#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 2.49 0.16 4.61 0.00 -1.26 -4.86 121.76 122.90 2k3t s ALA -2 Ca 0.00 0.44 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 2k3t s ALA -2 Cb 0.00 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 2k3t s ALA -2 CO 0.00 -1.29 0.78 -1.64 0.00 0.00 0.00 175.76 173.62 2k3t s MET -1 N -4.29 4.58 0.59 0.00 -1.94 -1.26 -0.98 119.30 115.99 2k3t s MET -1 Ca 0.65 1.17 -0.07 0.00 -1.71 0.00 0.00 55.69 55.73 2k3t s MET -1 Cb -0.19 -3.27 0.13 0.00 2.01 0.00 0.00 34.83 33.51 2k3t s MET -1 CO 0.44 0.54 0.81 0.41 -0.01 0.00 0.00 175.02 177.21 2k3t n GLY 2427N 1.66 -0.53 3.63 -0.03 0.00 0.05 -4.62 105.19 105.35 2k3t n GLY 2427Ca -0.05 -1.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 2k3t n GLY 2427CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k3t s ASP 2428N -4.06 -0.76 0.58 1.61 -1.08 -1.26 -4.96 116.67 106.73 2k3t s ASP 2428Ca 0.48 1.43 0.38 0.00 -0.52 0.00 0.00 52.55 54.32 2k3t s ASP 2428Cb -0.02 1.43 1.85 0.00 -1.46 0.00 0.00 42.92 44.72 2k3t s ASP 2428CO 0.33 -0.24 2.14 1.55 0.52 0.00 0.00 175.17 179.47 2k3t h PRO 2429N 5.25 0.00 0.00 4.34 0.13 -1.91 -0.20 132.00 139.61 2k3t h PRO 2429Ca -0.29 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.73 2k3t h PRO 2429Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2k3t h PRO 2429CO 0.07 0.00 -0.57 0.78 -0.23 0.00 0.00 178.00 178.05 2k3t h GLY 2430N 1.00 0.00 1.05 1.56 0.00 -1.96 -2.91 103.07 101.81 2k3t h GLY 2430Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2k3t h GLY 2430CO 0.00 0.00 -1.66 1.41 0.00 0.00 0.00 176.54 176.29 2k3t h LEU 2431N 0.00 0.02 -9.72 3.11 -0.00 -1.64 -3.45 115.31 103.63 2k3t h LEU 2431Ca -0.02 -0.04 -0.52 0.00 -0.00 0.00 0.00 57.88 57.30 2k3t h LEU 2431Cb 1.39 -0.01 0.05 0.00 -0.00 0.00 0.00 40.66 42.08 2k3t h LEU 2431CO 0.06 1.03 0.69 -0.69 -0.00 0.00 0.00 178.44 179.54 2k3t s VAL 2432N -2.61 2.95 0.27 1.22 1.01 -0.19 -4.38 120.40 118.67 2k3t s VAL 2432Ca -0.05 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2k3t s VAL 2432Cb 0.08 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.95 2k3t s VAL 2432CO 0.82 0.13 0.03 -1.20 0.00 0.00 0.00 175.10 174.88 2k3t n SER 2433N 2.33 2.25 -3.73 3.32 7.64 -0.72 -3.83 113.62 120.87 2k3t n SER 2433Ca 0.06 -2.23 -0.13 0.00 1.01 0.00 0.00 58.87 57.57 2k3t n SER 2433Cb 0.42 0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.84 2k3t n SER 2433CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3t s ALA 2434N -2.53 -0.97 -0.02 -0.43 0.00 -1.26 -0.49 121.76 116.05 2k3t s ALA 2434Ca 0.04 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 2k3t s ALA 2434Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.70 2k3t s ALA 2434CO 0.03 -0.22 0.26 0.71 0.00 0.00 0.00 175.76 176.54 2k3t s TYR 2435N -0.24 -0.14 0.00 0.00 2.02 -0.55 -4.94 117.35 113.51 2k3t s TYR 2435Ca -0.04 0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 2k3t s TYR 2435Cb -0.03 0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.58 2k3t s TYR 2435CO 0.02 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.08 2k3t n GLY 2436N 1.54 3.16 0.26 0.71 0.00 -1.26 -0.52 105.19 109.08 2k3t n GLY 2436Ca -0.21 -1.95 0.09 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 1.88 0.00 4.61 0.00 -1.80 -2.54 119.26 121.41 2k3t h ALA 2437Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k3t h ALA 2437Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k3t h ALA 2437CO 0.00 0.03 -0.00 0.78 0.00 0.00 0.00 179.25 180.05 2k3t h GLY 2438N 0.07 0.00 2.00 0.00 0.00 -1.20 -0.27 103.07 103.68 2k3t h GLY 2438Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2k3t h GLY 2438CO 0.00 0.00 -0.30 1.41 0.00 0.00 0.00 176.54 177.65 2k3t h LEU 2439N 0.00 0.00 0.00 3.11 3.38 -1.72 -3.28 115.31 116.80 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 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2k3t h LEU 2439CO 0.00 0.30 -1.78 -0.62 0.09 0.00 0.00 178.44 176.43 2k3t n GLU 2440N -3.32 0.64 0.00 1.13 1.02 -0.21 -3.35 120.64 116.56 2k3t n GLU 2440Ca 0.01 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2k3t n GLU 2440Cb 0.54 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.58 -0.08 0.00 0.62 0.00 -0.63 -0.86 105.19 105.82 2k3t n GLY 2441Ca -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.53 3.86 -0.02 0.00 -1.13 -4.55 105.19 102.82 2k3t n GLY 2442Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.06 5.20 0.70 1.61 1.01 -1.26 -2.00 120.40 122.60 2k3t s VAL 2443Ca 0.00 0.51 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 2k3t s VAL 2443Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2k3t s VAL 2443CO 0.00 0.51 1.16 0.35 0.00 0.00 0.00 175.10 177.12 2k3t n THR 2444N 1.60 3.63 -0.85 3.92 -2.24 -0.38 -3.22 114.28 116.74 2k3t n THR 2444Ca -0.14 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 2k3t n THR 2444Cb 0.53 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 67.47 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 0.91 0.51 3.14 3.38 0.00 -0.55 -4.89 105.19 107.69 2k3t n GLY 2445Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.43 1.59 0.45 1.61 0.01 -1.20 -5.04 114.94 109.93 2k3t s ASN 2446Ca 0.00 -0.49 -0.21 0.00 -0.71 0.00 0.00 52.86 51.45 2k3t s ASN 2446Cb 0.00 -0.08 -0.09 0.00 0.41 0.00 0.00 41.25 41.48 2k3t s ASN 2446CO 0.00 -0.00 1.01 -2.16 -1.51 0.00 0.00 177.10 174.44 2k3t s PRO 2447N -1.26 4.01 0.01 -0.60 0.04 -1.26 -4.29 135.00 131.65 2k3t s PRO 2447Ca 0.00 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.39 2k3t s PRO 2447Cb -0.08 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2k3t s PRO 2447CO 0.01 -0.25 -0.09 0.00 0.04 0.00 0.00 177.00 176.72 2k3t s ALA 2448N -1.96 0.71 0.05 8.56 0.00 -0.13 -4.95 121.76 124.04 2k3t s ALA 2448Ca 0.64 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.12 2k3t s ALA 2448Cb -0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2k3t s ALA 2448CO 0.19 0.13 -0.10 -1.83 0.00 0.00 0.00 175.76 174.16 2k3t s GLU 2449N -0.64 0.62 0.23 0.00 1.03 -1.26 -1.39 118.70 117.28 2k3t s GLU 2449Ca 0.00 -0.81 -0.18 0.00 0.03 0.00 0.00 54.97 54.01 2k3t s GLU 2449Cb -0.05 -0.46 0.02 0.00 -0.80 0.00 0.00 34.13 32.84 2k3t s GLU 2449CO 0.00 0.09 0.57 -0.59 -1.33 0.00 0.00 175.26 174.00 2k3t s PHE 2450N -1.33 -0.04 -0.08 4.83 -0.71 -0.33 -0.78 117.98 119.53 2k3t s PHE 2450Ca -0.07 -0.33 0.04 0.00 -1.04 0.00 0.00 56.93 55.52 2k3t s PHE 2450Cb -0.10 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.15 2k3t s PHE 2450CO 0.01 -1.02 -0.20 0.08 -1.34 0.00 0.00 175.22 172.75 2k3t s VAL 2451N -3.91 1.73 -0.62 -2.49 1.01 0.32 -0.50 120.40 115.92 2k3t s VAL 2451Ca 0.12 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 2k3t s VAL 2451Cb -0.02 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.89 2k3t s VAL 2451CO 0.02 0.49 1.19 -0.69 0.00 0.00 0.00 175.10 176.11 2k3t s VAL 2452N 0.29 3.97 -0.43 2.92 1.01 0.55 -1.48 120.40 127.23 2k3t s VAL 2452Ca -0.13 0.69 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 2k3t s VAL 2452Cb -0.16 -4.77 0.02 0.00 0.00 0.00 0.00 36.38 31.48 2k3t s VAL 2452CO 0.06 -1.47 1.22 0.21 0.00 0.00 0.00 175.10 175.12 2k3t s ASN 2453N 3.18 6.59 0.00 3.32 3.84 0.35 -1.70 114.94 130.53 2k3t s ASN 2453Ca 0.39 0.69 0.15 0.00 0.21 0.00 0.00 52.86 54.30 2k3t s ASN 2453Cb -0.08 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 37.97 2k3t s ASN 2453CO 0.22 -1.25 0.70 0.35 -2.79 0.00 0.00 177.10 174.33 2k3t n THR 2454N 6.75 0.00 0.26 -5.21 -2.24 -1.25 -1.76 114.28 110.83 2k3t n THR 2454Ca 0.13 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.82 2k3t n THR 2454Cb 0.48 1.07 0.70 0.00 -2.10 0.00 0.00 70.33 70.48 2k3t n THR 2454CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2k3t h SER 2455N 0.64 0.00 1.03 3.42 4.64 -1.87 -0.16 113.55 121.25 2k3t h SER 2455Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k3t h SER 2455Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2k3t h SER 2455CO 0.00 0.13 0.00 0.59 -0.87 0.00 0.00 176.83 176.68 2k3t n ASN 2456N -3.56 0.26 -0.01 4.97 3.02 -1.26 -4.49 115.26 114.19 2k3t n ASN 2456Ca -0.01 0.53 -0.05 0.00 -0.03 0.00 0.00 54.58 55.02 2k3t n ASN 2456Cb 0.27 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 2k3t n ASN 2456CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k3t n ALA 2457N -1.60 2.34 0.00 5.41 0.00 -0.24 -4.85 120.51 121.58 2k3t n ALA 2457Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2k3t n ALA 2457Cb 0.33 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 2.72 0.62 3.84 0.00 0.00 -0.25 -3.83 105.19 108.28 2k3t n GLY 2458Ca -0.08 -2.22 -0.32 0.00 0.00 0.00 0.00 46.02 43.39 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 -1.83 3.24 0.00 4.61 0.00 -0.16 -4.33 121.76 123.29 2k3t s ALA 2459Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2k3t s ALA 2459Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2k3t s ALA 2459CO 0.00 0.25 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2k3t n GLY 2460N -0.52 1.91 3.74 0.00 0.00 -1.26 -0.77 105.19 108.29 2k3t n GLY 2460Ca 0.04 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 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 3.34 -0.04 4.61 0.00 -1.26 -4.93 121.76 121.48 2k3t s ALA 2461Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 2k3t s ALA 2461Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2k3t s ALA 2461CO 0.00 0.08 0.12 -1.17 0.00 0.00 0.00 175.76 174.79 2k3t s LEU 2462N -0.27 4.14 -0.27 0.00 2.96 -1.26 -1.27 118.68 122.71 2k3t s LEU 2462Ca 0.41 0.29 0.21 0.00 -0.22 0.00 0.00 54.13 54.82 2k3t s LEU 2462Cb -0.22 -2.30 0.50 0.00 0.50 0.00 0.00 46.19 44.67 2k3t s LEU 2462CO 0.26 0.31 1.09 -0.24 -1.32 0.00 0.00 176.35 176.45 2k3t n SER 2463N 1.37 1.79 -4.75 3.68 2.88 0.25 -4.99 113.62 113.86 2k3t n SER 2463Ca -0.14 -2.25 -0.41 0.00 -1.33 0.00 0.00 58.87 54.73 2k3t n SER 2463Cb 0.53 -0.48 -0.02 0.00 -0.75 0.00 0.00 64.21 63.49 2k3t n SER 2463CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k3t s VAL 2464N -3.77 2.68 0.02 2.46 0.11 -1.25 -4.09 120.40 116.57 2k3t s VAL 2464Ca 0.29 0.58 0.02 0.00 -2.93 0.00 0.00 61.98 59.94 2k3t s VAL 2464Cb 0.35 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2k3t s VAL 2464CO -0.02 0.09 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.87 2k3t s THR 2465N -0.05 0.58 -0.07 5.04 2.01 -0.34 -4.98 115.64 117.84 2k3t s THR 2465Ca 0.59 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.88 2k3t s THR 2465Cb -0.42 -0.58 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 2k3t s THR 2465CO 0.43 -0.14 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 2k3t s ILE 2466N -0.84 1.79 0.03 1.82 1.01 -1.26 -0.48 121.20 123.25 2k3t s ILE 2466Ca -0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.71 2k3t s ILE 2466Cb -0.07 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2k3t s ILE 2466CO 0.00 0.50 -0.03 -0.62 0.00 0.00 0.00 174.94 174.79 2k3t s ASP 2467N 0.11 0.29 0.00 3.58 2.15 -0.79 -4.88 116.67 117.12 2k3t s ASP 2467Ca -0.09 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.31 2k3t s ASP 2467Cb -0.14 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.59 2k3t s ASP 2467CO 0.05 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 2k3t n GLY 2468N 1.35 -0.84 0.16 2.66 0.00 -1.26 -0.38 105.19 106.88 2k3t n GLY 2468Ca -0.22 -0.21 0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.88 -3.46 132.00 128.40 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 -2.38 0.00 -3.85 1.44 2.88 -1.26 -4.96 113.62 105.48 2k3t n SER 2470Ca 0.01 -0.11 -0.29 0.00 -1.33 0.00 0.00 58.87 57.15 2k3t n SER 2470Cb 0.20 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.86 2k3t n SER 2470CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2k3t n LYS 2471N 0.00 -1.34 -4.05 -1.46 5.02 -1.26 -4.83 118.16 110.24 2k3t n LYS 2471Ca 0.00 -2.01 -0.13 0.00 -2.02 0.00 0.00 58.31 54.16 2k3t n LYS 2471Cb 0.00 -1.35 -0.11 0.00 -0.02 0.00 0.00 35.03 33.54 2k3t n LYS 2471CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2k3t s VAL 2472N -3.83 0.50 -0.53 -0.18 -7.23 -1.26 -4.18 120.40 103.69 2k3t s VAL 2472Ca 0.74 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 59.57 2k3t s VAL 2472Cb -0.02 -0.57 0.02 0.00 0.56 0.00 0.00 36.38 36.37 2k3t s VAL 2472CO 0.52 -0.39 1.27 -0.75 -0.31 0.00 0.00 175.10 175.44 2k3t s LYS 2473N -1.56 3.51 -0.04 4.82 2.47 -0.57 -4.93 119.74 123.45 2k3t s LYS 2473Ca -0.10 0.47 0.04 0.00 -1.56 0.00 0.00 55.97 54.82 2k3t s LYS 2473Cb -0.10 -4.02 -0.03 0.00 -1.46 0.00 0.00 37.83 32.22 2k3t s LYS 2473CO 0.00 -1.67 -0.16 1.41 0.16 0.00 0.00 175.35 175.10 2k3t s MET 2474N 4.99 2.42 0.05 4.03 -2.45 -1.26 -1.02 119.30 126.07 2k3t s MET 2474Ca 0.49 -0.75 -0.05 0.00 -1.25 0.00 0.00 55.69 54.14 2k3t s MET 2474Cb -0.09 -2.33 -0.02 0.00 1.25 0.00 0.00 34.83 33.64 2k3t s MET 2474CO 0.28 0.61 0.08 -0.51 1.05 0.00 0.00 175.02 176.52 2k3t s ASP 2475N -0.81 0.26 0.17 1.11 1.01 -0.22 -5.01 116.67 113.17 2k3t s ASP 2475Ca 0.12 -0.69 -0.24 0.00 0.71 0.00 0.00 52.55 52.45 2k3t s ASP 2475Cb -0.11 0.24 0.06 0.00 1.01 0.00 0.00 42.92 44.12 2k3t s ASP 2475CO 0.01 -0.58 0.73 0.00 0.21 0.00 0.00 175.17 175.55 2k3t s GLN 2477N -3.63 1.49 0.21 0.00 -2.07 -0.52 -5.01 119.66 110.13 2k3t s GLN 2477Ca 0.06 -0.88 -0.30 0.00 -1.82 0.00 0.00 55.36 52.43 2k3t s GLN 2477Cb -0.03 0.47 -0.08 0.00 -1.09 0.00 0.00 33.01 32.28 2k3t s GLN 2477CO -0.04 -0.69 0.94 -2.00 -1.32 0.00 0.00 175.29 172.18 2k3t s GLU 2478N -3.02 4.81 0.23 9.60 2.12 -1.26 -0.61 118.70 130.57 2k3t s GLU 2478Ca 0.15 1.47 0.02 0.00 0.36 0.00 0.00 54.97 56.96 2k3t s GLU 2478Cb -0.03 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.01 2k3t s GLU 2478CO 0.05 0.46 0.04 0.00 -0.54 0.00 0.00 175.26 175.26 2k3t h PRO 2480N 2.47 0.23 0.00 0.00 0.11 -2.02 -1.69 132.00 131.10 2k3t h PRO 2480Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2k3t h PRO 2480Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k3t h PRO 2480CO 0.63 0.15 0.00 -1.91 -0.21 0.00 0.00 178.00 176.66 2k3t n GLU 2481N -4.48 0.16 0.00 1.05 4.07 -1.26 -4.87 120.64 115.30 2k3t n GLU 2481Ca 0.04 0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.34 2k3t n GLU 2481Cb 0.26 -1.70 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 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 1.03 0.59 3.61 8.31 0.00 -0.63 -3.86 105.19 114.23 2k3t n GLY 2482Ca 0.05 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.96 2.01 0.11 1.61 2.02 -0.69 -1.25 117.35 120.21 2k3t s TYR 2483Ca 0.00 0.60 -0.24 0.00 -0.37 0.00 0.00 57.07 57.06 2k3t s TYR 2483Cb 0.00 -4.11 -0.07 0.00 -0.40 0.00 0.00 41.96 37.38 2k3t s TYR 2483CO 0.00 -2.78 0.74 0.50 -1.57 0.00 0.00 175.55 172.44 2k3t s ARG 2484N 5.19 4.49 -0.03 -0.62 3.52 0.21 -0.33 118.95 131.39 2k3t s ARG 2484Ca 0.74 1.07 0.04 0.00 -0.13 0.00 0.00 55.73 57.44 2k3t s ARG 2484Cb -0.22 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 29.88 2k3t s ARG 2484CO 0.32 0.49 -0.14 0.08 -0.81 0.00 0.00 175.30 175.24 2k3t s VAL 2485N -0.80 1.16 -0.02 7.11 1.01 0.34 -1.44 120.40 127.77 2k3t s VAL 2485Ca 0.36 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2k3t s VAL 2485Cb -0.22 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2k3t s VAL 2485CO 0.24 0.34 -0.08 -0.89 0.00 0.00 0.00 175.10 174.71 2k3t s THR 2486N -0.04 0.68 -0.01 3.92 2.01 -0.25 -1.19 115.64 120.76 2k3t s THR 2486Ca -0.00 -0.31 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 2k3t s THR 2486Cb -0.09 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.82 2k3t s THR 2486CO 0.01 0.21 0.18 -0.72 -0.69 0.00 0.00 174.62 173.61 2k3t s TYR 2487N 0.15 -0.03 -0.29 4.92 1.13 -0.49 -1.06 117.35 121.68 2k3t s TYR 2487Ca -0.02 0.01 -0.06 0.00 -1.41 0.00 0.00 57.07 55.59 2k3t s TYR 2487Cb -0.07 -0.01 0.01 0.00 -1.10 0.00 0.00 41.96 40.79 2k3t s TYR 2487CO 0.00 -0.29 0.07 0.99 -2.51 0.00 0.00 175.55 173.81 2k3t s THR 2488N -1.23 3.82 0.61 -3.49 2.01 -0.19 -0.95 115.64 116.23 2k3t s THR 2488Ca -0.13 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 60.98 2k3t s THR 2488Cb -0.07 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2k3t s THR 2488CO 0.02 0.06 1.03 -2.16 -0.69 0.00 0.00 174.62 172.88 2k3t s PRO 2489N 1.47 3.62 0.00 4.92 0.04 -1.26 -1.51 135.00 142.27 2k3t s PRO 2489Ca 0.02 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2k3t s PRO 2489Cb -0.17 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2k3t s PRO 2489CO 0.02 -0.55 0.39 0.00 0.04 0.00 0.00 177.00 176.89 2k3t n MET 2490N -2.69 -0.08 -3.82 4.56 0.00 -1.26 -1.49 117.12 112.35 2k3t n MET 2490Ca 0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 57.70 57.19 2k3t n MET 2490Cb 0.54 -0.78 -0.11 0.00 0.00 0.00 0.00 33.22 32.87 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 -0.12 -0.48 0.62 3.17 0.00 -1.26 -1.19 121.76 122.49 2k3t s ALA 2491Ca 0.00 0.37 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 2k3t s ALA 2491Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 2k3t s ALA 2491CO 0.00 -0.14 1.08 -1.25 0.00 0.00 0.00 175.76 175.44 2k3t s PRO 2492N -0.41 3.12 0.00 0.00 0.04 -1.26 -4.83 135.00 131.66 2k3t s PRO 2492Ca -0.05 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2k3t s PRO 2492Cb -0.03 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2k3t s PRO 2492CO 0.01 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2k3t n GLY 2493N -0.88 0.57 3.15 0.56 0.00 -0.53 -4.82 105.19 103.24 2k3t n GLY 2493Ca 0.09 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 2.81 -0.15 1.61 0.01 -1.26 -0.41 113.70 112.31 2k3t s SER 2494Ca 0.00 -0.51 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 2k3t s SER 2494Cb 0.00 -1.28 -0.05 0.00 0.21 0.00 0.00 66.02 64.90 2k3t s SER 2494CO 0.00 0.09 0.18 -0.31 0.41 0.00 0.00 173.24 173.61 2k3t s TYR 2495N 0.64 3.51 -0.24 2.43 1.51 0.01 -4.15 117.35 121.06 2k3t s TYR 2495Ca -0.13 0.50 -0.18 0.00 -1.01 0.00 0.00 57.07 56.25 2k3t s TYR 2495Cb -0.16 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 2k3t s TYR 2495CO 0.03 0.48 0.49 -0.51 -1.11 0.00 0.00 175.55 174.93 2k3t s LEU 2496N -0.26 4.08 -0.55 -1.29 1.02 0.49 -0.66 118.68 121.52 2k3t s LEU 2496Ca 0.13 0.54 -0.17 0.00 0.02 0.00 0.00 54.13 54.65 2k3t s LEU 2496Cb -0.12 -2.64 0.11 0.00 0.02 0.00 0.00 46.19 43.55 2k3t s LEU 2496CO 0.02 -0.23 0.59 -0.63 0.02 0.00 0.00 176.35 176.12 2k3t s ILE 2497N 2.03 5.02 -0.84 -0.59 1.01 -0.09 -1.89 121.20 125.84 2k3t s ILE 2497Ca 0.21 -1.15 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 2k3t s ILE 2497Cb -0.15 -4.38 0.09 0.00 0.01 0.00 0.00 42.46 38.03 2k3t s ILE 2497CO 0.09 -0.95 1.13 -0.44 0.00 0.00 0.00 174.94 174.78 2k3t s SER 2498N 3.43 6.42 -0.61 3.58 0.01 0.36 -1.61 113.70 125.29 2k3t s SER 2498Ca 0.08 -1.50 -0.21 0.00 1.31 0.00 0.00 55.95 55.63 2k3t s SER 2498Cb -0.26 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.60 2k3t s SER 2498CO 0.05 -1.31 0.85 -0.63 0.41 0.00 0.00 173.24 172.62 2k3t s ILE 2499N 3.70 4.53 -0.02 1.44 1.01 -1.26 -1.19 121.20 129.41 2k3t s ILE 2499Ca 0.31 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2k3t s ILE 2499Cb -0.08 -4.57 -0.03 0.00 0.01 0.00 0.00 42.46 37.78 2k3t s ILE 2499CO -0.01 -1.25 -0.04 -0.54 0.00 0.00 0.00 174.94 173.10 2k3t s LYS 2500N 3.50 2.69 -0.13 2.79 1.02 -1.26 -0.98 119.74 127.38 2k3t s LYS 2500Ca 0.19 -0.64 -0.14 0.00 0.02 0.00 0.00 55.97 55.40 2k3t s LYS 2500Cb -0.19 -2.59 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 2k3t s LYS 2500CO 0.10 0.63 0.40 -0.47 -0.92 0.00 0.00 175.35 175.09 2k3t s TYR 2501N -0.99 -0.42 -0.67 3.18 6.14 -1.01 -0.58 117.35 122.99 2k3t s TYR 2501Ca 0.17 0.98 0.00 0.00 0.64 0.00 0.00 57.07 58.86 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 0.07 -0.24 0.00 0.41 0.64 0.00 0.00 175.55 176.43 2k3t n GLY 2502N 2.63 0.78 0.00 8.97 0.00 -0.40 -4.45 105.19 112.73 2k3t n GLY 2502Ca -0.14 -0.23 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 -1.07 0.70 0.60 -0.02 0.00 -1.26 -4.96 105.19 99.17 2k3t n GLY 2503Ca -0.06 -1.81 0.01 0.00 0.00 0.00 0.00 46.02 44.16 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 1.43 -4.61 1.61 -0.04 -1.26 -4.89 135.00 127.25 2k3t n PRO 2504Ca 0.00 -0.37 -0.34 0.00 -0.04 0.00 0.00 63.50 62.75 2k3t n PRO 2504Cb 0.00 -1.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.30 2.95 0.43 0.54 2.02 -1.26 -4.99 117.35 115.74 2k3t s TYR 2505Ca 0.06 0.00 -0.25 0.00 -0.37 0.00 0.00 57.07 56.52 2k3t s TYR 2505Cb 0.05 -1.73 -0.08 0.00 -0.40 0.00 0.00 41.96 39.80 2k3t s TYR 2505CO 0.02 0.31 1.33 -1.01 -1.57 0.00 0.00 175.55 174.63 2k3t s HIS 2506N -0.74 2.68 0.32 2.71 3.76 -1.26 -2.41 115.29 120.35 2k3t s HIS 2506Ca 0.11 1.38 -0.14 0.00 -0.15 0.00 0.00 55.06 56.26 2k3t s HIS 2506Cb -0.11 -3.73 -0.09 0.00 1.11 0.00 0.00 32.58 29.77 2k3t s HIS 2506CO 0.02 -2.34 0.72 0.96 -0.85 0.00 0.00 174.74 173.24 2k3t s ILE 2507N -1.27 4.72 0.00 0.60 -5.25 -0.15 -4.83 121.20 115.02 2k3t s ILE 2507Ca 0.60 0.87 0.00 0.00 -0.99 0.00 0.00 60.65 61.13 2k3t s ILE 2507Cb -0.39 -3.62 0.00 0.00 2.95 0.00 0.00 42.46 41.40 2k3t s ILE 2507CO 0.50 -0.20 0.00 0.61 -1.79 0.00 0.00 174.94 174.06 2k3t n GLY 2508N -0.42 2.15 1.50 6.27 0.00 -1.10 -0.79 105.19 112.81 2k3t n GLY 2508Ca 0.03 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.59 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 0.00 2.59 3.76 -0.02 0.00 -1.26 -5.03 105.19 105.23 2k3t n GLY 2509Ca 0.00 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.94 5.80 0.32 1.61 0.15 0.03 -4.31 113.70 116.36 2k3t s SER 2510Ca 0.51 2.51 -0.28 0.00 0.70 0.00 0.00 55.95 59.39 2k3t s SER 2510Cb 0.30 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.90 2k3t s SER 2510CO 0.29 -1.19 1.07 -2.16 1.20 0.00 0.00 173.24 172.45 2k3t s PRO 2511N -2.77 4.48 -0.16 5.44 0.04 -1.26 -4.80 135.00 135.97 2k3t s PRO 2511Ca 0.67 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 2k3t s PRO 2511Cb -0.34 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 2k3t s PRO 2511CO 0.41 0.10 0.43 -0.06 0.04 0.00 0.00 177.00 177.91 2k3t s PHE 2512N -1.34 3.45 -0.85 0.56 0.08 -0.63 -4.85 117.98 114.40 2k3t s PHE 2512Ca 0.49 0.74 -0.19 0.00 0.12 0.00 0.00 56.93 58.09 2k3t s PHE 2512Cb -0.28 -2.52 0.12 0.00 -0.57 0.00 0.00 43.02 39.77 2k3t s PHE 2512CO 0.36 0.10 1.04 0.21 -0.10 0.00 0.00 175.22 176.83 2k3t s LYS 2513N 0.91 3.46 -0.14 0.44 2.20 -1.26 -0.92 119.74 124.44 2k3t s LYS 2513Ca 0.22 -1.59 -0.29 0.00 -0.36 0.00 0.00 55.97 53.95 2k3t s LYS 2513Cb -0.15 -4.71 -0.01 0.00 -1.51 0.00 0.00 37.83 31.46 2k3t s LYS 2513CO 0.08 -1.74 1.04 0.00 -0.36 0.00 0.00 175.35 174.37 2k3t s ALA 2514N 2.81 3.49 -0.27 3.13 0.00 0.17 -4.74 121.76 126.35 2k3t s ALA 2514Ca 0.28 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 2k3t s ALA 2514Cb -0.09 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 2k3t s ALA 2514CO -0.05 -0.75 0.16 0.15 0.00 0.00 0.00 175.76 175.28 2k3t s LYS 2515N 2.38 3.91 -0.03 0.00 1.02 -0.04 -0.81 119.74 126.17 2k3t s LYS 2515Ca 0.48 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 56.20 2k3t s LYS 2515Cb -0.18 -3.58 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 2k3t s LYS 2515CO 0.15 -0.14 -0.25 0.08 -0.92 0.00 0.00 175.35 174.27 2k3t s VAL 2516N 1.61 2.01 0.43 3.17 1.01 0.45 -2.85 120.40 126.23 2k3t s VAL 2516Ca 0.07 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2k3t s VAL 2516Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2k3t s VAL 2516CO 0.09 0.56 0.12 0.42 0.00 0.00 0.00 175.10 176.29 2k3t s THR 2517N -0.45 0.64 0.00 3.92 -4.23 -0.85 -1.45 115.64 113.22 2k3t s THR 2517Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2k3t s THR 2517Cb -0.11 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.43 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 -0.97 -3.27 3.78 3.99 0.00 -1.26 -1.25 105.19 106.21 2k3t n GLY 2518Ca -0.08 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.63 3.70 -0.06 1.61 0.04 -1.26 -4.43 135.00 133.97 2k3t s PRO 2519Ca 0.00 1.60 -0.28 0.00 0.04 0.00 0.00 61.00 62.36 2k3t s PRO 2519Cb 0.00 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2k3t s PRO 2519CO 0.00 -0.56 0.90 0.50 0.04 0.00 0.00 177.00 177.88 2k3t s ARG 2520N -2.97 4.47 0.24 4.56 3.52 -1.26 -4.65 118.95 122.86 2k3t s ARG 2520Ca 0.66 1.23 0.19 0.00 -0.13 0.00 0.00 55.73 57.69 2k3t s ARG 2520Cb -0.24 -3.49 0.05 0.00 -1.56 0.00 0.00 34.95 29.72 2k3t s ARG 2520CO 0.28 -0.11 1.23 -0.07 -0.81 0.00 0.00 175.30 175.82 2k3t h LEU 2521N 7.22 0.00 0.00 -0.88 -0.00 -1.55 -3.50 115.31 116.60 2k3t h LEU 2521Ca -0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2k3t h LEU 2521Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2k3t h LEU 2521CO 0.78 0.31 0.00 0.52 -0.00 0.00 0.00 178.44 180.05