#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 2.17 -1.10 4.61 0.00 -1.26 -5.00 121.76 121.18 2k3t s ALA -2 Ca 0.00 -0.14 0.26 0.00 0.00 0.00 0.00 51.96 52.09 2k3t s ALA -2 Cb 0.00 -3.13 0.73 0.00 0.00 0.00 0.00 23.12 20.72 2k3t s ALA -2 CO 0.00 -1.79 1.57 -1.33 0.00 0.00 0.00 175.76 174.21 2k3t n MET -1 N -3.49 0.11 0.00 0.00 2.81 -1.26 -4.20 117.12 111.09 2k3t n MET -1 Ca 0.07 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 2k3t n MET -1 Cb 0.56 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.57 2k3t n MET -1 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3t n GLY 2427N 1.47 -2.28 2.97 3.03 0.00 -0.97 -4.28 105.19 105.13 2k3t n GLY 2427Ca 0.07 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 2k3t n GLY 2427CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k3t s ASP 2428N -3.95 -0.12 0.52 1.61 1.01 -1.26 -4.94 116.67 109.54 2k3t s ASP 2428Ca 0.00 0.27 0.30 0.00 0.71 0.00 0.00 52.55 53.84 2k3t s ASP 2428Cb 0.00 0.23 1.37 0.00 1.01 0.00 0.00 42.92 45.53 2k3t s ASP 2428CO 0.00 -0.09 2.00 1.55 0.21 0.00 0.00 175.17 178.84 2k3t h PRO 2429N 6.51 0.00 0.00 8.23 0.13 -1.90 -1.14 132.00 143.83 2k3t h PRO 2429Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 2k3t h PRO 2429Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2k3t h PRO 2429CO 0.43 0.10 -0.26 0.78 -0.23 0.00 0.00 178.00 178.82 2k3t h GLY 2430N 1.49 0.00 0.98 1.56 0.00 -1.94 -2.61 103.07 102.55 2k3t h GLY 2430Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2k3t h GLY 2430CO 0.01 0.00 -1.72 1.41 0.00 0.00 0.00 176.54 176.24 2k3t h LEU 2431N 0.00 0.29 -9.89 3.11 -0.00 -1.74 -3.44 115.31 103.64 2k3t h LEU 2431Ca -0.00 -0.52 -0.53 0.00 -0.00 0.00 0.00 57.88 56.83 2k3t h LEU 2431Cb 1.04 -0.09 0.08 0.00 -0.00 0.00 0.00 40.66 41.68 2k3t h LEU 2431CO 0.03 1.45 0.69 -0.69 -0.00 0.00 0.00 178.44 179.92 2k3t s VAL 2432N -2.59 2.52 0.26 1.22 1.01 -0.50 -4.49 120.40 117.83 2k3t s VAL 2432Ca -0.12 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2k3t s VAL 2432Cb 0.07 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2k3t s VAL 2432CO 0.82 0.12 0.10 -0.24 0.00 0.00 0.00 175.10 175.90 2k3t n SER 2433N 0.82 1.00 -3.87 3.32 2.88 -1.00 -3.34 113.62 113.42 2k3t n SER 2433Ca 0.01 -2.42 -0.11 0.00 -1.33 0.00 0.00 58.87 55.02 2k3t n SER 2433Cb 0.41 0.71 -0.12 0.00 -0.75 0.00 0.00 64.21 64.45 2k3t n SER 2433CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3t s ALA 2434N -2.73 -0.14 0.05 -1.46 0.00 -1.26 -0.76 121.76 115.46 2k3t s ALA 2434Ca 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.06 2k3t s ALA 2434Cb 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2k3t s ALA 2434CO 0.10 -0.08 0.09 0.71 0.00 0.00 0.00 175.76 176.58 2k3t s TYR 2435N -0.43 0.27 0.00 0.00 2.02 -0.59 -4.97 117.35 113.65 2k3t s TYR 2435Ca -0.05 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.98 2k3t s TYR 2435Cb -0.03 -0.18 0.00 0.00 -0.40 0.00 0.00 41.96 41.35 2k3t s TYR 2435CO 0.00 -0.42 0.00 0.41 -1.57 0.00 0.00 175.55 173.98 2k3t n GLY 2436N 0.38 2.65 0.25 0.71 0.00 -1.26 -0.43 105.19 107.49 2k3t n GLY 2436Ca -0.17 -1.93 0.10 0.00 0.00 0.00 0.00 46.02 44.02 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 1.57 0.00 4.61 0.00 -1.89 -3.04 119.26 120.51 2k3t h ALA 2437Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 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 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2k3t n GLY 2438N -1.03 -1.09 0.23 0.00 0.00 -0.08 -1.20 105.19 102.02 2k3t n GLY 2438Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.99 3.38 -1.79 -3.23 115.31 114.66 2k3t h LEU 2439Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k3t h LEU 2439Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k3t h LEU 2439CO 0.00 0.17 -1.20 -0.62 0.09 0.00 0.00 178.44 176.87 2k3t n GLU 2440N -3.29 0.41 0.00 1.13 1.02 -0.34 -3.19 120.64 116.37 2k3t n GLU 2440Ca 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2k3t n GLU 2440Cb 0.42 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 2k3t n GLU 2440CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k3t n GLY 2441N 1.31 0.94 0.00 0.62 0.00 -1.20 -1.90 105.19 104.96 2k3t n GLY 2441Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.04 3.50 -0.02 0.00 -1.15 -4.52 105.19 102.96 2k3t n GLY 2442Ca 0.00 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 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 3.24 0.44 1.61 1.01 -1.26 -1.44 120.40 120.01 2k3t s VAL 2443Ca 0.00 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 2k3t s VAL 2443Cb 0.00 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 34.00 2k3t s VAL 2443CO 0.00 0.59 1.40 0.42 0.00 0.00 0.00 175.10 177.51 2k3t s THR 2444N -0.66 2.19 0.00 3.92 -4.23 -0.73 -2.79 115.64 113.33 2k3t s THR 2444Ca 0.10 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 2k3t s THR 2444Cb -0.11 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.63 2k3t s THR 2444CO 0.01 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2k3t n GLY 2445N 0.60 2.85 3.87 3.99 0.00 -0.47 -4.88 105.19 111.15 2k3t n GLY 2445Ca 0.05 0.00 -0.32 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 -3.72 6.12 0.06 1.61 0.01 -1.12 -5.00 114.94 112.90 2k3t s ASN 2446Ca 0.00 0.22 -0.31 0.00 -0.71 0.00 0.00 52.86 52.07 2k3t s ASN 2446Cb 0.00 -1.84 -0.06 0.00 0.41 0.00 0.00 41.25 39.76 2k3t s ASN 2446CO 0.00 0.21 1.22 -2.16 -1.51 0.00 0.00 177.10 174.85 2k3t s PRO 2447N -2.24 4.42 -0.32 -0.60 0.04 -1.26 -4.35 135.00 130.70 2k3t s PRO 2447Ca 0.30 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 63.03 2k3t s PRO 2447Cb -0.13 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2k3t s PRO 2447CO 0.23 -0.28 0.19 0.00 0.04 0.00 0.00 177.00 177.18 2k3t s ALA 2448N 1.09 3.41 -0.12 8.56 0.00 0.18 -4.94 121.76 129.94 2k3t s ALA 2448Ca 0.59 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 2k3t s ALA 2448Cb -0.30 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 2k3t s ALA 2448CO 0.29 -0.86 -0.09 -2.00 0.00 0.00 0.00 175.76 173.10 2k3t s GLU 2449N 1.68 3.27 0.21 0.00 2.12 -1.26 -1.40 118.70 123.32 2k3t s GLU 2449Ca 0.06 -0.61 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 2k3t s GLU 2449Cb -0.17 -2.68 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 2k3t s GLU 2449CO 0.09 0.35 0.33 -0.59 -0.54 0.00 0.00 175.26 174.90 2k3t s PHE 2450N 0.03 0.57 -0.03 5.30 -0.71 -0.43 -0.90 117.98 121.81 2k3t s PHE 2450Ca -0.03 -0.90 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 2k3t s PHE 2450Cb -0.14 -0.07 -0.01 0.00 -1.21 0.00 0.00 43.02 41.59 2k3t s PHE 2450CO 0.04 -0.82 -0.16 0.54 -1.34 0.00 0.00 175.22 173.47 2k3t s VAL 2451N -4.04 1.33 -0.57 -2.49 0.11 0.42 -0.32 120.40 114.85 2k3t s VAL 2451Ca 0.25 -0.68 -0.22 0.00 -2.93 0.00 0.00 61.98 58.40 2k3t s VAL 2451Cb 0.02 -1.14 0.06 0.00 -1.53 0.00 0.00 36.38 33.80 2k3t s VAL 2451CO 0.07 0.38 0.85 -0.69 -3.33 0.00 0.00 175.10 172.38 2k3t s VAL 2452N -0.09 4.53 -0.26 2.04 1.01 0.37 -1.54 120.40 126.47 2k3t s VAL 2452Ca -0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2k3t s VAL 2452Cb -0.10 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 2k3t s VAL 2452CO 0.01 -1.12 0.56 0.21 0.00 0.00 0.00 175.10 174.76 2k3t s ASN 2453N 3.07 6.49 0.00 3.32 3.84 0.06 -1.61 114.94 130.12 2k3t s ASN 2453Ca 0.23 0.60 0.19 0.00 0.21 0.00 0.00 52.86 54.08 2k3t s ASN 2453Cb -0.16 -2.30 0.25 0.00 -0.55 0.00 0.00 41.25 38.48 2k3t s ASN 2453CO 0.14 -0.31 1.19 0.35 -2.79 0.00 0.00 177.10 175.67 2k3t n THR 2454N 5.15 0.26 0.17 -5.21 -2.24 -1.25 -2.38 114.28 108.77 2k3t n THR 2454Ca -0.03 -0.63 0.16 0.00 -2.27 0.00 0.00 64.05 61.28 2k3t n THR 2454Cb 0.49 1.16 0.76 0.00 -2.10 0.00 0.00 70.33 70.65 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 3.64 0.00 0.51 3.42 0.02 -1.88 0.19 113.55 119.46 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 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2k3t h SER 2455CO 0.00 0.00 -0.71 0.59 -1.14 0.00 0.00 176.83 175.57 2k3t n ASN 2456N -4.08 0.61 -0.07 3.07 3.02 -1.26 -4.49 115.26 112.06 2k3t n ASN 2456Ca 0.03 -0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.27 2k3t n ASN 2456Cb 0.35 0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 39.86 2k3t n ASN 2456CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3t n ALA 2457N -1.65 1.65 0.00 5.41 0.00 -0.10 -4.89 120.51 120.93 2k3t n ALA 2457Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2k3t n ALA 2457Cb 0.38 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 2.34 -0.66 3.77 0.00 0.00 -0.27 -3.98 105.19 106.39 2k3t n GLY 2458Ca -0.25 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.36 2.59 0.00 4.61 0.00 -1.26 -4.83 121.76 121.50 2k3t s ALA 2459Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2k3t s ALA 2459Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k3t s ALA 2459CO 0.00 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2k3t n GLY 2460N -0.06 3.27 3.78 0.00 0.00 -1.26 -2.29 105.19 108.64 2k3t n GLY 2460Ca 0.11 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 3.48 0.02 4.61 0.00 -1.26 -4.93 121.76 121.67 2k3t s ALA 2461Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2k3t s ALA 2461Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2k3t s ALA 2461CO 0.00 0.31 0.04 -1.17 0.00 0.00 0.00 175.76 174.94 2k3t s LEU 2462N -1.12 3.68 -0.28 0.00 2.96 -1.26 -1.26 118.68 121.41 2k3t s LEU 2462Ca 0.34 0.02 0.20 0.00 -0.22 0.00 0.00 54.13 54.48 2k3t s LEU 2462Cb -0.22 -2.21 0.49 0.00 0.50 0.00 0.00 46.19 44.75 2k3t s LEU 2462CO 0.25 0.24 1.09 -0.24 -1.32 0.00 0.00 176.35 176.37 2k3t n SER 2463N 1.05 1.94 -4.75 3.68 2.88 0.40 -4.99 113.62 113.83 2k3t n SER 2463Ca -0.12 -2.35 -0.41 0.00 -1.33 0.00 0.00 58.87 54.65 2k3t n SER 2463Cb 0.52 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 2k3t n SER 2463CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k3t s VAL 2464N -3.80 2.49 0.02 2.46 0.11 -1.25 -4.21 120.40 116.22 2k3t s VAL 2464Ca 0.30 0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.78 2k3t s VAL 2464Cb 0.36 -3.26 -0.01 0.00 -1.53 0.00 0.00 36.38 31.93 2k3t s VAL 2464CO -0.02 0.07 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.87 2k3t s THR 2465N -0.07 0.43 -0.14 5.04 2.01 -0.47 -4.98 115.64 117.46 2k3t s THR 2465Ca 0.60 -0.65 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2k3t s THR 2465Cb -0.43 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 71.64 2k3t s THR 2465CO 0.45 -0.15 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.41 2k3t s ILE 2466N -0.77 1.85 0.17 1.82 1.01 -1.26 -0.41 121.20 123.61 2k3t s ILE 2466Ca -0.05 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.79 2k3t s ILE 2466Cb -0.06 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 2k3t s ILE 2466CO 0.00 0.51 0.32 -0.62 0.00 0.00 0.00 174.94 175.14 2k3t s ASP 2467N 1.05 6.34 0.00 3.58 2.15 -0.54 -4.92 116.67 124.32 2k3t s ASP 2467Ca -0.03 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.15 2k3t s ASP 2467Cb -0.14 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.55 2k3t s ASP 2467CO -0.05 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.57 2k3t n GLY 2468N -0.70 -1.22 0.21 2.66 0.00 -1.26 -0.57 105.19 104.31 2k3t n GLY 2468Ca -0.07 -0.85 0.15 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 -3.55 1.61 0.13 -1.89 -3.46 132.00 124.85 2k3t h PRO 2469Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 2k3t h PRO 2469Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2k3t h PRO 2469CO 0.00 0.00 0.02 -1.12 -0.23 0.00 0.00 178.00 176.67 2k3t s SER 2470N -5.00 0.30 0.89 1.44 0.01 -1.26 -5.00 113.70 105.08 2k3t s SER 2470Ca 0.02 -1.18 -0.11 0.00 1.31 0.00 0.00 55.95 55.99 2k3t s SER 2470Cb 0.09 0.72 0.13 0.00 0.21 0.00 0.00 66.02 67.17 2k3t s SER 2470CO 0.47 -1.40 1.10 -0.54 0.41 0.00 0.00 173.24 173.27 2k3t s LYS 2471N -3.07 1.26 0.06 12.44 3.01 -1.26 -4.98 119.74 127.20 2k3t s LYS 2471Ca 0.22 1.08 0.09 0.00 -1.01 0.00 0.00 55.97 56.35 2k3t s LYS 2471Cb -0.03 -1.79 -0.03 0.00 -1.01 0.00 0.00 37.83 34.97 2k3t s LYS 2471CO 0.14 -2.31 -0.24 0.14 0.51 0.00 0.00 175.35 173.58 2k3t s VAL 2472N -2.81 2.36 -0.94 3.17 -7.23 -1.26 -4.42 120.40 109.26 2k3t s VAL 2472Ca 0.64 -1.41 -0.21 0.00 -1.81 0.00 0.00 61.98 59.19 2k3t s VAL 2472Cb -0.19 -1.97 0.10 0.00 0.56 0.00 0.00 36.38 34.87 2k3t s VAL 2472CO 0.58 0.29 1.23 -0.54 -0.31 0.00 0.00 175.10 176.35 2k3t s LYS 2473N -1.49 3.55 0.12 4.82 1.02 -0.84 -4.92 119.74 122.01 2k3t s LYS 2473Ca 0.13 -1.45 -0.16 0.00 0.02 0.00 0.00 55.97 54.51 2k3t s LYS 2473Cb -0.10 -5.00 -0.07 0.00 -0.52 0.00 0.00 37.83 32.14 2k3t s LYS 2473CO 0.04 -1.93 0.56 1.41 -0.92 0.00 0.00 175.35 174.51 2k3t s MET 2474N 3.61 4.05 -0.48 1.68 1.75 -1.26 -1.67 119.30 126.98 2k3t s MET 2474Ca 0.36 0.57 0.04 0.00 -1.25 0.00 0.00 55.69 55.41 2k3t s MET 2474Cb -0.04 -3.02 0.16 0.00 2.84 0.00 0.00 34.83 34.77 2k3t s MET 2474CO -0.08 0.53 0.36 0.34 -0.65 0.00 0.00 175.02 175.51 2k3t s ASP 2475N -1.52 2.63 -0.00 1.11 2.15 0.41 -4.99 116.67 116.45 2k3t s ASP 2475Ca 0.35 -3.14 -0.21 0.00 0.43 0.00 0.00 52.55 49.98 2k3t s ASP 2475Cb -0.16 -0.79 -0.05 0.00 -0.30 0.00 0.00 42.92 41.61 2k3t s ASP 2475CO 0.19 -0.17 0.63 0.00 -0.17 0.00 0.00 175.17 175.65 2k3t s GLN 2477N -0.08 0.07 0.19 0.00 -0.21 -0.06 -5.01 119.66 114.56 2k3t s GLN 2477Ca 0.33 -0.07 -0.27 0.00 0.02 0.00 0.00 55.36 55.36 2k3t s GLN 2477Cb -0.19 -0.04 -0.08 0.00 1.00 0.00 0.00 33.01 33.70 2k3t s GLN 2477CO 0.18 0.01 0.85 -2.00 -2.12 0.00 0.00 175.29 172.21 2k3t s GLU 2478N -0.13 4.69 0.27 2.91 2.12 -1.26 -1.08 118.70 126.22 2k3t s GLU 2478Ca -0.01 1.31 -0.20 0.00 0.36 0.00 0.00 54.97 56.43 2k3t s GLU 2478Cb -0.01 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 31.12 2k3t s GLU 2478CO -0.00 0.53 0.68 0.00 -0.54 0.00 0.00 175.26 175.93 2k3t h PRO 2480N 2.03 0.00 0.00 0.00 0.13 -2.03 -1.79 132.00 130.34 2k3t h PRO 2480Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2k3t h PRO 2480Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k3t h PRO 2480CO 0.26 0.00 0.00 -1.91 -0.23 0.00 0.00 178.00 176.12 2k3t n GLU 2481N -2.40 0.06 0.00 0.86 4.07 -1.26 -4.90 120.64 117.07 2k3t n GLU 2481Ca 0.00 0.11 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2k3t n GLU 2481Cb 0.16 -1.58 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2k3t n GLU 2481CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k3t n GLY 2482N 1.09 0.24 3.13 8.31 0.00 -0.67 -3.92 105.19 113.36 2k3t n GLY 2482Ca 0.06 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 3.25 -0.09 1.61 2.02 -0.63 -1.34 117.35 122.16 2k3t s TYR 2483Ca 0.00 -2.06 -0.24 0.00 -0.37 0.00 0.00 57.07 54.41 2k3t s TYR 2483Cb 0.00 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.51 2k3t s TYR 2483CO 0.00 -0.83 0.72 0.50 -1.57 0.00 0.00 175.55 174.36 2k3t s ARG 2484N 1.19 4.40 -0.23 -0.62 3.52 -0.24 -0.48 118.95 126.49 2k3t s ARG 2484Ca -0.07 0.89 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 2k3t s ARG 2484Cb -0.20 -3.48 0.04 0.00 -1.56 0.00 0.00 34.95 29.76 2k3t s ARG 2484CO -0.03 -0.02 -0.13 0.08 -0.81 0.00 0.00 175.30 174.39 2k3t s VAL 2485N 1.08 2.28 -0.09 7.11 1.01 0.57 -0.88 120.40 131.48 2k3t s VAL 2485Ca 0.37 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2k3t s VAL 2485Cb -0.17 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2k3t s VAL 2485CO 0.17 0.20 0.05 -0.89 0.00 0.00 0.00 175.10 174.63 2k3t s THR 2486N 1.21 4.72 -0.05 3.92 2.01 -0.94 -1.32 115.64 125.18 2k3t s THR 2486Ca -0.03 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 2k3t s THR 2486Cb -0.17 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.33 2k3t s THR 2486CO -0.07 0.59 0.22 -0.72 -0.69 0.00 0.00 174.62 173.95 2k3t s TYR 2487N -0.96 -0.16 -0.30 4.92 1.13 -0.49 -0.44 117.35 121.05 2k3t s TYR 2487Ca 0.15 0.35 -0.08 0.00 -1.41 0.00 0.00 57.07 56.08 2k3t s TYR 2487Cb -0.12 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 2k3t s TYR 2487CO 0.04 -0.22 0.10 0.99 -2.51 0.00 0.00 175.55 173.95 2k3t s THR 2488N -0.57 4.16 0.56 -3.49 2.01 -0.67 -0.65 115.64 117.00 2k3t s THR 2488Ca -0.07 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 2k3t s THR 2488Cb -0.04 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2k3t s THR 2488CO 0.01 0.07 0.97 -2.16 -0.69 0.00 0.00 174.62 172.82 2k3t s PRO 2489N 1.53 3.69 0.00 4.92 0.04 -1.26 -1.98 135.00 141.94 2k3t s PRO 2489Ca 0.03 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.78 2k3t s PRO 2489Cb -0.17 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2k3t s PRO 2489CO 0.04 -0.41 0.45 0.00 0.04 0.00 0.00 177.00 177.11 2k3t n MET 2490N -2.30 0.18 -3.70 4.56 0.00 -1.26 -1.37 117.12 113.23 2k3t n MET 2490Ca 0.05 -0.54 -0.14 0.00 0.00 0.00 0.00 57.70 57.07 2k3t n MET 2490Cb 0.54 -0.78 -0.08 0.00 0.00 0.00 0.00 33.22 32.90 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 -0.19 -1.01 0.52 3.17 0.00 -1.26 -1.59 121.76 121.40 2k3t s ALA 2491Ca 0.00 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.30 2k3t s ALA 2491Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 2k3t s ALA 2491CO 0.00 -0.30 1.05 -1.25 0.00 0.00 0.00 175.76 175.26 2k3t s PRO 2492N -1.38 3.65 0.00 0.00 0.04 -1.26 -4.84 135.00 131.21 2k3t s PRO 2492Ca -0.12 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2k3t s PRO 2492Cb -0.04 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2k3t s PRO 2492CO 0.05 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2k3t n GLY 2493N -0.41 0.97 3.63 0.56 0.00 -0.38 -4.84 105.19 104.71 2k3t n GLY 2493Ca 0.09 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.54 6.64 -0.33 1.61 1.04 -1.26 -0.46 113.70 118.40 2k3t s SER 2494Ca 0.00 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.05 2k3t s SER 2494Cb 0.00 -2.36 -0.01 0.00 0.10 0.00 0.00 66.02 63.75 2k3t s SER 2494CO 0.00 -0.39 0.46 -0.31 0.98 0.00 0.00 173.24 173.99 2k3t s TYR 2495N 2.49 3.20 -0.53 5.02 1.51 -0.36 -4.38 117.35 124.29 2k3t s TYR 2495Ca 0.28 0.21 -0.22 0.00 -1.01 0.00 0.00 57.07 56.33 2k3t s TYR 2495Cb -0.15 -2.81 0.05 0.00 -0.11 0.00 0.00 41.96 38.94 2k3t s TYR 2495CO 0.08 -0.45 0.80 -1.17 -1.11 0.00 0.00 175.55 173.70 2k3t s LEU 2496N 2.27 4.50 -0.59 -1.29 2.96 0.26 -2.34 118.68 124.45 2k3t s LEU 2496Ca 0.17 -0.63 -0.23 0.00 -0.22 0.00 0.00 54.13 53.23 2k3t s LEU 2496Cb -0.16 -2.64 0.06 0.00 0.50 0.00 0.00 46.19 43.95 2k3t s LEU 2496CO 0.12 -1.08 0.90 -0.63 -1.32 0.00 0.00 176.35 174.34 2k3t s ILE 2497N 3.36 4.43 -0.75 6.68 1.01 0.27 -1.47 121.20 134.72 2k3t s ILE 2497Ca 0.23 -0.13 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 2k3t s ILE 2497Cb -0.16 -4.57 0.10 0.00 0.01 0.00 0.00 42.46 37.85 2k3t s ILE 2497CO 0.16 -1.22 0.97 -0.44 0.00 0.00 0.00 174.94 174.41 2k3t s SER 2498N 3.20 6.36 -0.84 3.58 0.01 0.46 -1.70 113.70 124.77 2k3t s SER 2498Ca 0.24 -1.51 -0.19 0.00 1.31 0.00 0.00 55.95 55.80 2k3t s SER 2498Cb -0.16 -2.38 0.13 0.00 0.21 0.00 0.00 66.02 63.82 2k3t s SER 2498CO 0.14 -1.22 1.01 -0.63 0.41 0.00 0.00 173.24 172.95 2k3t s ILE 2499N 3.20 4.80 -0.13 1.44 1.01 -1.26 -1.37 121.20 128.88 2k3t s ILE 2499Ca 0.24 -1.46 -0.05 0.00 0.00 0.00 0.00 60.65 59.37 2k3t s ILE 2499Cb -0.13 -4.69 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 2k3t s ILE 2499CO 0.02 -1.39 0.07 -0.54 0.00 0.00 0.00 174.94 173.09 2k3t s LYS 2500N 2.54 3.45 -0.05 2.79 1.02 -1.26 -1.05 119.74 127.18 2k3t s LYS 2500Ca 0.27 -0.28 -0.09 0.00 0.02 0.00 0.00 55.97 55.89 2k3t s LYS 2500Cb -0.09 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.17 2k3t s LYS 2500CO -0.05 0.60 0.21 -0.47 -0.92 0.00 0.00 175.35 174.73 2k3t s TYR 2501N -0.57 -0.16 -1.13 3.18 6.14 -0.82 -0.45 117.35 123.54 2k3t s TYR 2501Ca 0.11 0.36 0.00 0.00 0.64 0.00 0.00 57.07 58.18 2k3t s TYR 2501Cb -0.12 0.05 0.00 0.00 0.42 0.00 0.00 41.96 42.31 2k3t s TYR 2501CO 0.02 -0.20 0.00 0.41 0.64 0.00 0.00 175.55 176.42 2k3t n GLY 2502N 2.31 1.17 0.00 8.97 0.00 -0.39 -4.46 105.19 112.79 2k3t n GLY 2502Ca -0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.26 0.80 0.86 -0.02 0.00 -1.26 -4.94 105.19 99.38 2k3t n GLY 2503Ca -0.11 -2.01 -0.01 0.00 0.00 0.00 0.00 46.02 43.89 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 1.30 -4.84 1.61 -0.04 -1.26 -4.85 135.00 126.92 2k3t n PRO 2504Ca 0.00 -0.34 -0.33 0.00 -0.04 0.00 0.00 63.50 62.79 2k3t n PRO 2504Cb 0.00 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 31.94 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 -0.83 2.75 0.43 0.54 2.02 -1.26 -4.97 117.35 116.03 2k3t s TYR 2505Ca 0.06 -0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.13 2k3t s TYR 2505Cb 0.05 -1.73 -0.08 0.00 -0.40 0.00 0.00 41.96 39.80 2k3t s TYR 2505CO 0.02 0.01 1.36 -1.01 -1.57 0.00 0.00 175.55 174.35 2k3t s HIS 2506N -0.24 2.64 0.93 2.71 3.76 -1.26 -1.94 115.29 121.89 2k3t s HIS 2506Ca 0.01 1.34 -0.13 0.00 -0.15 0.00 0.00 55.06 56.13 2k3t s HIS 2506Cb -0.13 -3.78 0.15 0.00 1.11 0.00 0.00 32.58 29.93 2k3t s HIS 2506CO 0.03 -2.49 1.17 0.96 -0.85 0.00 0.00 174.74 173.56 2k3t s ILE 2507N -1.24 1.96 -0.19 0.60 -5.25 -0.22 -4.78 121.20 112.08 2k3t s ILE 2507Ca 0.59 0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.97 2k3t s ILE 2507Cb -0.41 -2.80 -0.06 0.00 2.95 0.00 0.00 42.46 42.15 2k3t s ILE 2507CO 0.52 0.00 2.20 0.61 -1.79 0.00 0.00 174.94 176.48 2k3t n GLY 2508N -2.49 1.11 0.56 6.27 0.00 -0.98 -1.25 105.19 108.40 2k3t n GLY 2508Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 5.66 0.57 3.82 -0.02 0.00 -1.26 -4.53 105.19 109.42 2k3t n GLY 2509Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.49 7.02 0.55 1.61 0.15 -0.38 -4.35 113.70 115.81 2k3t s SER 2510Ca 0.00 1.60 -0.15 0.00 0.70 0.00 0.00 55.95 58.10 2k3t s SER 2510Cb 0.00 -2.50 -0.06 0.00 -1.71 0.00 0.00 66.02 61.75 2k3t s SER 2510CO 0.00 -0.20 1.00 -2.16 1.20 0.00 0.00 173.24 173.08 2k3t s PRO 2511N -2.70 3.79 -0.16 5.44 0.04 -1.26 -4.74 135.00 135.41 2k3t s PRO 2511Ca 0.55 0.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.47 2k3t s PRO 2511Cb -0.13 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2k3t s PRO 2511CO 0.18 -0.41 0.01 -0.06 0.04 0.00 0.00 177.00 176.77 2k3t s PHE 2512N -2.73 3.15 -2.16 0.56 0.40 -0.69 -4.93 117.98 111.58 2k3t s PHE 2512Ca 0.59 -0.08 0.19 0.00 -0.60 0.00 0.00 56.93 57.02 2k3t s PHE 2512Cb -0.11 -2.00 0.80 0.00 0.51 0.00 0.00 43.02 42.22 2k3t s PHE 2512CO 0.37 0.10 1.56 0.36 0.70 0.00 0.00 175.22 178.30 2k3t n LYS 2513N 3.42 1.49 -0.05 0.44 2.85 -1.26 -0.57 118.16 124.48 2k3t n LYS 2513Ca -0.17 -0.74 0.00 0.00 -1.05 0.00 0.00 58.31 56.35 2k3t n LYS 2513Cb 0.52 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.56 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 -0.03 -0.16 -2.62 0.58 0.00 -0.99 -3.30 120.51 114.00 2k3t n ALA 2514Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 2k3t n ALA 2514Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 3.97 -0.02 0.00 1.02 -0.80 -1.23 119.74 122.68 2k3t s LYS 2515Ca 0.00 0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.71 2k3t s LYS 2515Cb 0.00 -3.74 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2k3t s LYS 2515CO 0.00 -0.78 -0.02 0.08 -0.92 0.00 0.00 175.35 173.71 2k3t s VAL 2516N 3.20 4.03 0.38 3.17 1.01 0.39 -2.96 120.40 129.63 2k3t s VAL 2516Ca 0.36 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2k3t s VAL 2516Cb -0.13 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2k3t s VAL 2516CO 0.14 0.43 0.16 0.42 0.00 0.00 0.00 175.10 176.26 2k3t s THR 2517N -1.01 0.45 0.00 3.92 -4.23 -0.52 -1.25 115.64 113.00 2k3t s THR 2517Ca 0.17 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2k3t s THR 2517Cb -0.11 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2k3t s THR 2517CO 0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 2k3t n GLY 2518N -0.83 -1.30 3.64 3.99 0.00 -1.26 -1.77 105.19 107.66 2k3t n GLY 2518Ca -0.03 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 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 0.00 -0.77 -0.01 1.61 0.04 -1.26 -4.52 135.00 130.09 2k3t s PRO 2519Ca 0.00 -0.02 0.06 0.00 0.04 0.00 0.00 61.00 61.08 2k3t s PRO 2519Cb 0.00 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2k3t s PRO 2519CO 0.00 -3.42 -0.18 -0.98 0.04 0.00 0.00 177.00 172.46 2k3t s ARG 2520N -5.39 1.46 0.16 4.56 1.70 -1.26 -4.29 118.95 115.88 2k3t s ARG 2520Ca 0.70 -0.68 0.25 0.00 -0.47 0.00 0.00 55.73 55.53 2k3t s ARG 2520Cb -0.10 -1.42 0.51 0.00 -0.57 0.00 0.00 34.95 33.37 2k3t s ARG 2520CO 0.56 0.39 1.49 1.28 -1.08 0.00 0.00 175.30 177.94 2k3t n LEU 2521N 2.55 0.76 0.00 -1.89 7.99 -0.62 -5.02 117.00 120.77 2k3t n LEU 2521Ca -0.15 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2k3t n LEU 2521Cb 0.54 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 2k3t n LEU 2521CO 0.24 -0.11 0.12 1.33 -1.51 0.00 0.00 177.39 177.46