#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 2.62 0.01 4.61 0.00 -1.26 -5.01 121.76 122.73 2k3t s ALA -2 Ca 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 2k3t s ALA -2 Cb 0.00 -3.27 -0.30 0.00 0.00 0.00 0.00 23.12 19.55 2k3t s ALA -2 CO 0.00 -1.02 1.03 1.98 0.00 0.00 0.00 175.76 177.75 2k3t h MET -1 N 0.23 0.49 0.00 0.00 -1.53 -1.85 -3.42 114.93 108.86 2k3t h MET -1 Ca -0.47 -0.70 0.00 0.00 -3.44 0.00 0.00 59.70 55.09 2k3t h MET -1 Cb 1.23 0.24 0.00 0.00 -0.55 0.00 0.00 31.60 32.52 2k3t h MET -1 CO 0.56 1.31 0.00 0.41 0.14 0.00 0.00 176.91 179.33 2k3t n GLY 2427N 1.46 -2.45 2.96 1.39 0.00 -1.25 -4.85 105.19 102.45 2k3t n GLY 2427Ca -0.14 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.53 -0.04 0.40 1.61 1.01 -1.26 -5.03 116.67 110.83 2k3t s ASP 2428Ca 0.00 0.40 0.10 0.00 0.71 0.00 0.00 52.55 53.76 2k3t s ASP 2428Cb 0.00 0.31 0.90 0.00 1.01 0.00 0.00 42.92 45.14 2k3t s ASP 2428CO 0.00 -0.17 1.96 -0.65 0.21 0.00 0.00 175.17 176.52 2k3t h PRO 2429N 7.43 0.55 0.00 8.23 0.11 -1.89 -1.77 132.00 144.65 2k3t h PRO 2429Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2k3t h PRO 2429Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2k3t h PRO 2429CO 0.36 0.36 0.00 0.78 -0.21 0.00 0.00 178.00 179.29 2k3t h GLY 2430N 0.56 0.00 1.30 -0.55 0.00 -1.91 -2.33 103.07 100.13 2k3t h GLY 2430Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2k3t h GLY 2430CO -0.10 0.00 -0.72 1.41 0.00 0.00 0.00 176.54 177.12 2k3t h LEU 2431N 0.00 0.00 -9.69 3.11 -0.00 -1.69 -3.42 115.31 103.63 2k3t h LEU 2431Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 2k3t h LEU 2431Cb 0.61 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 2k3t h LEU 2431CO 0.00 0.03 0.31 -0.69 -0.00 0.00 0.00 178.44 178.09 2k3t s VAL 2432N -3.30 4.27 0.00 1.22 1.01 -1.03 -4.01 120.40 118.56 2k3t s VAL 2432Ca 0.02 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2k3t s VAL 2432Cb 0.08 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2k3t s VAL 2432CO 0.76 0.45 0.00 -0.24 0.00 0.00 0.00 175.10 176.07 2k3t n SER 2433N 1.91 1.19 -3.67 3.32 2.88 -0.41 -2.52 113.62 116.32 2k3t n SER 2433Ca -0.02 -0.99 -0.14 0.00 -1.33 0.00 0.00 58.87 56.40 2k3t n SER 2433Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 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 -2.00 -1.37 -0.03 -1.46 0.00 -1.26 -0.70 121.76 114.93 2k3t s ALA 2434Ca 0.00 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.27 2k3t s ALA 2434Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.48 2k3t s ALA 2434CO 0.00 -0.28 0.17 0.71 0.00 0.00 0.00 175.76 176.36 2k3t s TYR 2435N -0.13 -0.09 0.00 0.00 2.02 -0.56 -4.93 117.35 113.66 2k3t s TYR 2435Ca -0.03 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2k3t s TYR 2435Cb -0.03 0.02 0.00 0.00 -0.40 0.00 0.00 41.96 41.54 2k3t s TYR 2435CO 0.03 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 2k3t n GLY 2436N 2.18 3.81 0.26 0.71 0.00 -1.26 -0.44 105.19 110.45 2k3t n GLY 2436Ca -0.18 -1.72 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 1.64 0.00 4.61 0.00 -1.90 -2.82 119.26 120.80 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 0.34 0.00 2.00 0.00 0.00 -1.22 -1.16 103.07 103.03 2k3t h GLY 2438Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 2k3t h GLY 2438CO 0.01 0.00 -0.59 1.41 0.00 0.00 0.00 176.54 177.37 2k3t h LEU 2439N 0.00 0.00 0.03 3.11 3.38 -1.73 -3.34 115.31 116.76 2k3t h LEU 2439Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2k3t h LEU 2439Cb 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2k3t h LEU 2439CO 0.00 0.59 -1.94 -0.62 0.09 0.00 0.00 178.44 176.56 2k3t n GLU 2440N -3.65 0.68 -2.51 1.13 -0.58 -0.48 -3.68 120.64 111.54 2k3t n GLU 2440Ca -0.01 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 2k3t n GLU 2440Cb 0.63 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 2k3t n GLU 2440CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k3t n GLY 2441N 1.75 -0.50 0.00 0.62 0.00 -0.92 -1.37 105.19 104.77 2k3t n GLY 2441Ca -0.25 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.08 3.24 -0.02 0.00 -1.21 -4.10 105.19 102.02 2k3t n GLY 2442Ca 0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 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 -3.00 1.60 0.09 1.61 1.01 -1.26 -3.16 120.40 117.29 2k3t s VAL 2443Ca 0.00 -1.16 -0.34 0.00 0.00 0.00 0.00 61.98 60.47 2k3t s VAL 2443Cb 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 36.38 34.85 2k3t s VAL 2443CO 0.00 0.19 1.64 0.35 0.00 0.00 0.00 175.10 177.28 2k3t n THR 2444N 1.88 0.14 -0.46 3.92 -2.24 -0.70 -1.75 114.28 115.07 2k3t n THR 2444Ca -0.17 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2k3t n THR 2444Cb 0.53 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 3.60 2.00 3.86 3.38 0.00 -0.34 -4.85 105.19 112.84 2k3t n GLY 2445Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2k3t n GLY 2445CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k3t s ASN 2446N -3.48 6.53 -0.12 1.61 3.84 -0.72 -4.99 114.94 117.61 2k3t s ASN 2446Ca 0.00 0.64 -0.29 0.00 0.21 0.00 0.00 52.86 53.41 2k3t s ASN 2446Cb 0.00 -2.13 -0.02 0.00 -0.55 0.00 0.00 41.25 38.55 2k3t s ASN 2446CO 0.00 0.38 1.23 -2.16 -2.79 0.00 0.00 177.10 173.75 2k3t s PRO 2447N -1.02 4.28 0.19 0.43 0.04 -1.26 -4.30 135.00 133.36 2k3t s PRO 2447Ca 0.18 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.93 2k3t s PRO 2447Cb -0.14 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 2k3t s PRO 2447CO 0.07 -0.60 0.17 0.00 0.04 0.00 0.00 177.00 176.69 2k3t s ALA 2448N 2.96 3.61 0.13 8.56 0.00 0.06 -4.97 121.76 132.12 2k3t s ALA 2448Ca 0.55 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 2k3t s ALA 2448Cb -0.23 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.56 2k3t s ALA 2448CO 0.17 0.42 0.51 -1.83 0.00 0.00 0.00 175.76 175.04 2k3t s GLU 2449N -3.36 1.16 -0.09 0.00 4.04 -1.26 -0.99 118.70 118.20 2k3t s GLU 2449Ca 0.32 -0.52 -0.29 0.00 0.04 0.00 0.00 54.97 54.52 2k3t s GLU 2449Cb -0.09 0.52 0.07 0.00 0.02 0.00 0.00 34.13 34.65 2k3t s GLU 2449CO 0.24 -0.47 0.67 -0.59 -1.84 0.00 0.00 175.26 173.27 2k3t s PHE 2450N -3.55 -0.66 -0.23 4.83 -0.71 -0.77 -1.00 117.98 115.89 2k3t s PHE 2450Ca 0.01 1.23 -0.09 0.00 -1.04 0.00 0.00 56.93 57.04 2k3t s PHE 2450Cb 0.00 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2k3t s PHE 2450CO -0.11 -0.56 0.12 0.08 -1.34 0.00 0.00 175.22 173.41 2k3t s VAL 2451N -0.91 4.97 -0.45 -2.49 1.01 0.42 -0.75 120.40 122.19 2k3t s VAL 2451Ca -0.09 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 2k3t s VAL 2451Cb -0.01 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.07 2k3t s VAL 2451CO 0.08 0.36 1.42 -0.69 0.00 0.00 0.00 175.10 176.27 2k3t s VAL 2452N 1.14 3.86 -0.37 2.92 1.01 0.65 -1.49 120.40 128.11 2k3t s VAL 2452Ca 0.06 0.85 -0.23 0.00 0.00 0.00 0.00 61.98 62.66 2k3t s VAL 2452Cb -0.14 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2k3t s VAL 2452CO 0.04 -0.85 0.78 0.21 0.00 0.00 0.00 175.10 175.29 2k3t s ASN 2453N 4.14 6.53 0.00 3.32 3.84 0.12 -2.23 114.94 130.66 2k3t s ASN 2453Ca 0.60 0.30 0.18 0.00 0.21 0.00 0.00 52.86 54.15 2k3t s ASN 2453Cb -0.13 -2.39 0.22 0.00 -0.55 0.00 0.00 41.25 38.39 2k3t s ASN 2453CO 0.31 -0.75 1.14 0.35 -2.79 0.00 0.00 177.10 175.36 2k3t n THR 2454N 5.83 0.21 0.16 -5.21 -2.24 -0.20 -1.29 114.28 111.54 2k3t n THR 2454Ca 0.03 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2k3t n THR 2454Cb 0.48 1.19 0.64 0.00 -2.10 0.00 0.00 70.33 70.54 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 3.50 0.04 0.40 3.42 0.02 -1.89 -0.30 113.55 118.74 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 0.78 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2k3t h SER 2455CO 0.00 0.03 -0.72 0.59 -1.14 0.00 0.00 176.83 175.58 2k3t n ASN 2456N -4.49 0.64 -0.10 3.07 4.13 -1.26 -4.42 115.26 112.83 2k3t n ASN 2456Ca 0.01 -0.38 -0.11 0.00 1.68 0.00 0.00 54.58 55.78 2k3t n ASN 2456Cb 0.24 0.52 -0.14 0.00 -1.54 0.00 0.00 39.78 38.86 2k3t n ASN 2456CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k3t n ALA 2457N -1.58 1.53 0.00 5.41 0.00 -0.29 -4.91 120.51 120.66 2k3t n ALA 2457Ca 0.04 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2k3t n ALA 2457Cb 0.36 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 2.00 -1.52 3.70 0.00 0.00 -0.28 -3.86 105.19 105.23 2k3t n GLY 2458Ca -0.33 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.29 1.91 0.00 4.61 0.00 -1.26 -4.87 121.76 120.86 2k3t s ALA 2459Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2k3t s ALA 2459Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2k3t s ALA 2459CO 0.00 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 173.98 2k3t n GLY 2460N 0.46 -1.97 3.26 0.00 0.00 -1.26 -4.01 105.19 101.67 2k3t n GLY 2460Ca 0.13 -1.31 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.44 1.84 0.11 4.61 0.00 -1.26 -4.98 121.76 120.64 2k3t s ALA 2461Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 2k3t s ALA 2461Cb 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 2k3t s ALA 2461CO 0.00 0.43 0.46 -1.17 0.00 0.00 0.00 175.76 175.48 2k3t s LEU 2462N -0.97 4.34 -0.26 0.00 2.96 -1.26 -1.26 118.68 122.23 2k3t s LEU 2462Ca 0.08 0.90 0.21 0.00 -0.22 0.00 0.00 54.13 55.10 2k3t s LEU 2462Cb -0.09 -3.11 0.51 0.00 0.50 0.00 0.00 46.19 44.00 2k3t s LEU 2462CO 0.01 0.14 1.12 -0.24 -1.32 0.00 0.00 176.35 176.06 2k3t n SER 2463N 0.83 1.88 -4.76 3.68 2.88 0.31 -4.98 113.62 113.47 2k3t n SER 2463Ca -0.07 -2.19 -0.37 0.00 -1.33 0.00 0.00 58.87 54.92 2k3t n SER 2463Cb 0.52 -0.47 0.02 0.00 -0.75 0.00 0.00 64.21 63.54 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 -3.88 2.60 0.13 2.46 0.11 -1.25 -4.21 120.40 116.36 2k3t s VAL 2464Ca 0.29 0.42 -0.14 0.00 -2.93 0.00 0.00 61.98 59.63 2k3t s VAL 2464Cb 0.33 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 32.00 2k3t s VAL 2464CO -0.03 -0.03 0.36 0.28 -3.33 0.00 0.00 175.10 172.34 2k3t s THR 2465N -1.48 0.08 -0.06 5.04 -1.32 -0.53 -4.98 115.64 112.39 2k3t s THR 2465Ca 0.71 -0.79 -0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2k3t s THR 2465Cb -0.33 -1.30 0.03 0.00 -1.51 0.00 0.00 72.50 69.38 2k3t s THR 2465CO 0.38 -0.37 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.78 2k3t s ILE 2466N -3.84 0.44 0.47 5.08 1.01 -1.26 -0.65 121.20 122.45 2k3t s ILE 2466Ca 0.05 0.01 0.07 0.00 0.00 0.00 0.00 60.65 60.79 2k3t s ILE 2466Cb 0.02 -0.53 0.01 0.00 0.01 0.00 0.00 42.46 41.97 2k3t s ILE 2466CO -0.10 0.24 0.45 -1.81 0.00 0.00 0.00 174.94 173.72 2k3t s ASP 2467N 1.47 4.98 0.00 3.58 1.01 -0.25 -4.81 116.67 122.64 2k3t s ASP 2467Ca -0.03 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.36 2k3t s ASP 2467Cb -0.13 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.59 2k3t s ASP 2467CO -0.03 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.09 2k3t n GLY 2468N -1.71 -0.05 0.01 0.21 0.00 -1.26 -0.68 105.19 101.71 2k3t n GLY 2468Ca 0.04 -1.21 0.08 0.00 0.00 0.00 0.00 46.02 44.93 2k3t n GLY 2468CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k3t n PRO 2469N 0.00 0.02 -3.73 1.61 -0.04 -1.26 -4.89 135.00 126.71 2k3t n PRO 2469Ca 0.00 0.26 -0.04 0.00 -0.04 0.00 0.00 63.50 63.69 2k3t n PRO 2469Cb 0.00 -1.54 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 2k3t n PRO 2469CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k3t s SER 2470N -3.14 -0.19 -0.57 3.54 1.04 -1.26 -5.01 113.70 108.11 2k3t s SER 2470Ca 0.07 -0.37 -0.28 0.00 0.48 0.00 0.00 55.95 55.85 2k3t s SER 2470Cb 0.10 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2k3t s SER 2470CO 0.28 -0.87 1.20 -0.54 0.98 0.00 0.00 173.24 174.30 2k3t s LYS 2471N -3.26 3.53 0.67 4.02 1.02 -1.26 -4.90 119.74 119.56 2k3t s LYS 2471Ca 0.12 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.24 2k3t s LYS 2471Cb -0.01 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 2k3t s LYS 2471CO 0.01 -1.67 1.27 0.14 -0.92 0.00 0.00 175.35 174.19 2k3t s VAL 2472N 4.98 2.10 0.06 3.17 -7.23 -1.26 -4.87 120.40 117.35 2k3t s VAL 2472Ca 0.44 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 2k3t s VAL 2472Cb -0.08 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.89 2k3t s VAL 2472CO 0.26 -0.02 0.95 -0.54 -0.31 0.00 0.00 175.10 175.44 2k3t s LYS 2473N -3.50 4.63 -0.12 4.82 -0.14 -0.90 -4.96 119.74 119.58 2k3t s LYS 2473Ca 0.81 1.40 -0.16 0.00 -1.36 0.00 0.00 55.97 56.65 2k3t s LYS 2473Cb -0.35 -3.41 0.04 0.00 -1.68 0.00 0.00 37.83 32.43 2k3t s LYS 2473CO 0.41 0.12 0.42 1.41 -0.76 0.00 0.00 175.35 176.96 2k3t s MET 2474N 0.36 0.59 0.01 1.68 1.75 -1.26 -0.74 119.30 121.70 2k3t s MET 2474Ca 0.48 0.37 0.00 0.00 -1.25 0.00 0.00 55.69 55.30 2k3t s MET 2474Cb -0.22 0.28 -0.01 0.00 2.84 0.00 0.00 34.83 37.72 2k3t s MET 2474CO 0.28 -0.11 -0.02 0.34 -0.65 0.00 0.00 175.02 174.86 2k3t s ASP 2475N -0.28 0.22 0.05 1.11 2.15 -0.24 -5.01 116.67 114.67 2k3t s ASP 2475Ca -0.04 -0.31 0.07 0.00 0.43 0.00 0.00 52.55 52.70 2k3t s ASP 2475Cb -0.03 0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.61 2k3t s ASP 2475CO 0.02 -0.17 -0.21 0.00 -0.17 0.00 0.00 175.17 174.64 2k3t s GLN 2477N -1.20 1.27 0.40 0.00 -2.07 -0.32 -5.01 119.66 112.73 2k3t s GLN 2477Ca 0.08 -1.50 -0.23 0.00 -1.82 0.00 0.00 55.36 51.88 2k3t s GLN 2477Cb -0.09 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.06 2k3t s GLN 2477CO 0.02 -0.45 0.99 -2.00 -1.32 0.00 0.00 175.29 172.53 2k3t s GLU 2478N -4.11 4.25 0.21 9.60 2.12 -1.26 -0.70 118.70 128.80 2k3t s GLU 2478Ca 0.33 1.33 -0.07 0.00 0.36 0.00 0.00 54.97 56.92 2k3t s GLU 2478Cb 0.05 -2.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.97 2k3t s GLU 2478CO 0.10 -0.04 0.30 0.00 -0.54 0.00 0.00 175.26 175.08 2k3t h PRO 2480N 2.47 0.00 0.00 0.00 0.13 -2.00 -1.99 132.00 130.61 2k3t h PRO 2480Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.45 0.21 -0.42 0.39 -0.23 0.00 0.00 178.00 178.41 2k3t n GLU 2481N -4.19 0.01 0.00 0.86 4.71 -1.26 -5.00 120.64 115.77 2k3t n GLU 2481Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 2k3t n GLU 2481Cb 0.28 -1.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.20 2k3t n GLU 2481CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k3t n GLY 2482N 1.49 -0.14 3.09 0.62 0.00 -0.75 -1.03 105.19 108.46 2k3t n GLY 2482Ca 0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 2.28 -0.12 1.61 2.02 -0.95 -1.00 117.35 121.19 2k3t s TYR 2483Ca 0.00 -1.16 -0.19 0.00 -0.37 0.00 0.00 57.07 55.35 2k3t s TYR 2483Cb 0.00 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 2k3t s TYR 2483CO 0.00 -0.58 0.50 0.50 -1.57 0.00 0.00 175.55 174.40 2k3t s ARG 2484N 1.05 4.34 -0.17 -0.62 3.52 0.12 -0.26 118.95 126.93 2k3t s ARG 2484Ca -0.04 0.49 -0.10 0.00 -0.13 0.00 0.00 55.73 55.95 2k3t s ARG 2484Cb -0.15 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 2k3t s ARG 2484CO -0.04 0.12 0.17 0.08 -0.81 0.00 0.00 175.30 174.82 2k3t s VAL 2485N 0.73 5.40 -0.11 7.11 1.01 0.07 -1.17 120.40 133.44 2k3t s VAL 2485Ca 0.27 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.54 2k3t s VAL 2485Cb -0.15 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2k3t s VAL 2485CO 0.11 0.47 -0.17 -0.89 0.00 0.00 0.00 175.10 174.62 2k3t s THR 2486N 0.10 1.58 0.01 3.92 2.01 -0.15 -1.84 115.64 121.26 2k3t s THR 2486Ca 0.11 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 2k3t s THR 2486Cb -0.12 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 2k3t s THR 2486CO 0.00 0.46 0.08 -0.72 -0.69 0.00 0.00 174.62 173.75 2k3t s TYR 2487N 0.87 0.12 -0.22 4.92 1.13 -0.16 -1.08 117.35 122.93 2k3t s TYR 2487Ca -0.09 -0.27 0.02 0.00 -1.41 0.00 0.00 57.07 55.32 2k3t s TYR 2487Cb -0.15 -0.10 0.04 0.00 -1.10 0.00 0.00 41.96 40.65 2k3t s TYR 2487CO -0.00 -0.26 -0.15 0.99 -2.51 0.00 0.00 175.55 173.62 2k3t s THR 2488N -1.45 2.18 0.50 -3.49 2.01 0.08 -0.76 115.64 114.72 2k3t s THR 2488Ca -0.15 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 60.41 2k3t s THR 2488Cb -0.08 -2.10 -0.08 0.00 0.01 0.00 0.00 72.50 70.24 2k3t s THR 2488CO 0.01 0.25 0.99 -2.16 -0.69 0.00 0.00 174.62 173.02 2k3t s PRO 2489N 1.21 3.93 0.00 4.92 0.04 -1.26 -2.11 135.00 141.73 2k3t s PRO 2489Ca -0.02 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.08 2k3t s PRO 2489Cb -0.17 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.24 2k3t s PRO 2489CO -0.09 -0.29 0.34 0.00 0.04 0.00 0.00 177.00 177.00 2k3t n MET 2490N -1.40 2.73 -3.87 4.56 0.00 -1.26 -1.19 117.12 116.69 2k3t n MET 2490Ca 0.07 -0.33 -0.11 0.00 0.00 0.00 0.00 57.70 57.34 2k3t n MET 2490Cb 0.54 -0.83 -0.09 0.00 0.00 0.00 0.00 33.22 32.84 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 -0.68 -0.31 0.61 3.17 0.00 -1.26 -1.25 121.76 122.04 2k3t s ALA 2491Ca 0.02 -0.23 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2k3t s ALA 2491Cb 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2k3t s ALA 2491CO 0.06 -0.28 1.07 -1.25 0.00 0.00 0.00 175.76 175.36 2k3t s PRO 2492N -1.95 3.15 0.00 0.00 0.04 -1.26 -4.82 135.00 130.17 2k3t s PRO 2492Ca -0.10 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2k3t s PRO 2492Cb -0.04 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2k3t s PRO 2492CO -0.01 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2k3t n GLY 2493N -0.85 0.66 3.55 0.56 0.00 -0.37 -4.87 105.19 103.87 2k3t n GLY 2493Ca 0.09 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 6.07 0.30 1.61 0.01 -1.26 -0.57 113.70 115.85 2k3t s SER 2494Ca 0.00 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.85 2k3t s SER 2494Cb 0.00 -2.14 -0.08 0.00 0.21 0.00 0.00 66.02 64.01 2k3t s SER 2494CO 0.00 -0.20 0.67 -0.31 0.41 0.00 0.00 173.24 173.80 2k3t s TYR 2495N 1.77 3.41 -0.21 2.43 1.51 -0.13 -4.24 117.35 121.88 2k3t s TYR 2495Ca 0.07 1.05 0.01 0.00 -1.01 0.00 0.00 57.07 57.19 2k3t s TYR 2495Cb -0.17 -2.41 0.04 0.00 -0.11 0.00 0.00 41.96 39.32 2k3t s TYR 2495CO 0.11 0.14 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.38 2k3t s LEU 2496N -3.05 2.57 -0.44 -1.29 2.96 0.15 -0.67 118.68 118.91 2k3t s LEU 2496Ca 0.51 -0.97 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 2k3t s LEU 2496Cb -0.11 -1.39 0.04 0.00 0.50 0.00 0.00 46.19 45.24 2k3t s LEU 2496CO 0.21 -0.12 0.36 -0.63 -1.32 0.00 0.00 176.35 174.85 2k3t s ILE 2497N 1.29 5.22 -0.56 6.68 1.01 0.00 -1.10 121.20 133.74 2k3t s ILE 2497Ca -0.02 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 2k3t s ILE 2497Cb -0.16 -4.03 0.10 0.00 0.01 0.00 0.00 42.46 38.38 2k3t s ILE 2497CO -0.09 -0.44 0.65 -0.44 0.00 0.00 0.00 174.94 174.63 2k3t s SER 2498N 2.05 6.19 -0.48 3.58 0.01 0.17 -1.27 113.70 123.95 2k3t s SER 2498Ca 0.06 -1.36 -0.18 0.00 1.31 0.00 0.00 55.95 55.78 2k3t s SER 2498Cb -0.21 -2.28 0.06 0.00 0.21 0.00 0.00 66.02 63.80 2k3t s SER 2498CO 0.09 -1.02 0.53 -0.63 0.41 0.00 0.00 173.24 172.62 2k3t s ILE 2499N 2.50 5.02 -0.01 1.44 1.01 -1.26 -1.45 121.20 128.44 2k3t s ILE 2499Ca 0.11 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.14 2k3t s ILE 2499Cb -0.24 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 37.99 2k3t s ILE 2499CO 0.07 -0.68 -0.12 -0.54 0.00 0.00 0.00 174.94 173.67 2k3t s LYS 2500N 2.25 2.44 -0.15 2.79 1.02 -1.26 -1.11 119.74 125.72 2k3t s LYS 2500Ca 0.11 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.21 2k3t s LYS 2500Cb -0.21 -2.40 0.04 0.00 -0.52 0.00 0.00 37.83 34.75 2k3t s LYS 2500CO 0.10 0.60 0.40 -0.47 -0.92 0.00 0.00 175.35 175.07 2k3t s TYR 2501N -0.87 -0.44 -0.33 3.18 6.14 -1.18 -0.53 117.35 123.32 2k3t s TYR 2501Ca 0.14 1.08 0.00 0.00 0.64 0.00 0.00 57.07 58.93 2k3t s TYR 2501Cb -0.11 0.15 0.00 0.00 0.42 0.00 0.00 41.96 42.42 2k3t s TYR 2501CO 0.04 -0.21 0.00 0.41 0.64 0.00 0.00 175.55 176.43 2k3t n GLY 2502N 2.87 0.52 0.00 8.97 0.00 -0.39 -4.54 105.19 112.63 2k3t n GLY 2502Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.14 -0.29 0.37 -0.02 0.00 -1.26 -4.98 105.19 97.86 2k3t n GLY 2503Ca -0.03 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.46 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 1.29 -4.42 1.61 -0.04 -1.26 -4.88 135.00 127.30 2k3t n PRO 2504Ca 0.00 -0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 62.81 2k3t n PRO 2504Cb 0.00 -1.29 -0.10 0.00 -0.04 0.00 0.00 33.50 32.08 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 -1.59 3.06 0.39 0.54 2.02 -1.26 -5.01 117.35 115.49 2k3t s TYR 2505Ca 0.06 0.10 -0.27 0.00 -0.37 0.00 0.00 57.07 56.59 2k3t s TYR 2505Cb 0.04 -1.72 -0.10 0.00 -0.40 0.00 0.00 41.96 39.78 2k3t s TYR 2505CO 0.03 0.42 1.39 -1.01 -1.57 0.00 0.00 175.55 174.81 2k3t s HIS 2506N -0.93 2.71 0.89 2.71 3.76 -1.26 -3.09 115.29 120.09 2k3t s HIS 2506Ca 0.15 1.31 -0.13 0.00 -0.15 0.00 0.00 55.06 56.23 2k3t s HIS 2506Cb -0.11 -3.83 0.13 0.00 1.11 0.00 0.00 32.58 29.88 2k3t s HIS 2506CO 0.05 -2.51 1.19 0.96 -0.85 0.00 0.00 174.74 173.58 2k3t s ILE 2507N -1.18 1.98 -0.19 0.60 -5.25 -0.27 -4.73 121.20 112.16 2k3t s ILE 2507Ca 0.55 0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.93 2k3t s ILE 2507Cb -0.42 -2.89 -0.06 0.00 2.95 0.00 0.00 42.46 42.04 2k3t s ILE 2507CO 0.56 0.00 2.20 0.61 -1.79 0.00 0.00 174.94 176.51 2k3t n GLY 2508N -2.94 1.13 0.51 6.27 0.00 -0.91 -1.23 105.19 108.02 2k3t n GLY 2508Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 5.63 0.53 3.82 -0.02 0.00 -1.26 -4.62 105.19 109.26 2k3t n GLY 2509Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.52 7.03 0.53 1.61 0.15 -0.37 -4.30 113.70 115.84 2k3t s SER 2510Ca 0.00 1.58 -0.16 0.00 0.70 0.00 0.00 55.95 58.07 2k3t s SER 2510Cb 0.00 -2.49 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 2k3t s SER 2510CO 0.00 -0.18 1.01 -2.16 1.20 0.00 0.00 173.24 173.11 2k3t s PRO 2511N -2.63 3.78 -0.19 5.44 0.04 -1.26 -4.75 135.00 135.44 2k3t s PRO 2511Ca 0.54 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 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 0.04 -0.06 0.04 0.00 0.00 177.00 176.78 2k3t s PHE 2512N -2.57 3.15 -0.34 0.56 0.40 -0.40 -4.91 117.98 113.88 2k3t s PHE 2512Ca 0.60 -0.13 -0.23 0.00 -0.60 0.00 0.00 56.93 56.57 2k3t s PHE 2512Cb -0.12 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.34 2k3t s PHE 2512CO 0.32 -0.00 0.79 -1.59 0.70 0.00 0.00 175.22 175.44 2k3t s LYS 2513N 0.62 3.85 -0.31 0.44 -2.85 -1.26 -0.82 119.74 119.40 2k3t s LYS 2513Ca 0.02 0.43 -0.09 0.00 -1.00 0.00 0.00 55.97 55.33 2k3t s LYS 2513Cb -0.13 -3.77 0.00 0.00 -2.06 0.00 0.00 37.83 31.86 2k3t s LYS 2513CO 0.02 -0.78 0.13 0.00 0.10 0.00 0.00 175.35 174.82 2k3t s ALA 2514N 3.04 3.19 -0.38 0.59 0.00 0.16 -4.52 121.76 123.84 2k3t s ALA 2514Ca 0.32 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 2k3t s ALA 2514Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2k3t s ALA 2514CO 0.15 -0.95 0.49 0.15 0.00 0.00 0.00 175.76 175.60 2k3t s LYS 2515N 1.56 3.42 0.00 0.00 1.02 -0.47 -0.96 119.74 124.32 2k3t s LYS 2515Ca 0.04 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 55.66 2k3t s LYS 2515Cb -0.17 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.23 2k3t s LYS 2515CO 0.05 -0.74 -0.06 0.08 -0.92 0.00 0.00 175.35 173.76 2k3t s VAL 2516N 2.33 3.69 0.30 3.17 1.01 0.26 -3.30 120.40 127.86 2k3t s VAL 2516Ca 0.16 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2k3t s VAL 2516Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2k3t s VAL 2516CO 0.14 0.39 0.12 0.42 0.00 0.00 0.00 175.10 176.17 2k3t s THR 2517N -1.00 0.57 0.00 3.92 -4.23 -1.19 -1.23 115.64 112.48 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 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.15 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 -0.59 0.91 3.74 3.99 0.00 -1.26 -1.73 105.19 110.26 2k3t n GLY 2518Ca -0.01 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.27 4.55 0.28 1.61 0.04 -1.26 -4.22 135.00 134.73 2k3t s PRO 2519Ca 0.00 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2k3t s PRO 2519Cb 0.00 -3.23 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 2k3t s PRO 2519CO 0.00 0.03 1.52 0.50 0.04 0.00 0.00 177.00 179.09 2k3t s ARG 2520N -0.62 4.19 0.27 4.56 3.52 -1.26 -4.82 118.95 124.79 2k3t s ARG 2520Ca 0.50 2.46 0.13 0.00 -0.13 0.00 0.00 55.73 58.68 2k3t s ARG 2520Cb -0.32 -3.06 0.27 0.00 -1.56 0.00 0.00 34.95 30.28 2k3t s ARG 2520CO 0.38 -0.53 1.54 -0.07 -0.81 0.00 0.00 175.30 175.80 2k3t h LEU 2521N 4.82 0.00 -1.78 -0.88 4.07 -1.56 -3.49 115.31 116.48 2k3t h LEU 2521Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2k3t h LEU 2521Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2k3t h LEU 2521CO 0.78 0.61 0.00 1.33 -1.08 0.00 0.00 178.44 180.08