#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3t n ALA -2 N 0.00 -0.95 -2.03 4.61 0.00 -1.26 -4.71 120.51 116.17 2k3t n ALA -2 Ca 0.00 -1.22 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 2k3t n ALA -2 Cb 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2k3t n ALA -2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2k3t s MET -1 N -4.94 4.48 0.26 0.00 -1.94 -1.26 -1.29 119.30 114.60 2k3t s MET -1 Ca 0.52 1.91 -0.22 0.00 -1.71 0.00 0.00 55.69 56.18 2k3t s MET -1 Cb -0.01 -3.23 -0.09 0.00 2.01 0.00 0.00 34.83 33.51 2k3t s MET -1 CO 0.36 -0.11 0.82 0.20 -0.01 0.00 0.00 175.02 176.28 2k3t s GLY 2427N 0.12 2.70 -0.13 -0.03 0.00 0.09 -4.78 107.32 105.28 2k3t s GLY 2427Ca 0.53 0.32 -0.07 0.00 0.00 0.00 0.00 44.72 45.50 2k3t s GLY 2427CO 0.37 0.71 0.14 -0.35 0.00 0.00 0.00 173.10 173.98 2k3t s ASP 2428N -1.63 6.36 0.57 1.64 -1.08 -1.26 -4.82 116.67 116.45 2k3t s ASP 2428Ca 0.46 0.44 0.27 0.00 -0.52 0.00 0.00 52.55 53.20 2k3t s ASP 2428Cb -0.18 -2.07 1.54 0.00 -1.46 0.00 0.00 42.92 40.76 2k3t s ASP 2428CO 0.22 0.38 2.03 -0.65 0.52 0.00 0.00 175.17 177.68 2k3t h PRO 2429N 5.17 0.00 0.00 4.34 0.11 -1.90 -0.00 132.00 139.72 2k3t h PRO 2429Ca -0.53 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 2k3t h PRO 2429Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2k3t h PRO 2429CO 0.60 0.00 -0.61 0.78 -0.21 0.00 0.00 178.00 178.56 2k3t h GLY 2430N 0.00 0.00 1.24 -0.55 0.00 -1.93 -1.39 103.07 100.44 2k3t h GLY 2430Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.18 2k3t h GLY 2430CO -0.00 0.00 -1.53 1.41 0.00 0.00 0.00 176.54 176.42 2k3t h LEU 2431N 0.00 0.23 -9.80 3.11 -0.00 -1.60 -3.44 115.31 103.82 2k3t h LEU 2431Ca -0.03 -0.35 -0.52 0.00 -0.00 0.00 0.00 57.88 56.97 2k3t h LEU 2431Cb 1.36 -0.08 0.06 0.00 -0.00 0.00 0.00 40.66 42.00 2k3t h LEU 2431CO 0.05 1.30 0.69 -0.69 -0.00 0.00 0.00 178.44 179.79 2k3t s VAL 2432N -2.62 2.78 0.02 1.22 1.01 -0.13 -4.44 120.40 118.23 2k3t s VAL 2432Ca -0.07 0.70 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2k3t s VAL 2432Cb 0.08 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 2k3t s VAL 2432CO 0.83 0.14 0.01 -0.24 0.00 0.00 0.00 175.10 175.84 2k3t n SER 2433N 1.68 0.66 -3.70 3.32 2.88 -0.68 -3.81 113.62 113.96 2k3t n SER 2433Ca 0.04 -1.13 -0.14 0.00 -1.33 0.00 0.00 58.87 56.30 2k3t n SER 2433Cb 0.41 0.07 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 2k3t n SER 2433CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3t s ALA 2434N -2.07 -1.12 -0.00 -1.46 0.00 -1.26 -0.49 121.76 115.36 2k3t s ALA 2434Ca 0.02 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 2k3t s ALA 2434Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2k3t s ALA 2434CO 0.01 -0.25 0.23 0.71 0.00 0.00 0.00 175.76 176.46 2k3t s TYR 2435N -0.43 -0.07 0.00 0.00 2.02 -0.49 -4.95 117.35 113.43 2k3t s TYR 2435Ca -0.06 0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 2k3t s TYR 2435Cb -0.03 0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.55 2k3t s TYR 2435CO 0.03 -0.35 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 2k3t n GLY 2436N 1.32 3.14 0.26 0.71 0.00 -1.26 -0.43 105.19 108.92 2k3t n GLY 2436Ca -0.22 -1.99 0.09 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 1.81 0.00 4.61 0.00 -1.88 -2.75 119.26 121.04 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 0.05 0.00 0.78 0.00 0.00 0.00 179.25 180.08 2k3t h GLY 2438N 0.15 0.00 2.00 0.00 0.00 -1.15 -0.44 103.07 103.62 2k3t h GLY 2438Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2k3t h GLY 2438CO 0.01 0.00 -0.41 1.41 0.00 0.00 0.00 176.54 177.55 2k3t h LEU 2439N 0.00 0.00 0.02 3.11 3.38 -1.74 -3.30 115.31 116.77 2k3t h LEU 2439Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2k3t h LEU 2439Cb 0.26 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2k3t h LEU 2439CO 0.00 0.41 -1.81 -0.62 0.09 0.00 0.00 178.44 176.51 2k3t n GLU 2440N -3.33 0.66 0.00 1.13 -0.58 -0.29 -3.55 120.64 114.68 2k3t n GLU 2440Ca 0.01 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 2k3t n GLU 2440Cb 0.62 -1.76 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 2k3t n GLU 2440CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k3t n GLY 2441N 1.65 0.58 0.00 0.62 0.00 -0.55 -1.08 105.19 106.41 2k3t n GLY 2441Ca -0.21 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 0.74 3.74 -0.02 0.00 -1.02 -4.49 105.19 104.14 2k3t n GLY 2442Ca 0.00 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.73 3.71 0.23 1.61 1.01 -1.26 -2.66 120.40 120.31 2k3t s VAL 2443Ca 0.00 1.49 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 2k3t s VAL 2443Cb 0.00 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 2k3t s VAL 2443CO 0.00 0.26 1.54 0.42 0.00 0.00 0.00 175.10 177.33 2k3t s THR 2444N -0.31 2.44 0.00 3.92 -4.23 -0.43 -2.52 115.64 114.52 2k3t s THR 2444Ca 0.50 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 2k3t s THR 2444Cb -0.31 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2k3t s THR 2444CO 0.36 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2k3t n GLY 2445N 2.80 2.03 3.86 3.99 0.00 -0.33 -4.83 105.19 112.72 2k3t n GLY 2445Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2k3t n GLY 2445CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3t s ASN 2446N -3.42 6.62 -0.75 1.61 2.20 -1.05 -4.94 114.94 115.21 2k3t s ASN 2446Ca 0.00 1.19 -0.26 0.00 -0.94 0.00 0.00 52.86 52.85 2k3t s ASN 2446Cb 0.00 -2.34 0.01 0.00 -2.00 0.00 0.00 41.25 36.91 2k3t s ASN 2446CO 0.00 -0.32 1.57 -2.16 -2.94 0.00 0.00 177.10 173.25 2k3t s PRO 2447N -3.51 2.99 0.31 3.55 0.04 -1.26 -4.27 135.00 132.86 2k3t s PRO 2447Ca 0.52 -0.09 -0.27 0.00 0.04 0.00 0.00 61.00 61.21 2k3t s PRO 2447Cb -0.10 -4.51 -0.10 0.00 0.04 0.00 0.00 34.50 29.83 2k3t s PRO 2447CO 0.26 -2.49 0.98 0.00 0.04 0.00 0.00 177.00 175.79 2k3t s ALA 2448N 7.22 3.24 -0.06 8.56 0.00 -0.41 -4.91 121.76 135.40 2k3t s ALA 2448Ca 0.51 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 2k3t s ALA 2448Cb -0.08 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.86 2k3t s ALA 2448CO 0.12 0.07 0.51 -1.83 0.00 0.00 0.00 175.76 174.63 2k3t s GLU 2449N -1.88 0.84 0.16 0.00 -1.05 -1.26 -0.83 118.70 114.68 2k3t s GLU 2449Ca 0.49 0.17 -0.16 0.00 -0.15 0.00 0.00 54.97 55.32 2k3t s GLU 2449Cb -0.22 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2k3t s GLU 2449CO 0.28 -0.23 0.44 -0.59 0.95 0.00 0.00 175.26 176.11 2k3t s PHE 2450N -1.00 -0.11 -0.13 4.83 -0.71 -0.62 -0.73 117.98 119.51 2k3t s PHE 2450Ca -0.10 -0.22 -0.01 0.00 -1.04 0.00 0.00 56.93 55.56 2k3t s PHE 2450Cb -0.03 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.05 2k3t s PHE 2450CO 0.06 -0.79 -0.11 0.08 -1.34 0.00 0.00 175.22 173.12 2k3t s VAL 2451N -3.85 3.29 -0.49 -2.49 1.01 0.42 -0.34 120.40 117.96 2k3t s VAL 2451Ca 0.07 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2k3t s VAL 2451Cb 0.01 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 34.02 2k3t s VAL 2451CO -0.07 0.52 1.18 -0.69 0.00 0.00 0.00 175.10 176.04 2k3t s VAL 2452N 0.24 4.14 -0.36 2.92 1.01 0.60 -1.40 120.40 127.55 2k3t s VAL 2452Ca -0.07 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 2k3t s VAL 2452Cb -0.15 -4.59 0.01 0.00 0.00 0.00 0.00 36.38 31.65 2k3t s VAL 2452CO 0.05 -1.05 0.73 0.21 0.00 0.00 0.00 175.10 175.03 2k3t s ASN 2453N 2.70 6.51 0.00 3.32 3.04 0.36 -1.76 114.94 129.11 2k3t s ASN 2453Ca 0.48 0.28 0.14 0.00 0.04 0.00 0.00 52.86 53.80 2k3t s ASN 2453Cb -0.08 -2.37 -0.03 0.00 -1.54 0.00 0.00 41.25 37.23 2k3t s ASN 2453CO 0.31 -0.68 0.75 0.35 -3.04 0.00 0.00 177.10 174.79 2k3t n THR 2454N 5.71 0.00 0.16 -5.21 -2.24 -1.17 -1.68 114.28 109.85 2k3t n THR 2454Ca 0.01 -0.32 0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2k3t n THR 2454Cb 0.48 1.14 0.67 0.00 -2.10 0.00 0.00 70.33 70.53 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 1.30 0.00 0.86 3.42 0.02 -1.86 -0.10 113.55 117.19 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2k3t h SER 2455CO 0.00 0.00 -0.16 0.59 -1.14 0.00 0.00 176.83 176.12 2k3t n ASN 2456N -4.43 0.19 -0.03 3.07 3.02 -1.26 -4.53 115.26 111.29 2k3t n ASN 2456Ca 0.02 0.27 -0.07 0.00 -0.03 0.00 0.00 54.58 54.77 2k3t n ASN 2456Cb 0.30 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.51 2.56 0.00 5.41 0.00 -0.17 -4.87 120.51 121.93 2k3t n ALA 2457Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2k3t n ALA 2457Cb 0.34 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 2.60 0.18 3.95 0.00 0.00 -0.53 -3.88 105.19 107.52 2k3t n GLY 2458Ca -0.13 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.91 3.79 0.00 4.61 0.00 -0.41 -4.61 121.76 123.23 2k3t s ALA 2459Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2k3t s ALA 2459Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 2k3t s ALA 2459CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.23 2k3t n GLY 2460N -1.66 3.11 3.78 0.00 0.00 -1.26 -0.73 105.19 108.42 2k3t n GLY 2460Ca -0.06 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 3.19 -0.02 4.61 0.00 -1.26 -4.89 121.76 121.39 2k3t s ALA 2461Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.54 2k3t s ALA 2461Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 2k3t s ALA 2461CO 0.00 0.15 -0.16 -1.17 0.00 0.00 0.00 175.76 174.58 2k3t s LEU 2462N -2.15 2.65 -0.23 0.00 2.96 -1.26 -1.14 118.68 119.51 2k3t s LEU 2462Ca 0.51 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 2k3t s LEU 2462Cb -0.18 -1.53 0.09 0.00 0.50 0.00 0.00 46.19 45.06 2k3t s LEU 2462CO 0.23 0.32 0.16 -0.55 -1.32 0.00 0.00 176.35 175.19 2k3t s SER 2463N -0.91 2.35 -0.20 3.68 0.15 -0.07 -5.01 113.70 113.69 2k3t s SER 2463Ca 0.12 -0.72 -0.09 0.00 0.70 0.00 0.00 55.95 55.97 2k3t s SER 2463Cb -0.11 -0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 2k3t s SER 2463CO 0.02 -0.37 0.10 -0.69 1.20 0.00 0.00 173.24 173.49 2k3t s VAL 2464N 2.20 4.99 -0.09 4.45 1.01 -1.26 -1.85 120.40 129.86 2k3t s VAL 2464Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2k3t s VAL 2464Cb -0.16 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2k3t s VAL 2464CO -0.20 0.42 -0.17 -0.89 0.00 0.00 0.00 175.10 174.26 2k3t s THR 2465N 0.60 2.71 -0.16 3.92 2.01 -0.34 -5.01 115.64 119.37 2k3t s THR 2465Ca 0.05 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2k3t s THR 2465Cb -0.13 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.33 2k3t s THR 2465CO 0.01 0.56 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.70 2k3t s ILE 2466N -0.09 1.75 0.38 1.82 1.01 -1.26 -0.57 121.20 124.23 2k3t s ILE 2466Ca -0.03 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 59.95 2k3t s ILE 2466Cb -0.14 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 2k3t s ILE 2466CO 0.04 0.49 0.33 -1.81 0.00 0.00 0.00 174.94 173.98 2k3t s ASP 2467N 1.39 5.11 0.00 3.58 1.01 -0.60 -4.84 116.67 122.31 2k3t s ASP 2467Ca 0.04 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 52.65 2k3t s ASP 2467Cb -0.13 -0.74 0.00 0.00 1.01 0.00 0.00 42.92 43.06 2k3t s ASP 2467CO -0.11 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.37 2k3t n GLY 2468N -1.45 -0.52 0.21 0.21 0.00 -1.26 -0.48 105.19 101.90 2k3t n GLY 2468Ca 0.01 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.47 132.00 128.40 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 0.43 -0.23 0.00 0.00 178.00 178.20 2k3t n SER 2470N -2.70 0.00 -3.03 1.44 7.64 -1.26 -5.00 113.62 110.71 2k3t n SER 2470Ca 0.01 -0.52 -0.16 0.00 1.01 0.00 0.00 58.87 59.22 2k3t n SER 2470Cb 0.27 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.59 2k3t n SER 2470CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3t n LYS 2471N 0.00 -0.83 -4.00 1.43 5.02 -1.26 -4.88 118.16 113.64 2k3t n LYS 2471Ca 0.00 -1.10 -0.09 0.00 -2.02 0.00 0.00 58.31 55.10 2k3t n LYS 2471Cb 0.00 -0.75 -0.11 0.00 -0.02 0.00 0.00 35.03 34.15 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 -2.53 0.15 -1.04 -0.18 -7.23 -1.26 -4.24 120.40 104.07 2k3t s VAL 2472Ca 0.41 -1.08 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 2k3t s VAL 2472Cb -0.01 -0.50 0.13 0.00 0.56 0.00 0.00 36.38 36.56 2k3t s VAL 2472CO 0.29 -0.58 1.29 -0.54 -0.31 0.00 0.00 175.10 175.24 2k3t s LYS 2473N -1.90 3.77 0.31 4.82 1.02 -1.18 -4.90 119.74 121.67 2k3t s LYS 2473Ca -0.12 -1.95 -0.27 0.00 0.02 0.00 0.00 55.97 53.65 2k3t s LYS 2473Cb -0.07 -5.04 -0.10 0.00 -0.52 0.00 0.00 37.83 32.10 2k3t s LYS 2473CO -0.02 -1.85 0.96 1.41 -0.92 0.00 0.00 175.35 174.93 2k3t s MET 2474N 2.69 4.61 -0.30 1.68 1.75 -1.26 -2.77 119.30 125.71 2k3t s MET 2474Ca 0.38 1.41 -0.02 0.00 -1.25 0.00 0.00 55.69 56.21 2k3t s MET 2474Cb -0.03 -2.91 0.10 0.00 2.84 0.00 0.00 34.83 34.83 2k3t s MET 2474CO -0.06 0.29 0.11 0.34 -0.65 0.00 0.00 175.02 175.06 2k3t s ASP 2475N -1.47 3.79 -0.13 1.11 2.15 0.20 -4.98 116.67 117.34 2k3t s ASP 2475Ca 0.48 -1.47 -0.14 0.00 0.43 0.00 0.00 52.55 51.86 2k3t s ASP 2475Cb -0.21 -0.63 -0.05 0.00 -0.30 0.00 0.00 42.92 41.73 2k3t s ASP 2475CO 0.27 -0.42 0.32 0.00 -0.17 0.00 0.00 175.17 175.17 2k3t s GLN 2477N 0.15 0.64 0.52 0.00 -0.21 -0.15 -5.02 119.66 115.58 2k3t s GLN 2477Ca 0.19 -0.71 -0.18 0.00 0.02 0.00 0.00 55.36 54.67 2k3t s GLN 2477Cb -0.14 0.26 -0.07 0.00 1.00 0.00 0.00 33.01 34.06 2k3t s GLN 2477CO 0.06 -0.17 1.03 -1.83 -2.12 0.00 0.00 175.29 172.26 2k3t s GLU 2478N -2.63 3.72 0.20 2.91 -1.05 -1.26 -0.56 118.70 120.02 2k3t s GLU 2478Ca -0.05 1.23 -0.13 0.00 -0.15 0.00 0.00 54.97 55.88 2k3t s GLU 2478Cb -0.01 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.60 2k3t s GLU 2478CO -0.04 -0.48 0.41 0.00 0.95 0.00 0.00 175.26 176.10 2k3t h PRO 2480N 2.35 0.00 -0.01 0.00 0.13 -2.02 -2.08 132.00 130.38 2k3t h PRO 2480Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k3t h PRO 2480Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k3t h PRO 2480CO 0.41 0.00 -0.26 -1.91 -0.23 0.00 0.00 178.00 176.01 2k3t n GLU 2481N -2.90 1.12 0.00 0.86 2.13 -1.26 -4.95 120.64 115.63 2k3t n GLU 2481Ca -0.00 -0.75 0.00 0.00 0.66 0.00 0.00 57.16 57.07 2k3t n GLU 2481Cb 0.22 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.44 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 1.34 0.80 2.90 8.31 0.00 -0.78 -3.03 105.19 114.72 2k3t n GLY 2482Ca 0.13 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 1.41 0.08 1.61 2.02 -0.72 -1.41 117.35 120.34 2k3t s TYR 2483Ca 0.00 -0.69 -0.29 0.00 -0.37 0.00 0.00 57.07 55.72 2k3t s TYR 2483Cb 0.00 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.31 2k3t s TYR 2483CO 0.00 -0.50 0.92 0.50 -1.57 0.00 0.00 175.55 174.90 2k3t s ARG 2484N 1.72 4.63 -0.22 -0.62 3.52 0.27 -0.29 118.95 127.96 2k3t s ARG 2484Ca 0.05 1.36 -0.02 0.00 -0.13 0.00 0.00 55.73 56.99 2k3t s ARG 2484Cb -0.13 -3.39 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2k3t s ARG 2484CO -0.08 0.18 -0.09 0.08 -0.81 0.00 0.00 175.30 174.59 2k3t s VAL 2485N 0.17 2.88 -0.00 7.11 1.01 0.54 -0.97 120.40 131.13 2k3t s VAL 2485Ca 0.46 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 2k3t s VAL 2485Cb -0.22 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2k3t s VAL 2485CO 0.28 0.36 0.18 -0.89 0.00 0.00 0.00 175.10 175.03 2k3t s THR 2486N 1.37 5.41 0.00 3.92 2.01 -0.39 -1.59 115.64 126.37 2k3t s THR 2486Ca 0.03 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.65 2k3t s THR 2486Cb -0.15 -3.53 0.04 0.00 0.01 0.00 0.00 72.50 68.86 2k3t s THR 2486CO -0.06 0.31 0.43 -0.72 -0.69 0.00 0.00 174.62 173.89 2k3t s TYR 2487N -1.33 -0.31 -0.32 4.92 1.13 -0.01 -0.63 117.35 120.80 2k3t s TYR 2487Ca 0.28 0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 56.28 2k3t s TYR 2487Cb -0.13 0.21 0.01 0.00 -1.10 0.00 0.00 41.96 40.96 2k3t s TYR 2487CO 0.19 -0.51 0.12 0.99 -2.51 0.00 0.00 175.55 173.83 2k3t s THR 2488N -1.79 4.16 -0.32 -3.49 2.01 -1.11 -1.29 115.64 113.81 2k3t s THR 2488Ca -0.10 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 2k3t s THR 2488Cb -0.02 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2k3t s THR 2488CO 0.03 -0.00 1.30 -2.16 -0.69 0.00 0.00 174.62 173.10 2k3t s PRO 2489N 1.52 3.87 0.00 4.92 0.04 -1.26 -3.10 135.00 140.99 2k3t s PRO 2489Ca 0.02 1.17 0.27 0.00 0.04 0.00 0.00 61.00 62.51 2k3t s PRO 2489Cb -0.18 -3.90 0.89 0.00 0.04 0.00 0.00 34.50 31.36 2k3t s PRO 2489CO 0.04 -1.18 1.67 0.00 0.04 0.00 0.00 177.00 177.56 2k3t n MET 2490N 7.42 0.30 -3.82 4.56 0.00 -1.26 -1.18 117.12 123.14 2k3t n MET 2490Ca 0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 57.70 57.60 2k3t n MET 2490Cb 0.47 -1.50 -0.09 0.00 0.00 0.00 0.00 33.22 32.10 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 -2.79 -0.55 0.61 3.17 0.00 -1.26 -4.72 121.76 116.22 2k3t s ALA 2491Ca 0.18 0.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 2k3t s ALA 2491Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 2k3t s ALA 2491CO 0.58 -0.23 1.07 -1.25 0.00 0.00 0.00 175.76 175.93 2k3t s PRO 2492N -1.28 3.17 0.00 0.00 0.04 -1.26 -4.87 135.00 130.80 2k3t s PRO 2492Ca -0.13 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2k3t s PRO 2492Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k3t s PRO 2492CO 0.03 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2k3t n GLY 2493N -0.92 0.29 2.86 0.56 0.00 -0.55 -4.81 105.19 102.62 2k3t n GLY 2493Ca 0.09 -1.51 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 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 1.39 -0.13 1.61 0.01 -1.26 -0.63 113.70 110.68 2k3t s SER 2494Ca 0.00 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 56.97 2k3t s SER 2494Cb 0.00 -0.52 -0.05 0.00 0.21 0.00 0.00 66.02 65.66 2k3t s SER 2494CO 0.00 -0.11 0.32 -0.31 0.41 0.00 0.00 173.24 173.55 2k3t s TYR 2495N 1.37 3.51 -0.34 2.43 2.02 -0.03 -4.09 117.35 122.22 2k3t s TYR 2495Ca -0.04 0.67 -0.13 0.00 -0.37 0.00 0.00 57.07 57.21 2k3t s TYR 2495Cb -0.13 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 2k3t s TYR 2495CO -0.03 0.31 0.24 -1.17 -1.57 0.00 0.00 175.55 173.33 2k3t s LEU 2496N 0.21 4.56 -0.49 -1.29 2.96 0.37 -0.67 118.68 124.32 2k3t s LEU 2496Ca 0.18 -0.46 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 2k3t s LEU 2496Cb -0.14 -2.14 0.10 0.00 0.50 0.00 0.00 46.19 44.52 2k3t s LEU 2496CO 0.06 -0.25 0.40 -0.63 -1.32 0.00 0.00 176.35 174.60 2k3t s ILE 2497N 1.72 4.84 -0.46 6.68 1.01 0.24 -1.56 121.20 133.67 2k3t s ILE 2497Ca 0.06 -1.42 -0.20 0.00 0.00 0.00 0.00 60.65 59.09 2k3t s ILE 2497Cb -0.17 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.29 2k3t s ILE 2497CO 0.10 -0.70 0.65 -0.44 0.00 0.00 0.00 174.94 174.55 2k3t s SER 2498N 2.87 6.30 -0.44 3.58 0.01 0.26 -1.39 113.70 124.90 2k3t s SER 2498Ca 0.04 -0.46 -0.11 0.00 1.31 0.00 0.00 55.95 56.73 2k3t s SER 2498Cb -0.26 -2.32 0.08 0.00 0.21 0.00 0.00 66.02 63.73 2k3t s SER 2498CO 0.03 -0.82 0.31 -0.63 0.41 0.00 0.00 173.24 172.54 2k3t s ILE 2499N 2.82 4.58 -0.09 1.44 1.01 -1.26 -1.19 121.20 128.51 2k3t s ILE 2499Ca 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2k3t s ILE 2499Cb -0.15 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2k3t s ILE 2499CO 0.18 -0.53 -0.08 -0.54 0.00 0.00 0.00 174.94 173.97 2k3t s LYS 2500N 1.50 2.94 -0.05 2.79 1.02 -0.77 -1.16 119.74 126.01 2k3t s LYS 2500Ca 0.03 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.41 2k3t s LYS 2500Cb -0.23 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 2k3t s LYS 2500CO 0.04 0.55 0.14 -0.47 -0.92 0.00 0.00 175.35 174.68 2k3t s TYR 2501N -0.50 -0.15 -0.16 3.18 6.14 -1.17 -0.89 117.35 123.81 2k3t s TYR 2501Ca 0.07 0.38 0.00 0.00 0.64 0.00 0.00 57.07 58.17 2k3t s TYR 2501Cb -0.12 0.02 0.00 0.00 0.42 0.00 0.00 41.96 42.28 2k3t s TYR 2501CO 0.02 -0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.53 2k3t n GLY 2502N 3.29 0.30 0.00 8.97 0.00 -0.29 -4.67 105.19 112.79 2k3t n GLY 2502Ca -0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.40 -0.51 0.19 -0.02 0.00 -1.26 -4.99 105.19 98.19 2k3t n GLY 2503Ca -0.01 -1.42 0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 1.24 -4.09 1.61 -0.04 -1.26 -4.90 135.00 127.56 2k3t n PRO 2504Ca 0.00 -0.36 -0.35 0.00 -0.04 0.00 0.00 63.50 62.75 2k3t n PRO 2504Cb 0.00 -1.17 -0.07 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 -1.89 3.38 0.52 0.54 2.02 -1.26 -5.00 117.35 115.66 2k3t s TYR 2505Ca 0.15 0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 56.96 2k3t s TYR 2505Cb 0.08 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.76 2k3t s TYR 2505CO 0.11 0.60 1.25 -1.01 -1.57 0.00 0.00 175.55 174.93 2k3t s HIS 2506N -1.07 2.54 0.91 2.71 3.76 -1.26 -3.02 115.29 119.85 2k3t s HIS 2506Ca 0.18 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.44 2k3t s HIS 2506Cb -0.12 -3.56 0.14 0.00 1.11 0.00 0.00 32.58 30.15 2k3t s HIS 2506CO 0.08 -2.20 1.13 0.96 -0.85 0.00 0.00 174.74 173.86 2k3t s ILE 2507N -1.47 2.15 0.06 0.60 -4.36 -0.31 -4.85 121.20 113.04 2k3t s ILE 2507Ca 0.70 0.05 -0.32 0.00 -0.26 0.00 0.00 60.65 60.82 2k3t s ILE 2507Cb -0.33 -2.76 -0.11 0.00 1.25 0.00 0.00 42.46 40.50 2k3t s ILE 2507CO 0.39 -0.07 1.83 0.61 0.24 0.00 0.00 174.94 177.95 2k3t n GLY 2508N -2.05 1.57 1.98 6.27 0.00 -0.52 -1.61 105.19 110.83 2k3t n GLY 2508Ca 0.06 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 4.20 1.99 3.87 -0.02 0.00 -1.26 -4.70 105.19 109.26 2k3t n GLY 2509Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.26 6.68 0.46 1.61 0.15 -0.63 -4.28 113.70 114.42 2k3t s SER 2510Ca 0.00 0.92 -0.22 0.00 0.70 0.00 0.00 55.95 57.35 2k3t s SER 2510Cb 0.00 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 62.00 2k3t s SER 2510CO 0.00 0.03 1.07 -2.16 1.20 0.00 0.00 173.24 173.38 2k3t s PRO 2511N -2.39 3.87 -0.17 5.44 0.04 -1.26 -4.70 135.00 135.82 2k3t s PRO 2511Ca 0.42 1.51 -0.08 0.00 0.04 0.00 0.00 61.00 62.89 2k3t s PRO 2511Cb -0.13 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 2k3t s PRO 2511CO 0.20 -0.39 0.09 -0.06 0.04 0.00 0.00 177.00 176.88 2k3t s PHE 2512N -1.77 3.33 -0.47 0.56 0.08 -0.48 -4.90 117.98 114.32 2k3t s PHE 2512Ca 0.64 0.21 -0.18 0.00 0.12 0.00 0.00 56.93 57.72 2k3t s PHE 2512Cb -0.21 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 2k3t s PHE 2512CO 0.26 0.28 0.54 -1.59 -0.10 0.00 0.00 175.22 174.61 2k3t s LYS 2513N 0.12 3.10 -0.29 0.44 0.00 -1.26 -0.59 119.74 121.26 2k3t s LYS 2513Ca 0.06 -0.90 -0.18 0.00 0.00 0.00 0.00 55.97 54.95 2k3t s LYS 2513Cb -0.12 -4.06 -0.02 0.00 0.00 0.00 0.00 37.83 33.63 2k3t s LYS 2513CO 0.00 -1.08 0.52 0.00 0.00 0.00 0.00 175.35 174.79 2k3t s ALA 2514N 2.35 3.56 -0.13 0.59 0.00 0.15 -4.73 121.76 123.54 2k3t s ALA 2514Ca 0.13 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 2k3t s ALA 2514Cb -0.19 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 2k3t s ALA 2514CO 0.12 -0.88 0.35 0.15 0.00 0.00 0.00 175.76 175.49 2k3t s LYS 2515N 2.35 4.21 0.02 0.00 1.02 -0.24 -0.85 119.74 126.25 2k3t s LYS 2515Ca 0.21 0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.43 2k3t s LYS 2515Cb -0.15 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 2k3t s LYS 2515CO 0.10 0.29 -0.07 0.14 -0.92 0.00 0.00 175.35 174.89 2k3t s VAL 2516N 0.28 0.53 0.11 3.17 -7.23 0.20 -2.42 120.40 115.04 2k3t s VAL 2516Ca 0.20 -0.65 -0.06 0.00 -1.81 0.00 0.00 61.98 59.65 2k3t s VAL 2516Cb -0.14 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 2k3t s VAL 2516CO 0.06 -0.10 0.16 0.42 -0.31 0.00 0.00 175.10 175.33 2k3t s THR 2517N -0.71 0.12 0.00 5.32 -4.23 -1.09 -1.48 115.64 113.57 2k3t s THR 2517Ca -0.03 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 2k3t s THR 2517Cb -0.06 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2k3t s THR 2517CO 0.00 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2k3t n GLY 2518N -0.09 0.24 3.73 3.99 0.00 -1.26 -1.31 105.19 110.48 2k3t n GLY 2518Ca -0.11 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.69 4.53 -0.00 1.61 0.04 -1.26 -4.59 135.00 134.63 2k3t s PRO 2519Ca 0.00 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.51 2k3t s PRO 2519Cb 0.00 -3.32 -0.17 0.00 0.04 0.00 0.00 34.50 31.05 2k3t s PRO 2519CO 0.00 -0.06 1.17 -0.09 0.04 0.00 0.00 177.00 178.06 2k3t h ARG 2520N 5.89 -0.32 0.00 4.56 2.43 -1.96 -3.46 114.38 121.52 2k3t h ARG 2520Ca -0.43 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2k3t h ARG 2520Cb 1.21 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2k3t h ARG 2520CO 0.76 0.03 0.00 1.28 -1.51 0.00 0.00 179.97 180.52 2k3t n LEU 2521N -5.07 0.00 0.00 3.80 4.77 -1.26 -4.77 117.00 114.47 2k3t n LEU 2521Ca -0.09 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.97 2k3t n LEU 2521Cb 0.26 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.81 2k3t n LEU 2521CO 0.30 0.00 0.67 1.33 -1.33 0.00 0.00 177.39 178.35