#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3t s ALA -2 N 0.00 -1.33 0.00 4.61 0.00 -1.26 -5.16 121.76 118.63 2k3t s ALA -2 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2k3t s ALA -2 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 2k3t s ALA -2 CO 0.00 -0.85 0.00 -1.33 0.00 0.00 0.00 175.76 173.58 2k3t n MET -1 N -0.39 -0.04 -3.16 0.00 2.81 -1.26 -5.05 117.12 110.03 2k3t n MET -1 Ca -0.12 0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.46 2k3t n MET -1 Cb 0.63 -0.04 -0.06 0.00 -0.71 0.00 0.00 33.22 33.04 2k3t n MET -1 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k3t s GLY 2427N -1.85 2.46 -0.02 3.03 0.00 0.00 -4.86 107.32 106.08 2k3t s GLY 2427Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 2k3t s GLY 2427CO 0.00 0.34 0.48 0.99 0.00 0.00 0.00 173.10 174.90 2k3t s ASP 2428N -1.96 6.84 0.56 1.64 1.01 -1.26 -4.85 116.67 118.65 2k3t s ASP 2428Ca 0.48 1.00 0.27 0.00 0.71 0.00 0.00 52.55 55.00 2k3t s ASP 2428Cb -0.13 -2.29 1.50 0.00 1.01 0.00 0.00 42.92 43.00 2k3t s ASP 2428CO 0.19 0.20 2.00 -0.65 0.21 0.00 0.00 175.17 177.12 2k3t h PRO 2429N 5.37 0.00 0.00 8.23 0.11 -1.90 -0.11 132.00 143.70 2k3t h PRO 2429Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2k3t h PRO 2429Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k3t h PRO 2429CO 0.67 0.00 -0.46 0.78 -0.21 0.00 0.00 178.00 178.78 2k3t h GLY 2430N 0.00 0.00 1.24 -0.55 0.00 -1.93 -1.85 103.07 99.97 2k3t h GLY 2430Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.23 2k3t h GLY 2430CO -0.00 0.00 -1.53 1.41 0.00 0.00 0.00 176.54 176.41 2k3t h LEU 2431N 0.00 0.16 -9.80 3.11 -0.00 -1.60 -3.43 115.31 103.75 2k3t h LEU 2431Ca -0.00 -0.26 -0.53 0.00 -0.00 0.00 0.00 57.88 57.09 2k3t h LEU 2431Cb 1.35 -0.05 0.06 0.00 -0.00 0.00 0.00 40.66 42.02 2k3t h LEU 2431CO 0.06 1.22 0.74 -0.69 -0.00 0.00 0.00 178.44 179.77 2k3t s VAL 2432N -2.62 2.59 0.00 1.22 1.01 -0.17 -4.50 120.40 117.93 2k3t s VAL 2432Ca -0.06 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.44 2k3t s VAL 2432Cb 0.08 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2k3t s VAL 2432CO 0.83 0.10 0.00 -0.24 0.00 0.00 0.00 175.10 175.79 2k3t n SER 2433N 1.76 0.81 -3.75 3.32 2.88 -0.77 -3.25 113.62 114.62 2k3t n SER 2433Ca 0.05 -0.89 -0.13 0.00 -1.33 0.00 0.00 58.87 56.57 2k3t n SER 2433Cb 0.40 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.86 -0.01 -1.46 0.00 -1.26 -0.83 121.76 115.33 2k3t s ALA 2434Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 2k3t s ALA 2434Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.72 2k3t s ALA 2434CO 0.00 -0.19 0.18 0.71 0.00 0.00 0.00 175.76 176.46 2k3t s TYR 2435N -0.21 -0.03 0.00 0.00 2.02 -0.55 -4.95 117.35 113.63 2k3t s TYR 2435Ca -0.04 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.68 2k3t s TYR 2435Cb -0.03 -0.01 0.00 0.00 -0.40 0.00 0.00 41.96 41.52 2k3t s TYR 2435CO 0.02 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 2k3t n GLY 2436N 1.58 3.45 0.25 0.71 0.00 -1.26 -0.50 105.19 109.42 2k3t n GLY 2436Ca -0.21 -1.89 0.07 0.00 0.00 0.00 0.00 46.02 43.98 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 1.91 0.00 4.61 0.00 -1.88 -2.66 119.26 121.24 2k3t h ALA 2437Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 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 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2k3t n GLY 2438N -1.40 -0.85 0.13 0.00 0.00 -0.09 -1.15 105.19 101.82 2k3t n GLY 2438Ca -0.03 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.03 0.99 3.38 -1.72 -3.39 115.31 114.60 2k3t h LEU 2439Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2k3t h LEU 2439Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 2k3t h LEU 2439CO 0.00 0.59 -2.22 -0.62 0.09 0.00 0.00 178.44 176.29 2k3t n GLU 2440N -3.27 0.69 0.00 1.13 1.02 -0.30 -3.29 120.64 116.61 2k3t n GLU 2440Ca 0.01 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2k3t n GLU 2440Cb 0.76 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 1.98 -0.50 0.00 0.62 0.00 -0.90 -0.96 105.19 105.43 2k3t n GLY 2441Ca -0.35 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.33 3.75 -0.02 0.00 -1.26 -4.15 105.19 103.84 2k3t n GLY 2442Ca 0.00 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.60 5.15 0.36 1.61 1.01 -1.26 -1.01 120.40 124.66 2k3t s VAL 2443Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 2k3t s VAL 2443Cb 0.00 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.99 2k3t s VAL 2443CO 0.00 0.53 1.41 0.42 0.00 0.00 0.00 175.10 177.46 2k3t s THR 2444N -0.29 2.33 0.00 3.92 -4.23 -0.41 -2.50 115.64 114.46 2k3t s THR 2444Ca 0.10 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2k3t s THR 2444Cb -0.12 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.51 2k3t s THR 2444CO 0.01 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2k3t n GLY 2445N 0.60 2.94 3.76 3.99 0.00 -0.60 -4.84 105.19 111.04 2k3t n GLY 2445Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.51 5.41 0.17 1.61 0.01 -1.04 -5.02 114.94 112.56 2k3t s ASN 2446Ca 0.00 -0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 2k3t s ASN 2446Cb 0.00 -1.40 -0.08 0.00 0.41 0.00 0.00 41.25 40.19 2k3t s ASN 2446CO 0.00 0.13 1.20 -2.16 -1.51 0.00 0.00 177.10 174.75 2k3t s PRO 2447N -2.68 4.49 0.21 -0.60 0.04 -1.26 -4.32 135.00 130.87 2k3t s PRO 2447Ca 0.29 1.85 0.08 0.00 0.04 0.00 0.00 61.00 63.27 2k3t s PRO 2447Cb -0.11 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2k3t s PRO 2447CO 0.22 -0.11 0.00 0.00 0.04 0.00 0.00 177.00 177.15 2k3t s ALA 2448N 0.12 3.19 0.03 8.56 0.00 -0.02 -4.91 121.76 128.73 2k3t s ALA 2448Ca 0.54 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2k3t s ALA 2448Cb -0.32 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 21.91 2k3t s ALA 2448CO 0.35 0.40 0.42 -1.83 0.00 0.00 0.00 175.76 175.10 2k3t s GLU 2449N -3.23 0.91 0.16 0.00 -1.05 -1.26 -0.86 118.70 113.37 2k3t s GLU 2449Ca 0.29 -0.30 -0.21 0.00 -0.15 0.00 0.00 54.97 54.60 2k3t s GLU 2449Cb -0.08 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.07 2k3t s GLU 2449CO 0.19 -0.31 0.55 -0.59 0.95 0.00 0.00 175.26 176.06 2k3t s PHE 2450N -2.27 -0.40 -0.09 4.83 -0.12 -0.81 -0.91 117.98 118.21 2k3t s PHE 2450Ca -0.07 0.13 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 2k3t s PHE 2450Cb -0.01 0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 42.83 2k3t s PHE 2450CO -0.01 -0.84 -0.12 0.54 -0.05 0.00 0.00 175.22 174.74 2k3t s VAL 2451N -3.79 3.24 -0.65 -2.49 0.11 0.34 -0.78 120.40 116.39 2k3t s VAL 2451Ca 0.03 -0.63 -0.25 0.00 -2.93 0.00 0.00 61.98 58.21 2k3t s VAL 2451Cb -0.01 -2.33 0.05 0.00 -1.53 0.00 0.00 36.38 32.56 2k3t s VAL 2451CO -0.11 0.56 1.06 -0.69 -3.33 0.00 0.00 175.10 172.59 2k3t s VAL 2452N -0.21 4.15 -0.19 2.04 1.01 0.40 -1.47 120.40 126.12 2k3t s VAL 2452Ca 0.01 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2k3t s VAL 2452Cb -0.13 -4.72 -0.02 0.00 0.00 0.00 0.00 36.38 31.51 2k3t s VAL 2452CO 0.03 -1.48 0.65 0.21 0.00 0.00 0.00 175.10 174.51 2k3t s ASN 2453N 3.45 6.71 0.00 3.32 3.04 -0.01 -1.92 114.94 129.54 2k3t s ASN 2453Ca 0.29 0.87 0.12 0.00 0.04 0.00 0.00 52.86 54.18 2k3t s ASN 2453Cb -0.13 -2.36 0.14 0.00 -1.54 0.00 0.00 41.25 37.37 2k3t s ASN 2453CO 0.15 -0.29 0.96 0.35 -3.04 0.00 0.00 177.10 175.23 2k3t n THR 2454N 4.69 0.20 0.05 -5.21 -2.24 -1.23 -1.84 114.28 108.70 2k3t n THR 2454Ca -0.01 -0.60 0.15 0.00 -2.27 0.00 0.00 64.05 61.32 2k3t n THR 2454Cb 0.50 1.10 0.63 0.00 -2.10 0.00 0.00 70.33 70.45 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 2.35 0.09 0.46 3.42 0.02 -1.89 0.11 113.55 118.12 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 0.56 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2k3t h SER 2455CO 0.00 0.06 -0.38 0.59 -1.14 0.00 0.00 176.83 175.96 2k3t n ASN 2456N -4.44 0.59 -0.05 3.07 4.13 -1.26 -4.59 115.26 112.71 2k3t n ASN 2456Ca 0.06 -0.37 -0.09 0.00 1.68 0.00 0.00 54.58 55.86 2k3t n ASN 2456Cb 0.41 0.15 -0.04 0.00 -1.54 0.00 0.00 39.78 38.76 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 -1.26 2.25 0.00 5.41 0.00 -0.11 -4.88 120.51 121.92 2k3t n ALA 2457Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2k3t n ALA 2457Cb 0.33 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.14 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 2.56 -0.10 3.83 0.00 0.00 -0.42 -3.89 105.19 107.17 2k3t n GLY 2458Ca -0.18 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 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 2.91 0.00 4.61 0.00 -1.26 -4.60 121.76 121.42 2k3t s ALA 2459Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2k3t s ALA 2459Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2k3t s ALA 2459CO 0.00 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2k3t n GLY 2460N -1.72 1.56 3.91 0.00 0.00 -1.26 -0.82 105.19 106.86 2k3t n GLY 2460Ca 0.07 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.98 3.96 0.06 4.61 0.00 -1.26 -4.96 121.76 122.19 2k3t s ALA 2461Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.14 2k3t s ALA 2461Cb 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 2k3t s ALA 2461CO 0.00 0.80 0.16 -1.17 0.00 0.00 0.00 175.76 175.55 2k3t s LEU 2462N -2.34 4.16 -0.27 0.00 2.96 -1.26 -1.11 118.68 120.82 2k3t s LEU 2462Ca 0.32 0.18 0.22 0.00 -0.22 0.00 0.00 54.13 54.64 2k3t s LEU 2462Cb -0.13 -2.74 0.50 0.00 0.50 0.00 0.00 46.19 44.32 2k3t s LEU 2462CO 0.25 0.18 1.12 -0.24 -1.32 0.00 0.00 176.35 176.35 2k3t n SER 2463N 0.45 1.43 -4.77 3.68 2.88 0.14 -4.96 113.62 112.47 2k3t n SER 2463Ca -0.07 -2.05 -0.41 0.00 -1.33 0.00 0.00 58.87 55.01 2k3t n SER 2463Cb 0.51 -0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.53 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 -3.62 2.57 0.01 2.46 0.11 -1.25 -4.26 120.40 116.42 2k3t s VAL 2464Ca 0.26 0.56 0.02 0.00 -2.93 0.00 0.00 61.98 59.89 2k3t s VAL 2464Cb 0.33 -3.36 -0.01 0.00 -1.53 0.00 0.00 36.38 31.81 2k3t s VAL 2464CO -0.04 0.13 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.89 2k3t s THR 2465N -0.96 0.55 -0.14 5.04 2.01 -0.67 -4.98 115.64 116.49 2k3t s THR 2465Ca 0.51 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2k3t s THR 2465Cb -0.41 -0.52 0.01 0.00 0.01 0.00 0.00 72.50 71.59 2k3t s THR 2465CO 0.54 -0.02 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 2k3t s ILE 2466N -0.56 1.94 0.30 1.82 1.01 -1.26 -0.51 121.20 123.93 2k3t s ILE 2466Ca -0.01 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.81 2k3t s ILE 2466Cb -0.05 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 2k3t s ILE 2466CO 0.00 0.53 0.30 -0.62 0.00 0.00 0.00 174.94 175.15 2k3t s ASP 2467N 0.96 5.62 0.00 3.58 2.15 -0.33 -4.93 116.67 123.71 2k3t s ASP 2467Ca -0.04 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 52.64 2k3t s ASP 2467Cb -0.15 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 41.21 2k3t s ASP 2467CO -0.04 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2k3t n GLY 2468N -1.37 -0.65 0.21 2.66 0.00 -1.26 -0.52 105.19 104.27 2k3t n GLY 2468Ca -0.04 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.91 -3.47 132.00 128.37 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 0.43 -0.23 0.00 0.00 178.00 178.20 2k3t n SER 2470N -2.73 0.00 -4.27 1.44 7.64 -1.26 -5.02 113.62 109.42 2k3t n SER 2470Ca 0.02 -0.84 -0.29 0.00 1.01 0.00 0.00 58.87 58.77 2k3t n SER 2470Cb 0.30 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.69 2k3t n SER 2470CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k3t s LYS 2471N -1.51 0.13 0.06 1.43 -0.14 -1.26 -4.96 119.74 113.48 2k3t s LYS 2471Ca 0.00 -0.00 0.05 0.00 -1.36 0.00 0.00 55.97 54.65 2k3t s LYS 2471Cb 0.00 -1.75 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 2k3t s LYS 2471CO 0.00 -2.82 -0.13 0.14 -0.76 0.00 0.00 175.35 171.77 2k3t s VAL 2472N -3.32 1.05 -0.55 3.17 -7.23 -1.26 -4.18 120.40 108.08 2k3t s VAL 2472Ca 0.69 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 59.51 2k3t s VAL 2472Cb -0.10 -0.99 0.08 0.00 0.56 0.00 0.00 36.38 35.92 2k3t s VAL 2472CO 0.54 -0.16 0.66 -0.75 -0.31 0.00 0.00 175.10 175.09 2k3t s LYS 2473N -1.49 3.08 0.04 4.82 2.20 -0.97 -4.96 119.74 122.47 2k3t s LYS 2473Ca -0.01 -1.09 0.08 0.00 -0.36 0.00 0.00 55.97 54.58 2k3t s LYS 2473Cb -0.09 -4.18 -0.03 0.00 -1.51 0.00 0.00 37.83 32.02 2k3t s LYS 2473CO 0.02 -1.38 -0.20 1.41 -0.36 0.00 0.00 175.35 174.84 2k3t s MET 2474N 2.67 2.01 -0.05 4.03 1.75 -1.26 -1.24 119.30 127.20 2k3t s MET 2474Ca 0.13 -1.01 0.03 0.00 -1.25 0.00 0.00 55.69 53.60 2k3t s MET 2474Cb -0.22 -2.13 0.00 0.00 2.84 0.00 0.00 34.83 35.33 2k3t s MET 2474CO 0.09 0.54 -0.14 0.34 -0.65 0.00 0.00 175.02 175.20 2k3t s ASP 2475N -1.33 1.87 -0.08 1.11 2.15 -0.11 -5.00 116.67 115.28 2k3t s ASP 2475Ca 0.14 -0.31 -0.00 0.00 0.43 0.00 0.00 52.55 52.80 2k3t s ASP 2475Cb -0.10 -0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 41.81 2k3t s ASP 2475CO 0.04 0.09 -0.05 0.00 -0.17 0.00 0.00 175.17 175.07 2k3t s GLN 2477N -0.66 0.93 0.14 0.00 -0.21 0.14 -5.01 119.66 115.00 2k3t s GLN 2477Ca 0.10 -0.13 -0.28 0.00 0.02 0.00 0.00 55.36 55.07 2k3t s GLN 2477Cb -0.12 -0.93 -0.07 0.00 1.00 0.00 0.00 33.01 32.89 2k3t s GLN 2477CO 0.02 -0.09 0.89 -2.00 -2.12 0.00 0.00 175.29 171.99 2k3t s GLU 2478N 0.99 4.68 0.23 2.91 2.12 -1.26 -1.29 118.70 127.08 2k3t s GLU 2478Ca -0.10 1.34 -0.17 0.00 0.36 0.00 0.00 54.97 56.40 2k3t s GLU 2478Cb -0.14 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.94 2k3t s GLU 2478CO -0.00 0.37 0.57 0.00 -0.54 0.00 0.00 175.26 175.66 2k3t h PRO 2480N 2.15 0.00 0.00 0.00 0.13 -2.03 -1.71 132.00 130.54 2k3t h PRO 2480Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2k3t h PRO 2480Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k3t h PRO 2480CO 0.33 0.00 -0.01 -1.91 -0.23 0.00 0.00 178.00 176.18 2k3t n GLU 2481N -2.58 0.04 0.00 0.86 2.13 -1.26 -4.84 120.64 114.99 2k3t n GLU 2481Ca -0.00 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2k3t n GLU 2481Cb 0.16 -1.55 0.00 0.00 0.27 0.00 0.00 31.44 30.32 2k3t n GLU 2481CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k3t n GLY 2482N 1.47 0.17 3.14 8.31 0.00 -0.65 -3.57 105.19 114.07 2k3t n GLY 2482Ca 0.07 -1.36 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 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 3.31 -0.09 1.61 2.02 -0.81 -1.47 117.35 121.92 2k3t s TYR 2483Ca 0.00 -2.05 -0.17 0.00 -0.37 0.00 0.00 57.07 54.48 2k3t s TYR 2483Cb 0.00 -2.19 -0.05 0.00 -0.40 0.00 0.00 41.96 39.33 2k3t s TYR 2483CO 0.00 -0.84 0.44 0.50 -1.57 0.00 0.00 175.55 174.09 2k3t s ARG 2484N 1.20 4.24 0.04 -0.62 3.52 -0.41 -0.45 118.95 126.46 2k3t s ARG 2484Ca -0.04 0.41 0.08 0.00 -0.13 0.00 0.00 55.73 56.04 2k3t s ARG 2484Cb -0.20 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.78 2k3t s ARG 2484CO -0.02 0.30 -0.21 0.14 -0.81 0.00 0.00 175.30 174.69 2k3t s VAL 2485N 0.18 2.53 -0.06 7.11 -7.23 0.04 -0.68 120.40 122.29 2k3t s VAL 2485Ca 0.24 -1.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 2k3t s VAL 2485Cb -0.15 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.76 2k3t s VAL 2485CO 0.10 0.37 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.19 2k3t s THR 2486N -0.86 1.60 -0.00 5.32 2.01 -0.50 -1.92 115.64 121.29 2k3t s THR 2486Ca 0.13 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 2k3t s THR 2486Cb -0.10 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 2k3t s THR 2486CO 0.04 0.46 0.07 -0.72 -0.69 0.00 0.00 174.62 173.77 2k3t s TYR 2487N 0.23 0.07 -0.29 4.92 1.13 -0.04 -0.93 117.35 122.44 2k3t s TYR 2487Ca -0.10 -0.15 -0.08 0.00 -1.41 0.00 0.00 57.07 55.33 2k3t s TYR 2487Cb -0.14 -0.07 -0.00 0.00 -1.10 0.00 0.00 41.96 40.64 2k3t s TYR 2487CO 0.04 -0.18 0.11 0.99 -2.51 0.00 0.00 175.55 174.00 2k3t s THR 2488N -0.96 4.31 0.50 -3.49 2.01 -0.38 -0.84 115.64 116.79 2k3t s THR 2488Ca -0.11 -0.48 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 2k3t s THR 2488Cb -0.06 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2k3t s THR 2488CO 0.00 0.12 0.98 -2.16 -0.69 0.00 0.00 174.62 172.87 2k3t s PRO 2489N 1.57 3.99 0.00 4.92 0.04 -1.26 -2.28 135.00 141.98 2k3t s PRO 2489Ca 0.04 0.98 0.03 0.00 0.04 0.00 0.00 61.00 62.09 2k3t s PRO 2489Cb -0.17 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 2k3t s PRO 2489CO 0.04 -0.24 0.36 0.00 0.04 0.00 0.00 177.00 177.20 2k3t n MET 2490N -1.44 2.93 -3.81 4.56 0.00 -1.26 -1.56 117.12 116.53 2k3t n MET 2490Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 57.70 57.31 2k3t n MET 2490Cb 0.54 -0.84 -0.11 0.00 0.00 0.00 0.00 33.22 32.81 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 -0.82 -0.54 0.68 3.17 0.00 -1.26 -4.74 121.76 118.24 2k3t s ALA 2491Ca 0.03 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2k3t s ALA 2491Cb 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2k3t s ALA 2491CO 0.09 -0.17 1.10 -1.25 0.00 0.00 0.00 175.76 175.53 2k3t s PRO 2492N -0.58 2.74 0.00 0.00 0.04 -1.26 -4.87 135.00 131.07 2k3t s PRO 2492Ca -0.07 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2k3t s PRO 2492Cb -0.04 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2k3t s PRO 2492CO 0.01 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2k3t n GLY 2493N -0.73 0.54 3.41 0.56 0.00 -0.62 -4.89 105.19 103.46 2k3t n GLY 2493Ca 0.10 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 5.63 -0.09 1.61 0.01 -1.26 -0.55 113.70 115.05 2k3t s SER 2494Ca 0.00 -0.76 -0.21 0.00 1.31 0.00 0.00 55.95 56.29 2k3t s SER 2494Cb 0.00 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.18 2k3t s SER 2494CO 0.00 -0.29 0.62 -0.31 0.41 0.00 0.00 173.24 173.67 2k3t s TYR 2495N 1.58 3.54 -0.30 2.43 1.51 -0.39 -4.20 117.35 121.52 2k3t s TYR 2495Ca 0.03 1.10 -0.11 0.00 -1.01 0.00 0.00 57.07 57.08 2k3t s TYR 2495Cb -0.18 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 38.93 2k3t s TYR 2495CO 0.06 0.10 0.18 -1.17 -1.11 0.00 0.00 175.55 173.62 2k3t s LEU 2496N 0.80 4.13 -0.51 -1.29 2.96 0.32 -0.64 118.68 124.46 2k3t s LEU 2496Ca 0.33 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.85 2k3t s LEU 2496Cb -0.17 -2.08 0.12 0.00 0.50 0.00 0.00 46.19 44.57 2k3t s LEU 2496CO 0.15 -0.13 0.42 -0.63 -1.32 0.00 0.00 176.35 174.84 2k3t s ILE 2497N 1.70 4.70 -1.09 6.68 1.01 0.23 -1.19 121.20 133.25 2k3t s ILE 2497Ca 0.06 -1.65 -0.20 0.00 0.00 0.00 0.00 60.65 58.87 2k3t s ILE 2497Cb -0.17 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.34 2k3t s ILE 2497CO 0.09 -0.82 1.45 -0.44 0.00 0.00 0.00 174.94 175.22 2k3t s SER 2498N 3.13 6.69 -0.45 3.58 0.01 0.33 -1.60 113.70 125.38 2k3t s SER 2498Ca 0.04 -2.02 -0.29 0.00 1.31 0.00 0.00 55.95 54.99 2k3t s SER 2498Cb -0.28 -2.51 0.02 0.00 0.21 0.00 0.00 66.02 63.46 2k3t s SER 2498CO 0.01 -1.23 1.17 -0.63 0.41 0.00 0.00 173.24 172.98 2k3t s ILE 2499N 3.86 4.19 0.06 1.44 1.01 -1.26 -1.67 121.20 128.82 2k3t s ILE 2499Ca 0.45 1.24 0.09 0.00 0.00 0.00 0.00 60.65 62.42 2k3t s ILE 2499Cb -0.00 -4.52 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2k3t s ILE 2499CO -0.04 -0.91 -0.24 -0.54 0.00 0.00 0.00 174.94 173.20 2k3t s LYS 2500N 4.44 1.59 -0.05 2.79 1.02 -1.26 -1.63 119.74 126.63 2k3t s LYS 2500Ca 0.50 -1.09 -0.13 0.00 0.02 0.00 0.00 55.97 55.27 2k3t s LYS 2500Cb -0.09 -1.79 0.03 0.00 -0.52 0.00 0.00 37.83 35.46 2k3t s LYS 2500CO 0.30 0.45 0.31 -0.47 -0.92 0.00 0.00 175.35 175.03 2k3t s TYR 2501N -0.85 -0.24 -1.34 3.18 6.14 -0.84 -0.68 117.35 122.73 2k3t s TYR 2501Ca 0.10 0.47 0.00 0.00 0.64 0.00 0.00 57.07 58.28 2k3t s TYR 2501Cb -0.10 0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.39 2k3t s TYR 2501CO 0.03 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.31 2k3t n GLY 2502N 1.84 1.34 0.00 8.97 0.00 -0.27 -4.40 105.19 112.67 2k3t n GLY 2502Ca -0.19 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.27 0.71 0.96 -0.02 0.00 -1.26 -4.92 105.19 99.38 2k3t n GLY 2503Ca -0.13 -2.07 -0.01 0.00 0.00 0.00 0.00 46.02 43.81 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 1.19 -4.69 1.61 -0.04 -1.26 -4.73 135.00 127.08 2k3t n PRO 2504Ca 0.00 -0.28 -0.33 0.00 -0.04 0.00 0.00 63.50 62.85 2k3t n PRO 2504Cb 0.00 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.07 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 -0.58 2.86 0.42 0.54 2.02 -1.26 -4.98 117.35 116.37 2k3t s TYR 2505Ca 0.05 -0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.18 2k3t s TYR 2505Cb 0.04 -1.79 -0.09 0.00 -0.40 0.00 0.00 41.96 39.72 2k3t s TYR 2505CO 0.01 0.03 1.36 -1.01 -1.57 0.00 0.00 175.55 174.38 2k3t s HIS 2506N -0.14 2.66 0.81 2.71 3.76 -1.26 -1.98 115.29 121.85 2k3t s HIS 2506Ca 0.00 1.34 -0.10 0.00 -0.15 0.00 0.00 55.06 56.15 2k3t s HIS 2506Cb -0.13 -3.79 0.12 0.00 1.11 0.00 0.00 32.58 29.88 2k3t s HIS 2506CO 0.03 -2.48 1.14 0.96 -0.85 0.00 0.00 174.74 173.55 2k3t s ILE 2507N -1.23 2.11 -0.13 0.60 -5.25 -0.64 -4.83 121.20 111.83 2k3t s ILE 2507Ca 0.58 -0.17 -0.29 0.00 -0.99 0.00 0.00 60.65 59.78 2k3t s ILE 2507Cb -0.41 -2.94 -0.07 0.00 2.95 0.00 0.00 42.46 41.99 2k3t s ILE 2507CO 0.53 0.00 2.13 0.61 -1.79 0.00 0.00 174.94 176.42 2k3t n GLY 2508N -3.26 1.32 1.10 6.27 0.00 -0.70 -1.28 105.19 108.64 2k3t n GLY 2508Ca 0.11 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.93 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 5.34 0.91 3.81 -0.02 0.00 -1.26 -4.58 105.19 109.38 2k3t n GLY 2509Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.86 7.09 0.59 1.61 0.15 -0.41 -4.31 113.70 115.57 2k3t s SER 2510Ca 0.00 1.62 -0.14 0.00 0.70 0.00 0.00 55.95 58.13 2k3t s SER 2510Cb 0.00 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.76 2k3t s SER 2510CO 0.00 -0.13 1.03 -2.16 1.20 0.00 0.00 173.24 173.17 2k3t s PRO 2511N -2.44 3.53 -0.13 5.44 0.04 -1.26 -4.77 135.00 135.41 2k3t s PRO 2511Ca 0.52 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 2k3t s PRO 2511Cb -0.15 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2k3t s PRO 2511CO 0.20 -0.62 -0.01 -0.06 0.04 0.00 0.00 177.00 176.54 2k3t s PHE 2512N -2.75 3.11 -0.54 0.56 0.40 -0.63 -4.90 117.98 113.23 2k3t s PHE 2512Ca 0.59 -0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.73 2k3t s PHE 2512Cb -0.13 -1.90 0.12 0.00 0.51 0.00 0.00 43.02 41.63 2k3t s PHE 2512CO 0.41 0.21 0.51 0.21 0.70 0.00 0.00 175.22 177.27 2k3t s LYS 2513N -0.20 2.99 -0.49 0.44 2.20 -1.26 -0.60 119.74 122.83 2k3t s LYS 2513Ca 0.05 -1.64 -0.27 0.00 -0.36 0.00 0.00 55.97 53.74 2k3t s LYS 2513Cb -0.13 -4.28 0.03 0.00 -1.51 0.00 0.00 37.83 31.94 2k3t s LYS 2513CO 0.02 -1.32 1.06 0.00 -0.36 0.00 0.00 175.35 174.75 2k3t s ALA 2514N 1.71 3.16 -1.16 3.13 0.00 0.19 -4.64 121.76 124.15 2k3t s ALA 2514Ca 0.04 -0.67 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 2k3t s ALA 2514Cb -0.29 -3.82 0.19 0.00 0.00 0.00 0.00 23.12 19.20 2k3t s ALA 2514CO 0.04 -2.25 1.34 0.15 0.00 0.00 0.00 175.76 175.04 2k3t s LYS 2515N 4.26 4.06 0.43 0.00 1.02 -0.13 -1.26 119.74 128.11 2k3t s LYS 2515Ca 0.43 -2.62 -0.14 0.00 0.02 0.00 0.00 55.97 53.65 2k3t s LYS 2515Cb -0.08 -4.95 -0.08 0.00 -0.52 0.00 0.00 37.83 32.20 2k3t s LYS 2515CO 0.29 -1.67 0.85 0.14 -0.92 0.00 0.00 175.35 174.04 2k3t s VAL 2516N 1.15 4.65 0.41 3.17 -7.23 0.29 -4.29 120.40 118.55 2k3t s VAL 2516Ca 0.39 0.94 0.05 0.00 -1.81 0.00 0.00 61.98 61.55 2k3t s VAL 2516Cb -0.04 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 2k3t s VAL 2516CO -0.02 -0.52 0.17 0.42 -0.31 0.00 0.00 175.10 174.84 2k3t s THR 2517N -2.40 0.41 0.00 5.32 -4.23 -0.18 -1.60 115.64 112.96 2k3t s THR 2517Ca 0.55 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2k3t s THR 2517Cb -0.10 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2k3t s THR 2517CO 0.28 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.97 2k3t n GLY 2518N -0.89 -2.47 3.79 3.99 0.00 -1.26 -1.29 105.19 107.06 2k3t n GLY 2518Ca -0.03 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 2k3t n GLY 2518CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k3t s PRO 2519N -0.62 3.87 -0.13 1.61 0.04 -1.26 -4.47 135.00 134.05 2k3t s PRO 2519Ca 0.00 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 2k3t s PRO 2519Cb 0.00 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2k3t s PRO 2519CO 0.00 -0.39 -0.15 -0.09 0.04 0.00 0.00 177.00 176.41 2k3t h ARG 2520N 1.84 0.00 0.00 4.56 2.43 -1.97 -3.42 114.38 117.82 2k3t h ARG 2520Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2k3t h ARG 2520Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2k3t h ARG 2520CO 0.60 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 180.34 2k3t n LEU 2521N -4.47 0.56 0.00 3.80 4.77 -1.26 -4.73 117.00 115.67 2k3t n LEU 2521Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2k3t n LEU 2521Cb 0.23 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 39.93 2k3t n LEU 2521CO 0.09 -0.48 0.18 1.33 -1.33 0.00 0.00 177.39 177.18