#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3t h ALA -2 N 0.00 1.00 0.00 4.61 0.00 -1.93 -3.29 119.26 119.64 2k3t h ALA -2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k3t h ALA -2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3t h ALA -2 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 2k3t n MET -1 N -2.35 0.08 -3.64 0.00 0.00 -1.26 -4.72 117.12 105.22 2k3t n MET -1 Ca 0.04 0.22 -0.05 0.00 0.00 0.00 0.00 57.70 57.90 2k3t n MET -1 Cb 0.35 -1.63 -0.06 0.00 0.00 0.00 0.00 33.22 31.88 2k3t n MET -1 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2k3t s GLY 2427N -3.21 -0.67 -0.20 3.03 0.00 -0.97 -1.25 107.32 104.05 2k3t s GLY 2427Ca 0.09 2.39 -0.10 0.00 0.00 0.00 0.00 44.72 47.11 2k3t s GLY 2427CO 0.42 2.62 0.12 -0.35 0.00 0.00 0.00 173.10 175.91 2k3t s ASP 2428N 2.06 6.10 0.57 1.64 -1.08 -1.26 -4.75 116.67 119.95 2k3t s ASP 2428Ca -0.09 0.20 0.25 0.00 -0.52 0.00 0.00 52.55 52.40 2k3t s ASP 2428Cb -0.07 -2.07 1.58 0.00 -1.46 0.00 0.00 42.92 40.90 2k3t s ASP 2428CO -0.20 0.18 2.14 -0.65 0.52 0.00 0.00 175.17 177.17 2k3t h PRO 2429N 6.69 0.00 0.00 4.34 0.11 -1.89 -1.50 132.00 139.75 2k3t h PRO 2429Ca -0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 2k3t h PRO 2429Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2k3t h PRO 2429CO 0.75 0.00 -0.34 0.78 -0.21 0.00 0.00 178.00 178.98 2k3t h GLY 2430N 0.00 0.00 1.62 -0.55 0.00 -1.92 -1.75 103.07 100.47 2k3t h GLY 2430Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.14 2k3t h GLY 2430CO -0.00 0.00 -1.26 1.41 0.00 0.00 0.00 176.54 176.69 2k3t h LEU 2431N 0.00 0.12 -9.75 3.11 -0.00 -1.70 -3.43 115.31 103.65 2k3t h LEU 2431Ca -0.00 -0.15 -0.52 0.00 -0.00 0.00 0.00 57.88 57.21 2k3t h LEU 2431Cb 1.26 -0.04 0.04 0.00 -0.00 0.00 0.00 40.66 41.92 2k3t h LEU 2431CO 0.04 1.12 0.64 -0.69 -0.00 0.00 0.00 178.44 179.55 2k3t s VAL 2432N -2.66 3.06 0.01 1.22 1.01 -0.65 -4.45 120.40 117.94 2k3t s VAL 2432Ca -0.02 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2k3t s VAL 2432Cb 0.09 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2k3t s VAL 2432CO 0.83 0.17 -0.02 -0.44 0.00 0.00 0.00 175.10 175.65 2k3t s SER 2433N -0.02 0.13 0.14 3.32 0.01 -1.21 -3.23 113.70 112.84 2k3t s SER 2433Ca 0.53 -0.25 -0.07 0.00 1.31 0.00 0.00 55.95 57.47 2k3t s SER 2433Cb -0.37 0.05 -0.06 0.00 0.21 0.00 0.00 66.02 65.85 2k3t s SER 2433CO 0.43 -0.15 0.41 0.00 0.41 0.00 0.00 173.24 174.35 2k3t s ALA 2434N -0.72 3.73 -0.00 1.44 0.00 -1.26 -1.34 121.76 123.61 2k3t s ALA 2434Ca -0.08 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 2k3t s ALA 2434Cb -0.05 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 2k3t s ALA 2434CO -0.00 0.61 0.08 0.71 0.00 0.00 0.00 175.76 177.16 2k3t s TYR 2435N -1.61 0.07 0.00 0.00 2.02 -0.16 -4.96 117.35 112.71 2k3t s TYR 2435Ca 0.40 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2k3t s TYR 2435Cb -0.12 -0.07 0.00 0.00 -0.40 0.00 0.00 41.96 41.37 2k3t s TYR 2435CO 0.22 -0.21 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 2k3t n GLY 2436N 1.84 3.19 0.24 0.71 0.00 -1.26 -0.49 105.19 109.42 2k3t n GLY 2436Ca -0.21 -1.99 0.08 0.00 0.00 0.00 0.00 46.02 43.90 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 1.68 0.00 4.61 0.00 -1.88 -2.97 119.26 120.70 2k3t h ALA 2437Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k3t h ALA 2437Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k3t h ALA 2437CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2k3t n GLY 2438N -1.09 -1.00 0.13 0.00 0.00 -0.28 -1.26 105.19 101.69 2k3t n GLY 2438Ca -0.03 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.04 0.99 3.38 -1.78 -3.31 115.31 114.63 2k3t h LEU 2439Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2k3t h LEU 2439Cb 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 2k3t h LEU 2439CO 0.00 0.64 -1.68 -0.33 0.09 0.00 0.00 178.44 177.16 2k3t h GLU 2440N 0.00 0.08 0.00 1.13 4.39 -1.38 -3.17 114.58 115.63 2k3t h GLU 2440Ca -0.01 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2k3t h GLU 2440Cb 1.31 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2k3t h GLU 2440CO 0.08 0.74 0.00 0.41 -1.16 0.00 0.00 179.01 179.08 2k3t n GLY 2441N 1.63 0.27 0.00 -3.84 0.00 -0.84 -1.63 105.19 100.78 2k3t n GLY 2441Ca -0.18 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 0.62 3.78 -0.02 0.00 -1.18 -4.42 105.19 103.97 2k3t n GLY 2442Ca 0.00 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 -3.02 4.90 0.44 1.61 1.01 -1.26 -2.60 120.40 121.47 2k3t s VAL 2443Ca 0.00 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 2k3t s VAL 2443Cb 0.00 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 2k3t s VAL 2443CO 0.00 0.46 1.11 0.42 0.00 0.00 0.00 175.10 177.09 2k3t s THR 2444N -0.43 3.40 0.00 3.92 -4.23 -0.43 -3.13 115.64 114.74 2k3t s THR 2444Ca 0.29 1.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.84 2k3t s THR 2444Cb -0.18 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2k3t s THR 2444CO 0.17 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 2k3t n GLY 2445N 0.34 2.74 3.88 3.99 0.00 -0.52 -4.68 105.19 110.94 2k3t n GLY 2445Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.62 6.04 0.30 1.61 0.01 -1.18 -4.99 114.94 113.10 2k3t s ASN 2446Ca 0.00 0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.97 2k3t s ASN 2446Cb 0.00 -1.75 -0.10 0.00 0.41 0.00 0.00 41.25 39.81 2k3t s ASN 2446CO 0.00 0.11 1.16 -2.16 -1.51 0.00 0.00 177.10 174.70 2k3t s PRO 2447N -2.83 4.52 -0.09 -0.60 0.04 -1.26 -4.42 135.00 130.36 2k3t s PRO 2447Ca 0.33 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.33 2k3t s PRO 2447Cb -0.12 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 2k3t s PRO 2447CO 0.26 0.07 -0.22 0.00 0.04 0.00 0.00 177.00 177.14 2k3t s ALA 2448N -1.18 2.03 0.00 8.56 0.00 0.25 -4.97 121.76 126.46 2k3t s ALA 2448Ca 0.47 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2k3t s ALA 2448Cb -0.34 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2k3t s ALA 2448CO 0.44 0.29 -0.15 -2.00 0.00 0.00 0.00 175.76 174.34 2k3t s GLU 2449N 0.28 1.17 0.15 0.00 2.12 -1.26 -1.16 118.70 120.00 2k3t s GLU 2449Ca -0.15 -0.60 -0.18 0.00 0.36 0.00 0.00 54.97 54.40 2k3t s GLU 2449Cb -0.17 -1.15 0.04 0.00 0.26 0.00 0.00 34.13 33.11 2k3t s GLU 2449CO 0.07 0.31 0.47 -0.59 -0.54 0.00 0.00 175.26 174.98 2k3t s PHE 2450N -0.47 -0.23 -0.04 5.30 -0.12 -0.71 -1.12 117.98 120.59 2k3t s PHE 2450Ca 0.05 -0.08 0.06 0.00 -0.05 0.00 0.00 56.93 56.92 2k3t s PHE 2450Cb -0.06 0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2k3t s PHE 2450CO -0.00 -0.79 -0.23 0.54 -0.05 0.00 0.00 175.22 174.70 2k3t s VAL 2451N -3.82 2.32 -0.56 -2.49 0.11 0.35 -0.89 120.40 115.43 2k3t s VAL 2451Ca 0.04 -1.00 -0.18 0.00 -2.93 0.00 0.00 61.98 57.91 2k3t s VAL 2451Cb 0.01 -1.84 0.10 0.00 -1.53 0.00 0.00 36.38 33.11 2k3t s VAL 2451CO -0.10 0.58 0.64 -0.69 -3.33 0.00 0.00 175.10 172.20 2k3t s VAL 2452N -0.55 4.92 -0.23 2.04 1.01 0.50 -0.99 120.40 127.10 2k3t s VAL 2452Ca 0.08 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 2k3t s VAL 2452Cb -0.11 -4.41 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 2k3t s VAL 2452CO 0.00 -0.99 0.89 0.21 0.00 0.00 0.00 175.10 175.21 2k3t s ASN 2453N 3.38 6.92 0.00 3.32 3.84 -0.45 -2.50 114.94 129.45 2k3t s ASN 2453Ca 0.10 1.15 0.22 0.00 0.21 0.00 0.00 52.86 54.54 2k3t s ASN 2453Cb -0.24 -2.47 -0.02 0.00 -0.55 0.00 0.00 41.25 37.97 2k3t s ASN 2453CO 0.07 -0.55 1.07 0.35 -2.79 0.00 0.00 177.10 175.25 2k3t n THR 2454N 5.23 0.00 -0.02 -5.21 -2.24 -1.26 -3.31 114.28 107.48 2k3t n THR 2454Ca 0.07 -0.20 0.11 0.00 -2.27 0.00 0.00 64.05 61.76 2k3t n THR 2454Cb 0.47 1.16 0.52 0.00 -2.10 0.00 0.00 70.33 70.38 2k3t n THR 2454CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2k3t h SER 2455N 1.85 0.31 1.32 3.42 0.02 -1.85 -0.19 113.55 118.43 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 0.69 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2k3t h SER 2455CO 0.00 0.20 -0.27 0.78 -1.14 0.00 0.00 176.83 176.40 2k3t h ASN 2456N 0.36 0.00 0.00 3.07 4.21 -1.83 -3.39 115.58 118.00 2k3t h ASN 2456Ca 0.22 -0.07 -0.36 0.00 1.21 0.00 0.00 56.30 57.30 2k3t h ASN 2456Cb 0.40 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.53 2k3t h ASN 2456CO -0.05 0.03 -2.31 0.00 -1.29 0.00 0.00 177.43 173.81 2k3t n ALA 2457N -1.87 1.49 0.00 -0.83 0.00 -0.23 -4.89 120.51 114.19 2k3t n ALA 2457Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2k3t n ALA 2457Cb 0.46 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2k3t n ALA 2457CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k3t n GLY 2458N 2.20 1.19 3.20 0.00 0.00 -0.35 -4.18 105.19 107.25 2k3t n GLY 2458Ca -0.42 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.97 -0.64 0.00 4.61 0.00 -0.38 -4.68 121.76 118.69 2k3t s ALA 2459Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2k3t s ALA 2459Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2k3t s ALA 2459CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2k3t n GLY 2460N 1.34 0.85 3.78 0.00 0.00 -1.26 -2.28 105.19 107.61 2k3t n GLY 2460Ca -0.22 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.45 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 3.33 -0.02 4.61 0.00 -1.26 -4.88 121.76 121.54 2k3t s ALA 2461Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.39 2k3t s ALA 2461Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2k3t s ALA 2461CO 0.00 0.23 0.13 -1.17 0.00 0.00 0.00 175.76 174.96 2k3t s LEU 2462N -1.64 4.15 -0.30 0.00 2.96 -1.26 -1.07 118.68 121.53 2k3t s LEU 2462Ca 0.44 0.27 0.19 0.00 -0.22 0.00 0.00 54.13 54.81 2k3t s LEU 2462Cb -0.21 -2.41 0.48 0.00 0.50 0.00 0.00 46.19 44.55 2k3t s LEU 2462CO 0.26 0.28 1.04 -0.24 -1.32 0.00 0.00 176.35 176.37 2k3t n SER 2463N 1.16 1.79 -4.74 3.68 2.88 0.07 -4.98 113.62 113.46 2k3t n SER 2463Ca -0.13 -2.49 -0.41 0.00 -1.33 0.00 0.00 58.87 54.51 2k3t n SER 2463Cb 0.53 -0.50 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 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 -3.60 2.74 0.03 2.46 0.11 -1.25 -4.01 120.40 116.88 2k3t s VAL 2464Ca 0.29 0.62 0.04 0.00 -2.93 0.00 0.00 61.98 60.00 2k3t s VAL 2464Cb 0.39 -3.39 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 2k3t s VAL 2464CO -0.01 0.10 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.84 2k3t s THR 2465N 0.03 1.01 -0.15 5.04 2.01 -0.46 -4.97 115.64 118.14 2k3t s THR 2465Ca 0.59 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2k3t s THR 2465Cb -0.41 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.21 2k3t s THR 2465CO 0.42 0.03 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.60 2k3t s ILE 2466N -0.75 1.64 0.38 1.82 1.01 -1.26 -0.33 121.20 123.70 2k3t s ILE 2466Ca 0.01 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.05 2k3t s ILE 2466Cb -0.07 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2k3t s ILE 2466CO 0.01 0.47 0.43 -1.81 0.00 0.00 0.00 174.94 174.04 2k3t s ASP 2467N 1.37 5.51 0.00 3.58 1.01 -0.41 -4.87 116.67 122.86 2k3t s ASP 2467Ca 0.03 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.84 2k3t s ASP 2467Cb -0.13 -0.86 0.00 0.00 1.01 0.00 0.00 42.92 42.93 2k3t s ASP 2467CO -0.09 -0.55 0.00 0.61 0.21 0.00 0.00 175.17 175.34 2k3t n GLY 2468N -1.61 -1.09 0.16 0.21 0.00 -1.26 -0.82 105.19 100.77 2k3t n GLY 2468Ca 0.03 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.66 1.61 0.13 -1.90 -3.46 132.00 124.72 2k3t h PRO 2469Ca 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 2k3t h PRO 2469Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2k3t h PRO 2469CO 0.00 0.00 0.01 -1.12 -0.23 0.00 0.00 178.00 176.66 2k3t s SER 2470N -4.56 0.59 1.05 1.44 0.01 -1.26 -5.03 113.70 105.94 2k3t s SER 2470Ca 0.04 -1.38 -0.14 0.00 1.31 0.00 0.00 55.95 55.79 2k3t s SER 2470Cb 0.09 0.75 0.22 0.00 0.21 0.00 0.00 66.02 67.29 2k3t s SER 2470CO 0.44 -1.48 1.09 -1.59 0.41 0.00 0.00 173.24 172.10 2k3t s LYS 2471N -2.66 0.00 0.05 12.44 -2.85 -1.26 -4.95 119.74 120.51 2k3t s LYS 2471Ca 0.24 0.41 0.05 0.00 -1.00 0.00 0.00 55.97 55.67 2k3t s LYS 2471Cb -0.02 -1.70 -0.02 0.00 -2.06 0.00 0.00 37.83 34.02 2k3t s LYS 2471CO 0.17 -3.00 -0.13 0.14 0.10 0.00 0.00 175.35 172.63 2k3t s VAL 2472N -2.95 1.05 -1.25 1.79 -7.23 -1.26 -4.00 120.40 106.55 2k3t s VAL 2472Ca 0.66 -1.09 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 2k3t s VAL 2472Cb -0.18 -0.98 0.07 0.00 0.56 0.00 0.00 36.38 35.86 2k3t s VAL 2472CO 0.58 -0.10 2.54 0.29 -0.31 0.00 0.00 175.10 178.10 2k3t n LYS 2473N 1.68 4.19 -2.61 4.82 5.02 -0.92 -4.91 118.16 125.43 2k3t n LYS 2473Ca -0.19 -3.11 -0.41 0.00 -2.02 0.00 0.00 58.31 52.58 2k3t n LYS 2473Cb 0.55 -2.59 -0.04 0.00 -0.02 0.00 0.00 35.03 32.92 2k3t n LYS 2473CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2k3t s MET 2474N -0.69 4.63 0.03 1.97 1.75 -1.26 -3.75 119.30 121.98 2k3t s MET 2474Ca 0.57 1.60 0.04 0.00 -1.25 0.00 0.00 55.69 56.65 2k3t s MET 2474Cb 0.21 -3.33 -0.02 0.00 2.84 0.00 0.00 34.83 34.53 2k3t s MET 2474CO -0.10 0.12 -0.13 0.34 -0.65 0.00 0.00 175.02 174.59 2k3t s ASP 2475N 0.02 1.56 0.06 1.11 2.15 -0.15 -4.99 116.67 116.44 2k3t s ASP 2475Ca 0.49 -0.41 0.06 0.00 0.43 0.00 0.00 52.55 53.13 2k3t s ASP 2475Cb -0.27 -0.11 -0.03 0.00 -0.30 0.00 0.00 42.92 42.22 2k3t s ASP 2475CO 0.32 0.05 -0.18 0.00 -0.17 0.00 0.00 175.17 175.19 2k3t s GLN 2477N -1.49 0.47 0.10 0.00 0.74 -0.49 -5.02 119.66 113.97 2k3t s GLN 2477Ca 0.04 0.65 -0.30 0.00 0.05 0.00 0.00 55.36 55.80 2k3t s GLN 2477Cb -0.09 0.16 -0.06 0.00 1.10 0.00 0.00 33.01 34.12 2k3t s GLN 2477CO 0.02 -0.09 1.12 -1.83 -0.55 0.00 0.00 175.29 173.97 2k3t s GLU 2478N 0.58 4.52 0.25 1.67 1.03 -1.26 -1.13 118.70 124.37 2k3t s GLU 2478Ca -0.03 1.69 0.02 0.00 0.03 0.00 0.00 54.97 56.68 2k3t s GLU 2478Cb -0.05 -3.34 -0.05 0.00 -0.80 0.00 0.00 34.13 29.90 2k3t s GLU 2478CO -0.04 -0.09 0.08 0.00 -1.33 0.00 0.00 175.26 173.89 2k3t h PRO 2480N 2.40 0.00 0.00 0.00 0.11 -2.03 -1.03 132.00 131.45 2k3t h PRO 2480Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k3t h PRO 2480Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k3t h PRO 2480CO 0.62 0.00 0.00 -1.91 -0.21 0.00 0.00 178.00 176.50 2k3t n GLU 2481N -4.05 0.52 0.00 1.05 4.07 -1.26 -4.86 120.64 116.10 2k3t n GLU 2481Ca 0.02 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2k3t n GLU 2481Cb 0.33 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.21 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 0.76 -1.26 3.64 8.31 0.00 -0.39 -4.15 105.19 112.10 2k3t n GLY 2482Ca 0.15 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 2.33 -0.04 1.61 2.02 -1.04 -1.35 117.35 120.88 2k3t s TYR 2483Ca 0.00 0.64 -0.06 0.00 -0.37 0.00 0.00 57.07 57.28 2k3t s TYR 2483Cb 0.00 -3.88 -0.04 0.00 -0.40 0.00 0.00 41.96 37.63 2k3t s TYR 2483CO 0.00 -2.59 0.21 0.50 -1.57 0.00 0.00 175.55 172.10 2k3t s ARG 2484N 4.30 3.51 0.06 -0.62 3.52 -0.28 -0.37 118.95 129.07 2k3t s ARG 2484Ca 0.66 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 56.16 2k3t s ARG 2484Cb -0.24 -3.13 -0.03 0.00 -1.56 0.00 0.00 34.95 30.00 2k3t s ARG 2484CO 0.26 0.70 -0.11 0.14 -0.81 0.00 0.00 175.30 175.47 2k3t s VAL 2485N -1.21 0.87 -0.02 7.11 -7.23 -0.07 -1.40 120.40 118.45 2k3t s VAL 2485Ca 0.23 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2k3t s VAL 2485Cb -0.13 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 35.94 2k3t s VAL 2485CO 0.13 -0.29 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.67 2k3t s THR 2486N -1.32 0.62 0.02 5.32 2.01 -0.63 -1.74 115.64 119.92 2k3t s THR 2486Ca -0.05 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 2k3t s THR 2486Cb -0.10 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 2k3t s THR 2486CO 0.01 0.21 0.01 -0.72 -0.69 0.00 0.00 174.62 173.44 2k3t s TYR 2487N 0.26 0.23 -0.24 4.92 1.13 -0.31 -0.97 117.35 122.38 2k3t s TYR 2487Ca -0.03 -0.49 -0.01 0.00 -1.41 0.00 0.00 57.07 55.12 2k3t s TYR 2487Cb -0.08 -0.17 0.02 0.00 -1.10 0.00 0.00 41.96 40.63 2k3t s TYR 2487CO 0.00 -0.23 -0.08 0.99 -2.51 0.00 0.00 175.55 173.72 2k3t s THR 2488N -1.69 2.82 0.08 -3.49 2.01 -1.25 -0.58 115.64 113.55 2k3t s THR 2488Ca -0.14 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 2k3t s THR 2488Cb -0.08 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 2k3t s THR 2488CO -0.01 0.26 0.85 -2.16 -0.69 0.00 0.00 174.62 172.87 2k3t s PRO 2489N 1.33 4.59 0.00 4.92 0.04 -1.26 -2.18 135.00 142.45 2k3t s PRO 2489Ca 0.01 1.24 0.23 0.00 0.04 0.00 0.00 61.00 62.53 2k3t s PRO 2489Cb -0.16 -3.36 0.44 0.00 0.04 0.00 0.00 34.50 31.45 2k3t s PRO 2489CO -0.05 0.27 1.40 0.00 0.04 0.00 0.00 177.00 178.66 2k3t n MET 2490N 2.70 2.33 -3.68 4.56 0.00 -1.26 -1.43 117.12 120.35 2k3t n MET 2490Ca -0.01 -1.98 -0.15 0.00 0.00 0.00 0.00 57.70 55.56 2k3t n MET 2490Cb 0.50 -1.48 -0.08 0.00 0.00 0.00 0.00 33.22 32.15 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 -1.69 -1.16 0.57 3.17 0.00 -1.26 -0.77 121.76 120.62 2k3t s ALA 2491Ca 0.35 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 2k3t s ALA 2491Cb 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 2k3t s ALA 2491CO 0.31 -0.29 1.06 -1.25 0.00 0.00 0.00 175.76 175.59 2k3t s PRO 2492N -1.07 3.40 0.00 0.00 0.04 -1.26 -4.89 135.00 131.21 2k3t s PRO 2492Ca -0.11 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2k3t s PRO 2492Cb -0.03 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k3t s PRO 2492CO 0.06 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2k3t n GLY 2493N -0.75 0.68 3.20 0.56 0.00 -0.52 -4.87 105.19 103.49 2k3t n GLY 2493Ca 0.09 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 3.37 -0.22 1.61 0.01 -1.26 -0.55 113.70 112.66 2k3t s SER 2494Ca 0.00 -0.55 -0.08 0.00 1.31 0.00 0.00 55.95 56.62 2k3t s SER 2494Cb 0.00 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 2k3t s SER 2494CO 0.00 0.06 0.10 -0.31 0.41 0.00 0.00 173.24 173.50 2k3t s TYR 2495N 0.93 3.23 -0.48 2.43 1.51 -0.25 -4.26 117.35 120.46 2k3t s TYR 2495Ca -0.04 0.00 -0.19 0.00 -1.01 0.00 0.00 57.07 55.84 2k3t s TYR 2495Cb -0.15 -2.18 0.05 0.00 -0.11 0.00 0.00 41.96 39.57 2k3t s TYR 2495CO -0.03 -0.00 0.57 -1.17 -1.11 0.00 0.00 175.55 173.80 2k3t s LEU 2496N 0.91 4.96 -0.57 -1.29 2.96 0.00 -2.12 118.68 123.53 2k3t s LEU 2496Ca 0.05 -0.85 -0.21 0.00 -0.22 0.00 0.00 54.13 52.90 2k3t s LEU 2496Cb -0.14 -2.44 0.07 0.00 0.50 0.00 0.00 46.19 44.18 2k3t s LEU 2496CO 0.03 -0.80 0.80 -0.63 -1.32 0.00 0.00 176.35 174.43 2k3t s ILE 2497N 2.46 4.61 -0.83 6.68 1.01 0.28 -1.29 121.20 134.12 2k3t s ILE 2497Ca 0.14 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.25 2k3t s ILE 2497Cb -0.19 -4.49 0.16 0.00 0.01 0.00 0.00 42.46 37.95 2k3t s ILE 2497CO 0.12 -1.11 0.91 -0.55 0.00 0.00 0.00 174.94 174.31 2k3t s SER 2498N 3.16 6.60 -0.90 3.58 0.15 0.55 -1.58 113.70 125.27 2k3t s SER 2498Ca 0.20 -2.19 -0.18 0.00 0.70 0.00 0.00 55.95 54.48 2k3t s SER 2498Cb -0.18 -2.31 0.15 0.00 -1.71 0.00 0.00 66.02 61.97 2k3t s SER 2498CO 0.12 -0.88 1.05 -0.63 1.20 0.00 0.00 173.24 174.10 2k3t s ILE 2499N 1.68 4.89 0.11 6.45 1.01 -1.26 -1.35 121.20 132.73 2k3t s ILE 2499Ca 0.23 -1.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.00 2k3t s ILE 2499Cb -0.10 -4.71 -0.07 0.00 0.01 0.00 0.00 42.46 37.58 2k3t s ILE 2499CO -0.06 -1.41 0.55 -0.54 0.00 0.00 0.00 174.94 173.48 2k3t s LYS 2500N 2.23 4.06 -0.03 2.79 1.02 -1.26 -1.60 119.74 126.95 2k3t s LYS 2500Ca 0.29 0.58 -0.13 0.00 0.02 0.00 0.00 55.97 56.74 2k3t s LYS 2500Cb -0.06 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2k3t s LYS 2500CO -0.09 0.55 0.28 -0.47 -0.92 0.00 0.00 175.35 174.70 2k3t s TYR 2501N -1.32 -0.18 -1.00 3.18 5.04 -0.62 -0.75 117.35 121.71 2k3t s TYR 2501Ca 0.34 0.32 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2k3t s TYR 2501Cb -0.17 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.22 2k3t s TYR 2501CO 0.19 -0.33 0.00 0.41 -1.34 0.00 0.00 175.55 174.48 2k3t n GLY 2502N 1.63 1.01 0.00 8.97 0.00 -0.23 -4.32 105.19 112.24 2k3t n GLY 2502Ca -0.20 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.68 0.80 1.42 -0.02 0.00 -1.26 -1.95 105.19 103.49 2k3t n GLY 2503Ca -0.09 -2.02 -0.06 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.14 1.29 -4.97 1.61 -0.04 -1.26 -4.84 135.00 126.65 2k3t n PRO 2504Ca 0.00 -0.64 -0.27 0.00 -0.04 0.00 0.00 63.50 62.55 2k3t n PRO 2504Cb 0.00 -1.25 -0.16 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.72 1.83 0.48 0.54 2.02 -1.26 -4.97 117.35 115.26 2k3t s TYR 2505Ca 0.12 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.17 2k3t s TYR 2505Cb 0.10 -1.19 -0.07 0.00 -0.40 0.00 0.00 41.96 40.39 2k3t s TYR 2505CO 0.01 -0.08 1.42 -1.01 -1.57 0.00 0.00 175.55 174.32 2k3t s HIS 2506N -0.33 2.39 0.96 2.71 3.76 -1.26 -1.58 115.29 121.93 2k3t s HIS 2506Ca 0.04 1.28 -0.14 0.00 -0.15 0.00 0.00 55.06 56.09 2k3t s HIS 2506Cb -0.09 -3.91 0.17 0.00 1.11 0.00 0.00 32.58 29.86 2k3t s HIS 2506CO 0.00 -2.99 1.16 0.96 -0.85 0.00 0.00 174.74 173.02 2k3t s ILE 2507N -1.22 1.94 0.04 0.60 -4.36 -0.63 -4.77 121.20 112.80 2k3t s ILE 2507Ca 0.64 0.00 -0.31 0.00 -0.26 0.00 0.00 60.65 60.71 2k3t s ILE 2507Cb -0.43 -2.76 -0.10 0.00 1.25 0.00 0.00 42.46 40.42 2k3t s ILE 2507CO 0.55 0.00 1.90 0.61 0.24 0.00 0.00 174.94 178.24 2k3t n GLY 2508N -2.29 1.70 1.68 6.27 0.00 -0.66 -1.85 105.19 110.04 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 4.38 1.67 3.81 -0.02 0.00 -1.26 -4.47 105.19 109.31 2k3t n GLY 2509Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.12 7.05 0.52 1.61 0.15 -0.77 -4.26 113.70 114.89 2k3t s SER 2510Ca 0.00 1.53 -0.17 0.00 0.70 0.00 0.00 55.95 58.01 2k3t s SER 2510Cb 0.00 -2.46 -0.07 0.00 -1.71 0.00 0.00 66.02 61.77 2k3t s SER 2510CO 0.00 -0.09 1.00 -2.16 1.20 0.00 0.00 173.24 173.19 2k3t s PRO 2511N -2.36 3.84 -0.16 5.44 0.04 -1.26 -4.78 135.00 135.76 2k3t s PRO 2511Ca 0.49 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 2k3t s PRO 2511Cb -0.15 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2k3t s PRO 2511CO 0.20 -0.36 0.06 -0.06 0.04 0.00 0.00 177.00 176.88 2k3t s PHE 2512N -2.55 3.28 -1.10 0.56 0.40 -0.61 -4.92 117.98 113.03 2k3t s PHE 2512Ca 0.60 0.14 0.12 0.00 -0.60 0.00 0.00 56.93 57.19 2k3t s PHE 2512Cb -0.11 -2.03 0.52 0.00 0.51 0.00 0.00 43.02 41.91 2k3t s PHE 2512CO 0.31 0.26 1.37 0.36 0.70 0.00 0.00 175.22 178.22 2k3t n LYS 2513N 3.19 3.10 0.00 0.44 2.85 -1.26 -0.56 118.16 125.92 2k3t n LYS 2513Ca -0.17 -2.06 0.00 0.00 -1.05 0.00 0.00 58.31 55.03 2k3t n LYS 2513Cb 0.53 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.67 0.00 -2.72 0.58 0.00 -0.90 -3.78 120.51 114.36 2k3t n ALA 2514Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 2k3t n ALA 2514Cb 0.72 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 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 4.31 0.04 0.00 1.02 -0.65 -1.09 119.74 123.38 2k3t s LYS 2515Ca 0.00 0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.35 2k3t s LYS 2515Cb 0.00 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 2k3t s LYS 2515CO 0.00 0.19 -0.10 0.14 -0.92 0.00 0.00 175.35 174.66 2k3t s VAL 2516N 0.55 0.72 0.14 3.17 -7.23 0.29 -3.10 120.40 114.94 2k3t s VAL 2516Ca 0.23 -1.02 -0.01 0.00 -1.81 0.00 0.00 61.98 59.37 2k3t s VAL 2516Cb -0.14 -0.73 -0.04 0.00 0.56 0.00 0.00 36.38 36.03 2k3t s VAL 2516CO 0.08 -0.25 0.06 0.42 -0.31 0.00 0.00 175.10 175.11 2k3t s THR 2517N -1.15 0.15 0.00 5.32 -4.23 -1.07 -1.45 115.64 113.21 2k3t s THR 2517Ca -0.06 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2k3t s THR 2517Cb -0.09 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2k3t s THR 2517CO 0.01 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 2k3t n GLY 2518N -0.13 0.40 3.78 3.99 0.00 -1.26 -1.31 105.19 110.67 2k3t n GLY 2518Ca -0.05 -2.23 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 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 2.37 -0.30 1.61 0.04 -1.26 -4.63 135.00 132.83 2k3t s PRO 2519Ca 0.00 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2k3t s PRO 2519Cb 0.00 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 2k3t s PRO 2519CO 0.00 -1.53 0.19 0.50 0.04 0.00 0.00 177.00 176.20 2k3t s ARG 2520N -4.96 3.69 0.00 4.56 3.52 -1.26 -4.23 118.95 120.26 2k3t s ARG 2520Ca 0.60 -0.49 0.25 0.00 -0.13 0.00 0.00 55.73 55.96 2k3t s ARG 2520Cb -0.16 -3.65 0.42 0.00 -1.56 0.00 0.00 34.95 30.00 2k3t s ARG 2520CO 0.56 -0.30 1.35 1.28 -0.81 0.00 0.00 175.30 177.38 2k3t n LEU 2521N 5.05 1.05 0.00 -0.88 7.99 0.05 -5.01 117.00 125.24 2k3t n LEU 2521Ca -0.14 -0.31 0.00 0.00 -0.01 0.00 0.00 56.01 55.55 2k3t n LEU 2521Cb 0.51 -0.12 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2k3t n LEU 2521CO 0.34 0.21 0.21 0.52 -1.51 0.00 0.00 177.39 177.16