 0.00 3.10 3.77 -0.02 0.00 -1.26 -5.02 105.19 105.76 2k3t n GLY 2509Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 2k3t n GLY 2509CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3t s SER 2510N -1.16 5.98 0.55 1.61 0.15 0.25 -4.44 113.70 116.65 2k3t s SER 2510Ca 0.45 2.40 -0.15 0.00 0.70 0.00 0.00 55.95 59.35 2k3t s SER 2510Cb 0.31 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.94 2k3t s SER 2510CO 0.18 -1.05 1.00 -2.16 1.20 0.00 0.00 173.24 172.41 2k3t s PRO 2511N -2.74 3.79 -0.12 5.44 0.04 -1.26 -4.75 135.00 135.40 2k3t s PRO 2511Ca 0.65 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 2k3t s PRO 2511Cb -0.31 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2k3t s PRO 2511CO 0.37 -0.40 0.02 -0.06 0.04 0.00 0.00 177.00 176.97 2k3t s PHE 2512N -2.79 3.18 -1.74 0.56 0.08 -0.64 -4.91 117.98 111.73 2k3t s PHE 2512Ca 0.58 0.10 0.15 0.00 0.12 0.00 0.00 56.93 57.89 2k3t s PHE 2512Cb -0.11 -1.89 0.49 0.00 -0.57 0.00 0.00 43.02 40.94 2k3t s PHE 2512CO 0.39 0.33 1.39 0.36 -0.10 0.00 0.00 175.22 177.59 2k3t n LYS 2513N 2.66 2.50 0.00 0.44 2.85 -1.26 -0.58 118.16 124.77 2k3t n LYS 2513Ca -0.18 -1.97 0.00 0.00 -1.05 0.00 0.00 58.31 55.11 2k3t n LYS 2513Cb 0.53 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.39 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 0.95 0.00 -2.63 0.58 0.00 -0.87 -3.57 120.51 114.97 2k3t n ALA 2514Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 2k3t n ALA 2514Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 4.12 -0.01 0.00 1.02 -0.45 -0.98 119.74 123.43 2k3t s LYS 2515Ca 0.00 0.60 0.04 0.00 0.02 0.00 0.00 55.97 56.63 2k3t s LYS 2515Cb 0.00 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 2k3t s LYS 2515CO 0.00 -0.43 -0.12 0.08 -0.92 0.00 0.00 175.35 173.96 2k3t s VAL 2516N 2.55 3.26 0.35 3.17 1.01 0.43 -3.17 120.40 127.99 2k3t s VAL 2516Ca 0.27 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2k3t s VAL 2516Cb -0.15 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2k3t s VAL 2516CO 0.08 0.47 0.07 0.42 0.00 0.00 0.00 175.10 176.14 2k3t s THR 2517N -0.87 1.10 0.00 3.92 -4.23 -0.71 -1.37 115.64 113.47 2k3t s THR 2517Ca 0.14 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 2k3t s THR 2517Cb -0.11 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.04 2k3t s THR 2517CO 0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2k3t n GLY 2518N -0.76 -1.54 3.78 3.99 0.00 -1.26 -1.68 105.19 107.72 2k3t n GLY 2518Ca -0.04 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.37 2.82 -0.20 1.61 0.04 -1.26 -4.29 135.00 133.34 2k3t s PRO 2519Ca 0.00 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.10 2k3t s PRO 2519Cb 0.00 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2k3t s PRO 2519CO 0.00 -1.22 0.68 0.50 0.04 0.00 0.00 177.00 177.00 2k3t s ARG 2520N -4.30 4.21 0.10 4.56 3.52 -1.26 -4.50 118.95 121.28 2k3t s ARG 2520Ca 0.65 0.70 0.13 0.00 -0.13 0.00 0.00 55.73 57.08 2k3t s ARG 2520Cb -0.19 -3.59 -0.13 0.00 -1.56 0.00 0.00 34.95 29.49 2k3t s ARG 2520CO 0.44 -0.29 1.02 -0.07 -0.81 0.00 0.00 175.30 175.59 2k3t h LEU 2521N 8.36 0.00 0.00 -0.88 -0.00 -1.59 -3.49 115.31 117.71 2k3t h LEU 2521Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2k3t h LEU 2521Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2k3t h LEU 2521CO 0.79 0.74 0.00 0.55 -0.00 0.00 0.00 178.44 180.52