#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 3.45 -0.02 4.61 0.00 -1.26 -5.04 121.76 123.49 2k3t s ALA -2 Ca 0.00 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 2k3t s ALA -2 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2k3t s ALA -2 CO 0.00 -0.36 0.39 -1.64 0.00 0.00 0.00 175.76 174.15 2k3t s MET -1 N -0.89 3.93 0.36 0.00 -1.94 -1.26 -3.79 119.30 115.71 2k3t s MET -1 Ca 0.50 0.36 -0.11 0.00 -1.71 0.00 0.00 55.69 54.73 2k3t s MET -1 Cb -0.34 -3.24 -0.07 0.00 2.01 0.00 0.00 34.83 33.19 2k3t s MET -1 CO 0.41 0.64 0.73 0.20 -0.01 0.00 0.00 175.02 177.00 2k3t s GLY 2427N -0.90 2.07 0.02 -0.03 0.00 0.02 -4.74 107.32 103.76 2k3t s GLY 2427Ca 0.23 -0.16 0.08 0.00 0.00 0.00 0.00 44.72 44.87 2k3t s GLY 2427CO 0.12 0.02 -0.24 0.99 0.00 0.00 0.00 173.10 173.99 2k3t s ASP 2428N -2.86 2.90 0.52 1.64 1.01 -1.26 -4.82 116.67 113.81 2k3t s ASP 2428Ca 0.51 -0.52 0.27 0.00 0.71 0.00 0.00 52.55 53.52 2k3t s ASP 2428Cb -0.10 -0.28 1.46 0.00 1.01 0.00 0.00 42.92 45.00 2k3t s ASP 2428CO 0.27 0.25 2.08 1.55 0.21 0.00 0.00 175.17 179.53 2k3t h PRO 2429N 5.08 0.00 0.00 8.23 0.13 -1.90 -1.10 132.00 142.44 2k3t h PRO 2429Ca -0.44 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 2k3t h PRO 2429Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2k3t h PRO 2429CO 0.45 0.11 -0.19 0.78 -0.23 0.00 0.00 178.00 178.92 2k3t h GLY 2430N 0.79 0.00 0.66 1.56 0.00 -1.93 -2.33 103.07 101.81 2k3t h GLY 2430Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 2k3t h GLY 2430CO 0.01 0.00 -1.83 1.41 0.00 0.00 0.00 176.54 176.13 2k3t h LEU 2431N 0.00 0.45 -9.85 3.11 -0.00 -1.72 -3.43 115.31 103.87 2k3t h LEU 2431Ca -0.00 -0.92 -0.54 0.00 -0.00 0.00 0.00 57.88 56.42 2k3t h LEU 2431Cb 0.84 -0.15 0.10 0.00 -0.00 0.00 0.00 40.66 41.45 2k3t h LEU 2431CO 0.02 1.80 0.79 0.52 -0.00 0.00 0.00 178.44 181.57 2k3t n VAL 2432N -3.61 1.59 -4.29 1.22 0.31 -0.50 -4.71 118.33 108.34 2k3t n VAL 2432Ca -0.29 -0.40 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 2k3t n VAL 2432Cb 1.02 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 32.00 2k3t n VAL 2432CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k3t n SER 2433N 1.18 1.63 -3.83 4.52 2.88 -1.15 -3.88 113.62 114.97 2k3t n SER 2433Ca 0.05 -2.08 -0.12 0.00 -1.33 0.00 0.00 58.87 55.39 2k3t n SER 2433Cb 0.38 0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.51 -0.47 0.00 -1.46 0.00 -1.26 -0.63 121.76 115.44 2k3t s ALA 2434Ca 0.07 0.17 -0.08 0.00 0.00 0.00 0.00 51.96 52.11 2k3t s ALA 2434Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2k3t s ALA 2434CO 0.05 -0.19 0.16 0.71 0.00 0.00 0.00 175.76 176.49 2k3t s TYR 2435N -0.92 0.01 0.00 0.00 2.02 -0.57 -4.98 117.35 112.91 2k3t s TYR 2435Ca -0.10 -0.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 2k3t s TYR 2435Cb -0.05 -0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.48 2k3t s TYR 2435CO 0.02 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 2k3t n GLY 2436N 1.41 3.29 0.27 0.71 0.00 -1.26 -0.53 105.19 109.07 2k3t n GLY 2436Ca -0.23 -1.96 0.11 0.00 0.00 0.00 0.00 46.02 43.95 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 1.59 0.00 4.61 0.00 -1.83 -2.59 119.26 121.04 2k3t h ALA 2437Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 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 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 2k3t n GLY 2438N -1.16 -1.08 0.20 0.00 0.00 -0.05 -1.09 105.19 102.02 2k3t n GLY 2438Ca -0.03 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.71 -3.34 115.31 114.63 2k3t h LEU 2439Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2k3t h LEU 2439Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2k3t h LEU 2439CO 0.00 0.18 -2.19 -0.62 0.09 0.00 0.00 178.44 175.90 2k3t n GLU 2440N -3.17 0.67 0.00 1.13 1.02 -0.25 -3.36 120.64 116.68 2k3t n GLU 2440Ca 0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2k3t n GLU 2440Cb 0.56 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 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 1.63 -0.57 0.00 0.62 0.00 -0.73 -1.07 105.19 105.08 2k3t n GLY 2441Ca -0.25 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.52 3.81 -0.02 0.00 -1.18 -4.63 105.19 102.65 2k3t n GLY 2442Ca 0.00 -0.92 -0.38 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 -3.29 4.64 0.47 1.61 1.01 -1.26 -1.59 120.40 121.98 2k3t s VAL 2443Ca 0.00 1.29 -0.24 0.00 0.00 0.00 0.00 61.98 63.03 2k3t s VAL 2443Cb 0.00 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.38 2k3t s VAL 2443CO 0.00 0.45 1.35 0.42 0.00 0.00 0.00 175.10 177.33 2k3t s THR 2444N -1.23 2.29 0.00 3.92 -4.23 -0.62 -2.84 115.64 112.93 2k3t s THR 2444Ca 0.34 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 2k3t s THR 2444Cb -0.19 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2k3t s THR 2444CO 0.21 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.92 2k3t n GLY 2445N 0.63 2.43 3.86 3.99 0.00 -0.33 -4.92 105.19 110.85 2k3t n GLY 2445Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.63 6.22 0.45 1.61 2.47 -1.13 -5.00 114.94 115.93 2k3t s ASN 2446Ca 0.00 0.38 -0.21 0.00 0.42 0.00 0.00 52.86 53.45 2k3t s ASN 2446Cb 0.00 -1.96 -0.09 0.00 -1.45 0.00 0.00 41.25 37.75 2k3t s ASN 2446CO 0.00 0.36 1.01 -2.16 -3.72 0.00 0.00 177.10 172.58 2k3t s PRO 2447N -1.32 4.00 0.00 0.43 0.04 -1.26 -4.29 135.00 132.61 2k3t s PRO 2447Ca 0.19 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2k3t s PRO 2447Cb -0.12 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 2k3t s PRO 2447CO 0.09 -0.25 -0.02 0.00 0.04 0.00 0.00 177.00 176.86 2k3t s ALA 2448N -1.99 0.14 0.09 8.56 0.00 -0.08 -4.98 121.76 123.50 2k3t s ALA 2448Ca 0.64 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.50 2k3t s ALA 2448Cb -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 2k3t s ALA 2448CO 0.19 0.01 -0.14 -1.83 0.00 0.00 0.00 175.76 173.98 2k3t s GLU 2449N -0.25 0.91 0.15 0.00 1.03 -1.26 -1.12 118.70 118.15 2k3t s GLU 2449Ca -0.02 -1.09 -0.17 0.00 0.03 0.00 0.00 54.97 53.73 2k3t s GLU 2449Cb -0.02 -0.85 0.03 0.00 -0.80 0.00 0.00 34.13 32.50 2k3t s GLU 2449CO -0.00 0.17 0.44 -0.59 -1.33 0.00 0.00 175.26 173.95 2k3t s PHE 2450N -1.70 -0.17 -0.07 4.83 -0.12 -0.62 -0.87 117.98 119.27 2k3t s PHE 2450Ca 0.03 -0.15 0.05 0.00 -0.05 0.00 0.00 56.93 56.81 2k3t s PHE 2450Cb -0.07 0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.60 2k3t s PHE 2450CO 0.02 -0.77 -0.22 0.54 -0.05 0.00 0.00 175.22 174.75 2k3t s VAL 2451N -3.83 2.35 -0.57 -2.49 0.11 0.31 -0.74 120.40 115.54 2k3t s VAL 2451Ca 0.05 -0.96 -0.22 0.00 -2.93 0.00 0.00 61.98 57.92 2k3t s VAL 2451Cb 0.01 -1.88 0.06 0.00 -1.53 0.00 0.00 36.38 33.03 2k3t s VAL 2451CO -0.09 0.57 0.85 -0.69 -3.33 0.00 0.00 175.10 172.41 2k3t s VAL 2452N -0.19 4.52 -0.31 2.04 1.01 0.61 -1.52 120.40 126.56 2k3t s VAL 2452Ca -0.02 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 2k3t s VAL 2452Cb -0.14 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.73 2k3t s VAL 2452CO 0.03 -1.12 0.68 0.21 0.00 0.00 0.00 175.10 174.90 2k3t s ASN 2453N 3.05 6.54 0.00 3.32 3.04 0.20 -1.93 114.94 129.16 2k3t s ASN 2453Ca 0.23 0.48 0.24 0.00 0.04 0.00 0.00 52.86 53.86 2k3t s ASN 2453Cb -0.16 -2.35 0.27 0.00 -1.54 0.00 0.00 41.25 37.47 2k3t s ASN 2453CO 0.14 -0.53 1.28 0.35 -3.04 0.00 0.00 177.10 175.30 2k3t n THR 2454N 5.46 0.00 0.21 -5.21 -2.24 -1.24 -2.92 114.28 108.33 2k3t n THR 2454Ca 0.00 -0.32 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2k3t n THR 2454Cb 0.49 1.15 0.77 0.00 -2.10 0.00 0.00 70.33 70.64 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 3.04 0.00 1.58 3.42 0.02 -1.90 -0.33 113.55 119.38 2k3t h SER 2455Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3t h SER 2455Cb 0.78 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 2k3t h SER 2455CO 0.00 0.00 -0.06 0.78 -1.14 0.00 0.00 176.83 176.41 2k3t h ASN 2456N 0.00 0.00 0.00 3.07 2.35 -1.84 -3.42 115.58 115.74 2k3t h ASN 2456Ca 0.07 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2k3t h ASN 2456Cb 0.34 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 2k3t h ASN 2456CO -0.00 0.06 -0.51 0.00 -1.65 0.00 0.00 177.43 175.33 2k3t n ALA 2457N -2.12 2.73 0.00 -0.83 0.00 -0.20 -4.88 120.51 115.21 2k3t n ALA 2457Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k3t n ALA 2457Cb 0.47 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 3.07 -0.06 3.82 0.00 0.00 -0.77 -3.87 105.19 107.36 2k3t n GLY 2458Ca -0.04 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 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 3.39 0.00 4.61 0.00 -1.25 -4.41 121.76 122.10 2k3t s ALA 2459Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2k3t s ALA 2459Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2k3t s ALA 2459CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.49 2k3t n GLY 2460N 0.52 1.27 3.83 0.00 0.00 -1.26 -0.80 105.19 108.75 2k3t n GLY 2460Ca -0.01 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 3.15 0.04 4.61 0.00 -1.26 -4.84 121.76 121.46 2k3t s ALA 2461Ca 0.00 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2k3t s ALA 2461Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 2k3t s ALA 2461CO 0.00 0.16 0.02 -1.17 0.00 0.00 0.00 175.76 174.76 2k3t s LEU 2462N -3.22 3.55 -0.19 0.00 2.96 -1.26 -1.00 118.68 119.52 2k3t s LEU 2462Ca 0.59 -0.06 0.23 0.00 -0.22 0.00 0.00 54.13 54.67 2k3t s LEU 2462Cb -0.10 -2.16 0.48 0.00 0.50 0.00 0.00 46.19 44.91 2k3t s LEU 2462CO 0.17 0.23 1.14 -0.24 -1.32 0.00 0.00 176.35 176.33 2k3t n SER 2463N 0.96 1.27 -4.75 3.68 2.88 0.18 -4.97 113.62 112.87 2k3t n SER 2463Ca -0.12 -2.02 -0.41 0.00 -1.33 0.00 0.00 58.87 54.98 2k3t n SER 2463Cb 0.52 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.65 2.12 0.02 2.46 0.11 -1.25 -4.25 120.40 116.96 2k3t s VAL 2464Ca 0.28 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.45 2k3t s VAL 2464Cb 0.34 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 2k3t s VAL 2464CO -0.08 0.02 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.76 2k3t s THR 2465N -0.14 0.42 -0.08 5.04 2.01 -0.45 -4.97 115.64 117.47 2k3t s THR 2465Ca 0.62 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 62.00 2k3t s THR 2465Cb -0.47 -0.44 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2k3t s THR 2465CO 0.49 -0.16 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.46 2k3t s ILE 2466N -0.78 1.54 -0.10 1.82 1.01 -1.26 -0.47 121.20 122.96 2k3t s ILE 2466Ca -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2k3t s ILE 2466Cb -0.06 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.06 2k3t s ILE 2466CO 0.00 0.44 -0.20 -0.62 0.00 0.00 0.00 174.94 174.57 2k3t s ASP 2467N 0.47 2.74 0.00 3.58 2.15 -0.60 -4.97 116.67 120.04 2k3t s ASP 2467Ca -0.15 -0.50 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2k3t s ASP 2467Cb -0.16 -1.25 0.00 0.00 -0.30 0.00 0.00 42.92 41.20 2k3t s ASP 2467CO 0.06 0.09 0.00 0.61 -0.17 0.00 0.00 175.17 175.76 2k3t n GLY 2468N 3.81 2.85 0.18 2.66 0.00 -1.26 -0.43 105.19 113.00 2k3t n GLY 2468Ca -0.20 -1.06 0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.87 -3.45 132.00 128.42 2k3t h PRO 2469Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.00 0.45 -0.23 0.00 0.00 178.00 178.22 2k3t n SER 2470N -2.48 0.00 -4.39 1.44 2.88 -1.26 -4.94 113.62 104.87 2k3t n SER 2470Ca 0.01 -0.81 -0.29 0.00 -1.33 0.00 0.00 58.87 56.45 2k3t n SER 2470Cb 0.20 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.84 2k3t n SER 2470CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2k3t s LYS 2471N -1.42 0.36 0.08 -1.46 1.02 -1.26 -4.95 119.74 112.11 2k3t s LYS 2471Ca 0.00 0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.13 2k3t s LYS 2471Cb 0.00 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2k3t s LYS 2471CO 0.00 -2.68 -0.18 0.14 -0.92 0.00 0.00 175.35 171.71 2k3t s VAL 2472N -3.31 1.49 -0.69 3.17 -7.23 -1.26 -4.28 120.40 108.28 2k3t s VAL 2472Ca 0.68 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.26 2k3t s VAL 2472Cb -0.11 -1.36 0.11 0.00 0.56 0.00 0.00 36.38 35.57 2k3t s VAL 2472CO 0.54 -0.08 0.85 -0.75 -0.31 0.00 0.00 175.10 175.35 2k3t s LYS 2473N -1.73 3.21 -0.03 4.82 2.20 -0.85 -4.96 119.74 122.41 2k3t s LYS 2473Ca 0.04 -1.40 0.03 0.00 -0.36 0.00 0.00 55.97 54.28 2k3t s LYS 2473Cb -0.10 -4.40 -0.03 0.00 -1.51 0.00 0.00 37.83 31.79 2k3t s LYS 2473CO 0.03 -1.63 -0.09 1.41 -0.36 0.00 0.00 175.35 174.72 2k3t s MET 2474N 2.78 2.58 -0.00 4.03 1.75 -1.26 -1.31 119.30 127.86 2k3t s MET 2474Ca 0.18 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 54.01 2k3t s MET 2474Cb -0.18 -2.49 -0.02 0.00 2.84 0.00 0.00 34.83 34.99 2k3t s MET 2474CO 0.03 0.62 -0.18 0.34 -0.65 0.00 0.00 175.02 175.18 2k3t s ASP 2475N -1.12 2.16 0.12 1.11 2.15 -0.07 -5.00 116.67 116.02 2k3t s ASP 2475Ca 0.15 -0.37 0.09 0.00 0.43 0.00 0.00 52.55 52.85 2k3t s ASP 2475Cb -0.11 -0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 42.25 2k3t s ASP 2475CO 0.04 0.20 -0.23 0.00 -0.17 0.00 0.00 175.17 175.02 2k3t s GLN 2477N -2.10 0.66 0.24 0.00 0.74 -0.07 -5.00 119.66 114.13 2k3t s GLN 2477Ca 0.11 0.07 -0.10 0.00 0.05 0.00 0.00 55.36 55.49 2k3t s GLN 2477Cb -0.09 0.30 -0.07 0.00 1.10 0.00 0.00 33.01 34.24 2k3t s GLN 2477CO 0.05 -0.16 0.58 -1.83 -0.55 0.00 0.00 175.29 173.38 2k3t s GLU 2478N -0.87 3.83 0.29 1.67 -1.05 -1.26 -0.84 118.70 120.46 2k3t s GLU 2478Ca -0.09 0.33 -0.20 0.00 -0.15 0.00 0.00 54.97 54.85 2k3t s GLU 2478Cb -0.04 -2.61 0.03 0.00 -0.44 0.00 0.00 34.13 31.07 2k3t s GLU 2478CO 0.04 0.29 0.76 0.00 0.95 0.00 0.00 175.26 177.30 2k3t h PRO 2480N 2.00 0.00 -0.00 0.00 0.11 -2.03 -1.89 132.00 130.18 2k3t h PRO 2480Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 0.28 0.00 -0.07 -1.91 -0.21 0.00 0.00 178.00 176.08 2k3t n GLU 2481N -3.78 0.15 0.00 1.05 4.07 -1.26 -4.89 120.64 115.98 2k3t n GLU 2481Ca -0.01 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2k3t n GLU 2481Cb 0.18 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 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 1.44 0.10 3.53 8.31 0.00 -0.71 -3.66 105.19 114.19 2k3t n GLY 2482Ca 0.09 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.09 3.19 -0.02 1.61 2.02 -0.81 -1.09 117.35 122.15 2k3t s TYR 2483Ca 0.00 -0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.53 2k3t s TYR 2483Cb 0.00 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.71 2k3t s TYR 2483CO 0.00 -0.54 0.28 0.50 -1.57 0.00 0.00 175.55 174.22 2k3t s ARG 2484N 2.14 3.65 0.07 -0.62 3.52 -0.02 -0.29 118.95 127.40 2k3t s ARG 2484Ca 0.13 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.83 2k3t s ARG 2484Cb -0.16 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2k3t s ARG 2484CO 0.13 0.69 -0.10 0.14 -0.81 0.00 0.00 175.30 175.35 2k3t s VAL 2485N -1.17 0.80 -0.04 7.11 -7.23 0.08 -0.89 120.40 119.06 2k3t s VAL 2485Ca 0.23 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2k3t s VAL 2485Cb -0.14 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.75 2k3t s VAL 2485CO 0.12 -0.46 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.47 2k3t s THR 2486N -1.94 0.80 0.02 5.32 2.01 -0.47 -1.58 115.64 119.80 2k3t s THR 2486Ca -0.01 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2k3t s THR 2486Cb -0.06 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 2k3t s THR 2486CO 0.00 0.26 -0.01 -0.72 -0.69 0.00 0.00 174.62 173.46 2k3t s TYR 2487N 0.39 0.21 -0.28 4.92 1.13 -0.28 -0.90 117.35 122.54 2k3t s TYR 2487Ca -0.06 -0.43 -0.06 0.00 -1.41 0.00 0.00 57.07 55.10 2k3t s TYR 2487Cb -0.11 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 2k3t s TYR 2487CO 0.01 -0.18 0.06 0.99 -2.51 0.00 0.00 175.55 173.92 2k3t s THR 2488N -1.30 3.90 0.63 -3.49 2.01 -0.43 -0.90 115.64 116.07 2k3t s THR 2488Ca -0.14 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.11 2k3t s THR 2488Cb -0.09 -2.98 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 2k3t s THR 2488CO -0.01 0.13 1.03 -2.16 -0.69 0.00 0.00 174.62 172.93 2k3t s PRO 2489N 1.50 3.39 0.00 4.92 0.04 -1.26 -2.01 135.00 141.59 2k3t s PRO 2489Ca 0.03 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2k3t s PRO 2489Cb -0.17 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2k3t s PRO 2489CO 0.02 -0.67 0.31 0.00 0.04 0.00 0.00 177.00 176.69 2k3t n MET 2490N -2.79 0.04 -3.87 4.56 0.00 -1.26 -1.19 117.12 112.61 2k3t n MET 2490Ca 0.06 -0.35 -0.11 0.00 0.00 0.00 0.00 57.70 57.29 2k3t n MET 2490Cb 0.55 -0.66 -0.11 0.00 0.00 0.00 0.00 33.22 32.99 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 -0.09 -0.25 0.48 3.17 0.00 -1.26 -1.13 121.76 122.68 2k3t s ALA 2491Ca 0.00 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 2k3t s ALA 2491Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 2k3t s ALA 2491CO 0.00 -0.13 1.08 -1.25 0.00 0.00 0.00 175.76 175.45 2k3t s PRO 2492N -0.76 3.78 0.00 0.00 0.04 -1.26 -4.80 135.00 132.00 2k3t s PRO 2492Ca -0.08 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.46 2k3t s PRO 2492Cb -0.05 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2k3t s PRO 2492CO 0.01 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2k3t n GLY 2493N 0.05 0.86 3.43 0.56 0.00 -0.58 -4.78 105.19 104.74 2k3t n GLY 2493Ca 0.09 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 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 5.27 -0.36 1.61 0.01 -1.26 -0.44 113.70 114.52 2k3t s SER 2494Ca 0.00 -0.36 -0.22 0.00 1.31 0.00 0.00 55.95 56.68 2k3t s SER 2494Cb 0.00 -1.94 0.01 0.00 0.21 0.00 0.00 66.02 64.29 2k3t s SER 2494CO 0.00 -0.10 0.74 -0.31 0.41 0.00 0.00 173.24 173.97 2k3t s TYR 2495N 1.60 3.12 -0.36 2.43 1.51 0.06 -4.20 117.35 121.51 2k3t s TYR 2495Ca 0.05 0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 56.39 2k3t s TYR 2495Cb -0.16 -3.32 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 2k3t s TYR 2495CO 0.04 -0.70 0.63 -1.17 -1.11 0.00 0.00 175.55 173.25 2k3t s LEU 2496N 2.97 4.27 -0.51 -1.29 2.96 0.42 -0.92 118.68 126.59 2k3t s LEU 2496Ca 0.29 0.11 -0.16 0.00 -0.22 0.00 0.00 54.13 54.15 2k3t s LEU 2496Cb -0.14 -2.77 0.11 0.00 0.50 0.00 0.00 46.19 43.89 2k3t s LEU 2496CO 0.16 -0.60 0.46 -0.63 -1.32 0.00 0.00 176.35 174.42 2k3t s ILE 2497N 2.71 5.21 -0.86 6.68 1.01 0.18 -1.56 121.20 134.57 2k3t s ILE 2497Ca 0.24 -1.31 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 2k3t s ILE 2497Cb -0.14 -4.25 0.08 0.00 0.01 0.00 0.00 42.46 38.15 2k3t s ILE 2497CO 0.15 -0.75 1.21 -0.44 0.00 0.00 0.00 174.94 175.10 2k3t s SER 2498N 3.19 6.41 -0.78 3.58 0.01 0.38 -1.37 113.70 125.11 2k3t s SER 2498Ca 0.04 -1.37 -0.22 0.00 1.31 0.00 0.00 55.95 55.71 2k3t s SER 2498Cb -0.27 -2.48 0.09 0.00 0.21 0.00 0.00 66.02 63.56 2k3t s SER 2498CO 0.05 -1.41 1.08 -0.63 0.41 0.00 0.00 173.24 172.74 2k3t s ILE 2499N 4.17 4.38 -0.11 1.44 1.01 -1.26 -1.34 121.20 129.50 2k3t s ILE 2499Ca 0.34 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2k3t s ILE 2499Cb -0.07 -4.76 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 2k3t s ILE 2499CO -0.01 -1.54 0.19 -0.54 0.00 0.00 0.00 174.94 173.03 2k3t s LYS 2500N 3.79 3.60 -0.03 2.79 1.02 -1.26 -1.13 119.74 128.51 2k3t s LYS 2500Ca 0.28 -0.05 -0.14 0.00 0.02 0.00 0.00 55.97 56.08 2k3t s LYS 2500Cb -0.11 -3.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 2k3t s LYS 2500CO 0.02 0.71 0.32 -0.47 -0.92 0.00 0.00 175.35 175.01 2k3t s TYR 2501N -0.88 -0.21 -1.08 3.18 5.04 -0.34 -0.64 117.35 122.42 2k3t s TYR 2501Ca 0.16 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 2k3t s TYR 2501Cb -0.13 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.29 2k3t s TYR 2501CO 0.05 -0.36 0.00 0.41 -1.34 0.00 0.00 175.55 174.31 2k3t n GLY 2502N 1.52 0.40 0.00 8.97 0.00 -0.17 -4.22 105.19 111.69 2k3t n GLY 2502Ca -0.20 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.22 -0.02 1.27 -0.02 0.00 -1.26 -4.85 105.19 99.09 2k3t n GLY 2503Ca -0.13 -2.25 -0.02 0.00 0.00 0.00 0.00 46.02 43.62 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 1.11 -4.60 1.61 -0.04 -1.26 -4.71 135.00 127.11 2k3t n PRO 2504Ca 0.00 -0.23 -0.33 0.00 -0.04 0.00 0.00 63.50 62.90 2k3t n PRO 2504Cb 0.00 -1.09 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 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 -0.26 2.81 0.34 0.54 2.02 -1.26 -4.94 117.35 116.60 2k3t s TYR 2505Ca 0.04 -0.83 -0.29 0.00 -0.37 0.00 0.00 57.07 55.63 2k3t s TYR 2505Cb 0.04 -1.89 -0.12 0.00 -0.40 0.00 0.00 41.96 39.59 2k3t s TYR 2505CO 0.00 -0.35 1.42 0.72 -1.57 0.00 0.00 175.55 175.77 2k3t n HIS 2506N 3.86 2.60 -1.14 2.71 8.25 -1.26 -1.20 115.22 129.04 2k3t n HIS 2506Ca -0.18 0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 57.44 2k3t n HIS 2506Cb 0.52 -2.49 0.16 0.00 1.12 0.00 0.00 29.99 29.30 2k3t n HIS 2506CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2k3t s ILE 2507N -0.84 2.37 0.64 1.59 -4.36 -0.29 -4.74 121.20 115.58 2k3t s ILE 2507Ca 0.57 0.12 0.39 0.00 -0.26 0.00 0.00 60.65 61.47 2k3t s ILE 2507Cb -0.53 -2.57 0.41 0.00 1.25 0.00 0.00 42.46 41.02 2k3t s ILE 2507CO 0.60 -0.16 2.33 1.23 0.24 0.00 0.00 174.94 179.17 2k3t h GLY 2508N -1.76 0.00 -1.26 6.27 0.00 -1.53 -0.52 103.07 104.27 2k3t h GLY 2508Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2k3t h GLY 2508CO 0.55 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.67 2k3t n GLY 2509N -1.17 0.18 3.86 4.60 0.00 -1.26 -5.05 105.19 106.34 2k3t n GLY 2509Ca -0.03 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.41 6.74 0.49 1.61 0.15 -0.21 -4.28 113.70 116.81 2k3t s SER 2510Ca 0.19 1.10 -0.18 0.00 0.70 0.00 0.00 55.95 57.75 2k3t s SER 2510Cb 0.14 -2.30 -0.08 0.00 -1.71 0.00 0.00 66.02 62.06 2k3t s SER 2510CO 0.22 -0.08 0.99 -2.16 1.20 0.00 0.00 173.24 173.42 2k3t s PRO 2511N -2.65 3.93 -0.20 5.44 0.04 -1.26 -4.78 135.00 135.52 2k3t s PRO 2511Ca 0.47 1.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 2k3t s PRO 2511Cb -0.12 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 2k3t s PRO 2511CO 0.20 -0.29 0.09 -0.06 0.04 0.00 0.00 177.00 176.98 2k3t s PHE 2512N -2.35 3.30 -0.61 0.56 0.40 -0.47 -4.89 117.98 113.91 2k3t s PHE 2512Ca 0.62 0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 56.89 2k3t s PHE 2512Cb -0.11 -2.13 0.09 0.00 0.51 0.00 0.00 43.02 41.37 2k3t s PHE 2512CO 0.24 0.16 0.80 -1.59 0.70 0.00 0.00 175.22 175.54 2k3t s LYS 2513N 0.51 3.08 -0.36 0.44 -2.85 -1.26 -0.65 119.74 118.65 2k3t s LYS 2513Ca 0.05 -1.10 -0.22 0.00 -1.00 0.00 0.00 55.97 53.70 2k3t s LYS 2513Cb -0.12 -4.24 0.01 0.00 -2.06 0.00 0.00 37.83 31.41 2k3t s LYS 2513CO 0.00 -1.63 0.74 0.00 0.10 0.00 0.00 175.35 174.56 2k3t s ALA 2514N 3.23 3.44 -0.28 0.59 0.00 -0.09 -4.67 121.76 123.97 2k3t s ALA 2514Ca 0.16 -0.70 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 2k3t s ALA 2514Cb -0.21 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2k3t s ALA 2514CO 0.08 -1.43 0.37 0.15 0.00 0.00 0.00 175.76 174.93 2k3t s LYS 2515N 2.99 3.93 -0.05 0.00 1.02 -0.23 -0.76 119.74 126.63 2k3t s LYS 2515Ca 0.29 -0.04 0.03 0.00 0.02 0.00 0.00 55.97 56.27 2k3t s LYS 2515Cb -0.14 -3.68 -0.03 0.00 -0.52 0.00 0.00 37.83 33.46 2k3t s LYS 2515CO 0.16 -0.33 -0.13 0.08 -0.92 0.00 0.00 175.35 174.21 2k3t s VAL 2516N 2.07 3.19 0.35 3.17 1.01 0.41 -3.08 120.40 127.53 2k3t s VAL 2516Ca 0.14 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2k3t s VAL 2516Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2k3t s VAL 2516CO 0.10 0.59 0.10 0.42 0.00 0.00 0.00 175.10 176.31 2k3t s THR 2517N -0.76 0.83 0.00 3.92 -4.23 -0.62 -1.52 115.64 113.26 2k3t s THR 2517Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2k3t s THR 2517Cb -0.11 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2k3t s THR 2517CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 2k3t n GLY 2518N -0.76 -1.93 3.79 3.99 0.00 -1.26 -1.59 105.19 107.43 2k3t n GLY 2518Ca -0.04 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.11 2.83 -0.25 1.61 0.04 -1.26 -4.45 135.00 133.42 2k3t s PRO 2519Ca 0.00 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 2k3t s PRO 2519Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2k3t s PRO 2519CO 0.00 -1.20 0.74 0.50 0.04 0.00 0.00 177.00 177.08 2k3t s ARG 2520N -4.52 4.15 0.22 4.56 3.52 -1.26 -4.46 118.95 121.17 2k3t s ARG 2520Ca 0.62 0.76 0.24 0.00 -0.13 0.00 0.00 55.73 57.23 2k3t s ARG 2520Cb -0.17 -3.64 0.38 0.00 -1.56 0.00 0.00 34.95 29.96 2k3t s ARG 2520CO 0.47 -0.46 1.43 -0.07 -0.81 0.00 0.00 175.30 175.86 2k3t h LEU 2521N 9.04 0.00 0.00 -0.88 4.07 -1.53 -3.50 115.31 122.51 2k3t h LEU 2521Ca -0.25 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2k3t h LEU 2521Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 2k3t h LEU 2521CO 0.83 0.04 0.00 0.52 -1.08 0.00 0.00 178.44 178.75