#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 1.98 -0.10 4.61 0.00 -1.26 -4.97 121.76 122.02 2k3t s ALA -2 Ca 0.00 -1.22 0.29 0.00 0.00 0.00 0.00 51.96 51.03 2k3t s ALA -2 Cb 0.00 -2.77 1.34 0.00 0.00 0.00 0.00 23.12 21.69 2k3t s ALA -2 CO 0.00 -2.66 1.87 0.52 0.00 0.00 0.00 175.76 175.49 2k3t h MET -1 N -1.82 0.00 -0.71 0.00 0.00 -1.93 -3.42 114.93 107.04 2k3t h MET -1 Ca -0.44 0.00 0.20 0.00 0.00 0.00 0.00 59.70 59.46 2k3t h MET -1 Cb 1.23 0.00 -0.24 0.00 0.00 0.00 0.00 31.60 32.59 2k3t h MET -1 CO 0.35 0.00 0.27 0.20 0.00 0.00 0.00 176.91 177.73 2k3t s GLY 2427N -3.80 -0.13 0.16 8.32 0.00 -0.65 -1.39 107.32 109.83 2k3t s GLY 2427Ca 0.01 3.12 -0.20 0.00 0.00 0.00 0.00 44.72 47.65 2k3t s GLY 2427CO 0.39 3.36 0.66 0.99 0.00 0.00 0.00 173.10 178.50 2k3t s ASP 2428N 2.45 7.08 0.48 1.64 1.01 -1.26 -4.56 116.67 123.52 2k3t s ASP 2428Ca -0.01 1.36 0.21 0.00 0.71 0.00 0.00 52.55 54.82 2k3t s ASP 2428Cb -0.06 -2.39 1.22 0.00 1.01 0.00 0.00 42.92 42.70 2k3t s ASP 2428CO -0.16 0.15 2.02 1.55 0.21 0.00 0.00 175.17 178.93 2k3t h PRO 2429N 3.92 0.00 0.00 8.23 0.13 -1.91 -1.62 132.00 140.76 2k3t h PRO 2429Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2k3t h PRO 2429Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k3t h PRO 2429CO 0.65 0.17 -0.16 0.78 -0.23 0.00 0.00 178.00 179.21 2k3t h GLY 2430N 0.77 0.00 1.13 1.56 0.00 -1.92 -2.14 103.07 102.47 2k3t h GLY 2430Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 2k3t h GLY 2430CO 0.02 0.00 -1.51 1.41 0.00 0.00 0.00 176.54 176.46 2k3t h LEU 2431N 0.00 0.00 -9.76 3.11 -0.00 -1.69 -3.42 115.31 103.55 2k3t h LEU 2431Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 2k3t h LEU 2431Cb 0.81 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.52 2k3t h LEU 2431CO 0.02 0.88 0.64 -0.69 -0.00 0.00 0.00 178.44 179.29 2k3t s VAL 2432N -2.71 3.03 0.39 1.22 1.01 -0.70 -4.34 120.40 118.30 2k3t s VAL 2432Ca -0.03 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.87 2k3t s VAL 2432Cb 0.08 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 2k3t s VAL 2432CO 0.82 0.17 0.04 -1.20 0.00 0.00 0.00 175.10 174.93 2k3t n SER 2433N 1.92 2.48 -3.87 3.32 7.64 -0.90 -1.68 113.62 122.53 2k3t n SER 2433Ca 0.04 -2.81 -0.11 0.00 1.01 0.00 0.00 58.87 56.99 2k3t n SER 2433Cb 0.42 0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.78 -0.27 0.02 -0.43 0.00 -1.26 -0.54 121.76 116.49 2k3t s ALA 2434Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.95 2k3t s ALA 2434Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.11 2k3t s ALA 2434CO 0.04 -0.15 0.15 0.71 0.00 0.00 0.00 175.76 176.51 2k3t s TYR 2435N -0.84 0.08 0.00 0.00 2.02 -0.49 -4.95 117.35 113.16 2k3t s TYR 2435Ca -0.09 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2k3t s TYR 2435Cb -0.05 -0.06 0.00 0.00 -0.40 0.00 0.00 41.96 41.44 2k3t s TYR 2435CO 0.01 -0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.06 2k3t n GLY 2436N 1.11 3.37 0.27 0.71 0.00 -1.26 -0.51 105.19 108.88 2k3t n GLY 2436Ca -0.21 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 1.63 0.00 4.61 0.00 -1.89 -2.75 119.26 120.86 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 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2k3t n GLY 2438N -1.23 -1.11 0.18 0.00 0.00 -0.10 -1.24 105.19 101.70 2k3t n GLY 2438Ca -0.03 0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2k3t n GLY 2438CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k3t h LEU 2439N 0.00 0.00 0.00 0.99 3.38 -1.73 -3.31 115.31 114.64 2k3t h LEU 2439Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2k3t h LEU 2439Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2k3t h LEU 2439CO 0.00 0.30 -1.82 -0.62 0.09 0.00 0.00 178.44 176.39 2k3t n GLU 2440N -3.20 0.64 0.00 1.13 1.02 -0.37 -2.95 120.64 116.91 2k3t n GLU 2440Ca 0.02 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2k3t n GLU 2440Cb 0.63 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 1.57 0.63 0.00 0.62 0.00 -0.74 -1.56 105.19 105.71 2k3t n GLY 2441Ca -0.19 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 0.76 3.73 -0.02 0.00 -1.10 -4.51 105.19 104.04 2k3t n GLY 2442Ca 0.00 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.03 4.48 0.41 1.61 1.01 -1.26 -2.34 120.40 121.28 2k3t s VAL 2443Ca 0.00 2.06 -0.25 0.00 0.00 0.00 0.00 61.98 63.79 2k3t s VAL 2443Cb 0.00 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 2k3t s VAL 2443CO 0.00 0.32 1.21 0.42 0.00 0.00 0.00 175.10 177.04 2k3t s THR 2444N -0.01 2.98 0.00 3.92 -4.23 -0.49 -3.12 115.64 114.69 2k3t s THR 2444Ca 0.47 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 2k3t s THR 2444Cb -0.24 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2k3t s THR 2444CO 0.30 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2k3t n GLY 2445N 0.63 2.97 3.87 3.99 0.00 -0.11 -4.81 105.19 111.73 2k3t n GLY 2445Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.73 6.59 0.39 1.61 0.01 -1.18 -4.98 114.94 116.64 2k3t s ASN 2446Ca 0.00 1.11 -0.25 0.00 -0.71 0.00 0.00 52.86 53.00 2k3t s ASN 2446Cb 0.00 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 2k3t s ASN 2446CO 0.00 -0.29 1.13 -2.16 -1.51 0.00 0.00 177.10 174.27 2k3t s PRO 2447N -3.48 4.15 -0.04 -0.60 0.04 -1.26 -4.32 135.00 129.49 2k3t s PRO 2447Ca 0.51 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.37 2k3t s PRO 2447Cb -0.10 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2k3t s PRO 2447CO 0.26 -0.22 -0.24 0.00 0.04 0.00 0.00 177.00 176.85 2k3t s ALA 2448N -1.44 2.24 -0.09 8.56 0.00 0.13 -4.98 121.76 126.18 2k3t s ALA 2448Ca 0.56 -1.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 2k3t s ALA 2448Cb -0.29 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.19 2k3t s ALA 2448CO 0.36 0.48 0.23 -2.00 0.00 0.00 0.00 175.76 174.83 2k3t s GLU 2449N -0.43 0.25 0.12 0.00 -6.30 -1.26 -0.95 118.70 110.12 2k3t s GLU 2449Ca 0.05 0.35 -0.17 0.00 -2.50 0.00 0.00 54.97 52.70 2k3t s GLU 2449Cb -0.12 0.08 0.04 0.00 0.00 0.00 0.00 34.13 34.13 2k3t s GLU 2449CO 0.01 -0.06 0.42 -0.59 0.02 0.00 0.00 175.26 175.06 2k3t s PHE 2450N 0.33 -0.24 -0.11 5.30 -0.12 -0.54 -0.92 117.98 121.67 2k3t s PHE 2450Ca -0.02 -0.05 -0.00 0.00 -0.05 0.00 0.00 56.93 56.81 2k3t s PHE 2450Cb -0.03 0.28 -0.02 0.00 -0.63 0.00 0.00 43.02 42.62 2k3t s PHE 2450CO -0.01 -0.71 -0.11 0.08 -0.05 0.00 0.00 175.22 174.42 2k3t s VAL 2451N -3.73 3.30 -0.61 -2.49 1.01 0.34 -0.50 120.40 117.72 2k3t s VAL 2451Ca 0.02 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 2k3t s VAL 2451Cb 0.01 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 34.06 2k3t s VAL 2451CO -0.12 0.54 1.03 -0.69 0.00 0.00 0.00 175.10 175.86 2k3t s VAL 2452N 0.04 4.22 -0.31 2.92 1.01 0.63 -1.39 120.40 127.52 2k3t s VAL 2452Ca -0.03 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 2k3t s VAL 2452Cb -0.14 -4.66 0.00 0.00 0.00 0.00 0.00 36.38 31.58 2k3t s VAL 2452CO 0.04 -1.34 0.77 0.21 0.00 0.00 0.00 175.10 174.79 2k3t s ASN 2453N 3.18 6.63 0.00 3.32 3.84 0.30 -2.40 114.94 129.81 2k3t s ASN 2453Ca 0.31 0.61 0.19 0.00 0.21 0.00 0.00 52.86 54.18 2k3t s ASN 2453Cb -0.12 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 2k3t s ASN 2453CO 0.17 -0.61 0.97 0.35 -2.79 0.00 0.00 177.10 175.19 2k3t n THR 2454N 5.55 0.00 -0.13 -5.21 -2.24 -1.25 -2.13 114.28 108.87 2k3t n THR 2454Ca 0.03 -0.31 0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2k3t n THR 2454Cb 0.48 1.23 0.46 0.00 -2.10 0.00 0.00 70.33 70.41 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 2.20 0.45 0.71 3.42 0.02 -1.86 -0.25 113.55 118.24 2k3t h SER 2455Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k3t h SER 2455Cb 0.65 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2k3t h SER 2455CO 0.00 0.27 -0.38 0.59 -1.14 0.00 0.00 176.83 176.17 2k3t n ASN 2456N -4.48 0.42 -0.10 3.07 4.13 -1.26 -4.50 115.26 112.54 2k3t n ASN 2456Ca 0.11 0.02 -0.18 0.00 1.68 0.00 0.00 54.58 56.22 2k3t n ASN 2456Cb 0.38 0.01 -0.06 0.00 -1.54 0.00 0.00 39.78 38.58 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 -1.56 1.39 0.00 5.41 0.00 -0.22 -4.89 120.51 120.65 2k3t n ALA 2457Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2k3t n ALA 2457Cb 0.36 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.64 0.30 3.43 0.00 0.00 -0.54 -4.19 105.19 105.83 2k3t n GLY 2458Ca -0.32 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.72 2.32 0.00 4.61 0.00 -0.49 -4.77 121.76 121.71 2k3t s ALA 2459Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2k3t s ALA 2459Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2k3t s ALA 2459CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2k3t n GLY 2460N -0.60 2.07 3.84 0.00 0.00 -1.26 -1.63 105.19 107.60 2k3t n GLY 2460Ca -0.05 -1.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.80 3.16 0.06 4.61 0.00 -1.26 -4.85 121.76 121.68 2k3t s ALA 2461Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.21 2k3t s ALA 2461Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 2k3t s ALA 2461CO 0.00 0.14 -0.02 -1.17 0.00 0.00 0.00 175.76 174.71 2k3t s LEU 2462N -3.28 3.38 -0.44 0.00 2.96 -1.26 -1.19 118.68 118.86 2k3t s LEU 2462Ca 0.58 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.40 2k3t s LEU 2462Cb -0.10 -2.07 0.26 0.00 0.50 0.00 0.00 46.19 44.78 2k3t s LEU 2462CO 0.18 0.21 0.73 -0.24 -1.32 0.00 0.00 176.35 175.91 2k3t n SER 2463N 0.86 -1.30 -4.76 3.68 2.88 -0.12 -4.98 113.62 109.88 2k3t n SER 2463Ca -0.12 -3.05 -0.40 0.00 -1.33 0.00 0.00 58.87 53.97 2k3t n SER 2463Cb 0.52 0.61 -0.04 0.00 -0.75 0.00 0.00 64.21 64.55 2k3t n SER 2463CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2k3t s VAL 2464N -0.35 3.50 0.00 2.46 1.01 -1.26 -3.69 120.40 122.07 2k3t s VAL 2464Ca 0.33 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.87 2k3t s VAL 2464Cb 0.22 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2k3t s VAL 2464CO -0.17 0.35 -0.19 -0.89 0.00 0.00 0.00 175.10 174.20 2k3t s THR 2465N -1.08 1.52 -0.12 3.92 2.01 -0.74 -5.00 115.64 116.15 2k3t s THR 2465Ca 0.45 -0.91 0.03 0.00 0.31 0.00 0.00 61.69 61.57 2k3t s THR 2465Cb -0.32 -1.28 0.01 0.00 0.01 0.00 0.00 72.50 70.92 2k3t s THR 2465CO 0.41 0.36 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.87 2k3t s ILE 2466N -0.54 1.83 0.07 1.82 1.01 -1.26 -0.39 121.20 123.75 2k3t s ILE 2466Ca 0.07 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2k3t s ILE 2466Cb -0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2k3t s ILE 2466CO -0.00 0.51 -0.06 -0.62 0.00 0.00 0.00 174.94 174.77 2k3t s ASP 2467N 0.77 4.68 0.00 3.58 2.15 -0.64 -4.93 116.67 122.28 2k3t s ASP 2467Ca -0.10 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.63 2k3t s ASP 2467Cb -0.16 -1.02 0.00 0.00 -0.30 0.00 0.00 42.92 41.44 2k3t s ASP 2467CO 0.01 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.82 2k3t n GLY 2468N 0.86 -0.90 0.23 2.66 0.00 -1.26 -0.60 105.19 106.18 2k3t n GLY 2468Ca -0.13 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.04 1.61 0.13 -1.88 -3.44 132.00 126.37 2k3t h PRO 2469Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2k3t h PRO 2469Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 2k3t h PRO 2469CO 0.00 0.21 0.12 -1.12 -0.23 0.00 0.00 178.00 176.98 2k3t s SER 2470N -6.26 -0.71 0.05 1.44 0.01 -1.26 -5.00 113.70 101.98 2k3t s SER 2470Ca -0.01 1.23 -0.30 0.00 1.31 0.00 0.00 55.95 58.18 2k3t s SER 2470Cb 0.12 1.20 -0.09 0.00 0.21 0.00 0.00 66.02 67.47 2k3t s SER 2470CO 0.63 -0.34 1.86 -0.54 0.41 0.00 0.00 173.24 175.26 2k3t s LYS 2471N -0.03 4.15 0.49 12.44 1.02 -1.26 -4.73 119.74 131.83 2k3t s LYS 2471Ca -0.03 2.53 -0.19 0.00 0.02 0.00 0.00 55.97 58.30 2k3t s LYS 2471Cb -0.04 -3.92 -0.08 0.00 -0.52 0.00 0.00 37.83 33.27 2k3t s LYS 2471CO 0.03 -0.89 1.01 0.14 -0.92 0.00 0.00 175.35 174.72 2k3t s VAL 2472N 3.72 4.10 0.36 3.17 -7.23 -1.26 -4.93 120.40 118.32 2k3t s VAL 2472Ca 0.83 1.20 -0.25 0.00 -1.81 0.00 0.00 61.98 61.95 2k3t s VAL 2472Cb -0.42 -3.53 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 2k3t s VAL 2472CO 0.38 -0.39 0.98 -0.54 -0.31 0.00 0.00 175.10 175.21 2k3t s LYS 2473N -3.51 4.42 -0.06 4.82 1.02 -1.24 -4.93 119.74 120.25 2k3t s LYS 2473Ca 0.64 1.35 -0.11 0.00 0.02 0.00 0.00 55.97 57.87 2k3t s LYS 2473Cb -0.13 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.56 2k3t s LYS 2473CO 0.23 0.12 0.27 1.41 -0.92 0.00 0.00 175.35 176.46 2k3t s MET 2474N -2.34 0.45 0.10 1.68 1.75 -1.26 -1.23 119.30 118.45 2k3t s MET 2474Ca 0.54 0.11 0.08 0.00 -1.25 0.00 0.00 55.69 55.17 2k3t s MET 2474Cb -0.18 0.21 -0.03 0.00 2.84 0.00 0.00 34.83 37.66 2k3t s MET 2474CO 0.23 -0.09 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.80 2k3t s ASP 2475N -0.49 2.42 -0.03 1.11 1.01 0.01 -5.01 116.67 115.69 2k3t s ASP 2475Ca -0.06 -0.67 -0.04 0.00 0.71 0.00 0.00 52.55 52.49 2k3t s ASP 2475Cb -0.04 -0.13 0.01 0.00 1.01 0.00 0.00 42.92 43.77 2k3t s ASP 2475CO 0.02 0.04 0.10 0.00 0.21 0.00 0.00 175.17 175.54 2k3t s GLN 2477N -0.26 0.83 -0.02 0.00 2.00 -0.53 -5.02 119.66 116.67 2k3t s GLN 2477Ca -0.03 0.31 -0.30 0.00 -2.00 0.00 0.00 55.36 53.34 2k3t s GLN 2477Cb -0.02 0.39 -0.03 0.00 0.80 0.00 0.00 33.01 34.14 2k3t s GLN 2477CO 0.00 -0.21 1.05 -1.83 -0.50 0.00 0.00 175.29 173.80 2k3t s GLU 2478N -0.75 4.49 0.32 1.67 -1.05 -1.26 -0.67 118.70 121.44 2k3t s GLU 2478Ca -0.08 1.50 0.06 0.00 -0.15 0.00 0.00 54.97 56.30 2k3t s GLU 2478Cb -0.03 -3.47 -0.06 0.00 -0.44 0.00 0.00 34.13 30.13 2k3t s GLU 2478CO 0.06 -0.18 -0.02 0.00 0.95 0.00 0.00 175.26 176.07 2k3t h PRO 2480N 2.11 0.00 -0.00 0.00 0.11 -2.03 -1.51 132.00 130.68 2k3t h PRO 2480Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 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 0.71 0.00 -0.02 -1.91 -0.21 0.00 0.00 178.00 176.57 2k3t n GLU 2481N -4.45 0.32 0.00 1.05 4.07 -1.26 -4.97 120.64 115.40 2k3t n GLU 2481Ca 0.03 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2k3t n GLU 2481Cb 0.34 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 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 1.35 0.17 3.65 8.31 0.00 -0.57 -3.82 105.19 114.29 2k3t n GLY 2482Ca 0.12 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.41 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 2.19 -0.14 1.61 2.02 -1.01 -1.39 117.35 120.63 2k3t s TYR 2483Ca 0.00 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.02 2k3t s TYR 2483Cb 0.00 -3.84 -0.05 0.00 -0.40 0.00 0.00 41.96 37.67 2k3t s TYR 2483CO 0.00 -3.16 0.29 0.50 -1.57 0.00 0.00 175.55 171.61 2k3t s ARG 2484N 4.09 4.15 -0.07 -0.62 3.52 0.15 -0.27 118.95 129.90 2k3t s ARG 2484Ca 0.69 0.11 0.04 0.00 -0.13 0.00 0.00 55.73 56.44 2k3t s ARG 2484Cb -0.29 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 2k3t s ARG 2484CO 0.26 0.34 -0.20 0.08 -0.81 0.00 0.00 175.30 174.97 2k3t s VAL 2485N 0.16 1.73 -0.06 7.11 1.01 0.35 -1.45 120.40 129.25 2k3t s VAL 2485Ca 0.17 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.34 2k3t s VAL 2485Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2k3t s VAL 2485CO 0.05 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 2k3t s THR 2486N 0.26 1.58 0.05 3.92 2.01 -0.43 -1.47 115.64 121.55 2k3t s THR 2486Ca -0.12 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 2k3t s THR 2486Cb -0.15 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 2k3t s THR 2486CO 0.06 0.45 -0.02 -0.72 -0.69 0.00 0.00 174.62 173.70 2k3t s TYR 2487N 0.22 0.44 -0.35 4.92 1.13 -0.13 -0.81 117.35 122.77 2k3t s TYR 2487Ca -0.09 -0.92 -0.02 0.00 -1.41 0.00 0.00 57.07 54.62 2k3t s TYR 2487Cb -0.14 -0.33 0.08 0.00 -1.10 0.00 0.00 41.96 40.47 2k3t s TYR 2487CO 0.04 -0.35 0.10 0.99 -2.51 0.00 0.00 175.55 173.82 2k3t s THR 2488N -3.39 3.15 0.09 -3.49 2.01 -0.36 -0.69 115.64 112.95 2k3t s THR 2488Ca 0.02 -1.70 -0.31 0.00 0.31 0.00 0.00 61.69 60.01 2k3t s THR 2488Cb 0.04 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 2k3t s THR 2488CO -0.08 -0.39 1.39 -2.16 -0.69 0.00 0.00 174.62 172.70 2k3t s PRO 2489N 1.20 4.31 0.00 4.92 0.04 -1.26 -3.69 135.00 140.52 2k3t s PRO 2489Ca 0.02 2.05 0.07 0.00 0.04 0.00 0.00 61.00 63.17 2k3t s PRO 2489Cb -0.21 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.04 2k3t s PRO 2489CO -0.02 -0.47 0.65 0.00 0.04 0.00 0.00 177.00 177.20 2k3t n MET 2490N 4.29 0.69 -3.79 4.56 0.00 -1.26 -0.94 117.12 120.66 2k3t n MET 2490Ca 0.12 -0.77 -0.13 0.00 0.00 0.00 0.00 57.70 56.92 2k3t n MET 2490Cb 0.43 -1.08 -0.10 0.00 0.00 0.00 0.00 33.22 32.46 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 -0.71 -0.62 0.54 3.17 0.00 -1.26 -1.02 121.76 121.86 2k3t s ALA 2491Ca 0.07 0.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.29 2k3t s ALA 2491Cb 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 2k3t s ALA 2491CO 0.11 -0.18 1.08 -1.25 0.00 0.00 0.00 175.76 175.52 2k3t s PRO 2492N -0.58 3.46 0.00 0.00 0.04 -1.26 -4.84 135.00 131.82 2k3t s PRO 2492Ca -0.07 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2k3t s PRO 2492Cb -0.04 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2k3t s PRO 2492CO 0.02 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2k3t n GLY 2493N -0.29 0.38 3.12 0.56 0.00 -0.71 -4.85 105.19 103.40 2k3t n GLY 2493Ca 0.10 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 2.53 -0.29 1.61 0.01 -1.26 -0.48 113.70 111.82 2k3t s SER 2494Ca 0.00 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.70 2k3t s SER 2494Cb 0.00 -1.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 2k3t s SER 2494CO 0.00 0.08 0.18 -0.31 0.41 0.00 0.00 173.24 173.60 2k3t s TYR 2495N 0.63 3.20 -0.43 2.43 2.02 -0.28 -4.40 117.35 120.52 2k3t s TYR 2495Ca -0.14 -0.03 -0.21 0.00 -0.37 0.00 0.00 57.07 56.33 2k3t s TYR 2495Cb -0.16 -2.37 0.02 0.00 -0.40 0.00 0.00 41.96 39.05 2k3t s TYR 2495CO 0.04 -0.23 0.64 -1.17 -1.57 0.00 0.00 175.55 173.26 2k3t s LEU 2496N 1.73 4.51 -0.59 -1.29 2.96 0.23 -2.18 118.68 124.04 2k3t s LEU 2496Ca 0.07 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.47 2k3t s LEU 2496Cb -0.16 -2.72 0.13 0.00 0.50 0.00 0.00 46.19 43.94 2k3t s LEU 2496CO 0.10 -0.77 0.61 -0.63 -1.32 0.00 0.00 176.35 174.35 2k3t s ILE 2497N 2.79 5.08 -1.19 6.68 1.01 0.36 -1.63 121.20 134.30 2k3t s ILE 2497Ca 0.22 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 2k3t s ILE 2497Cb -0.14 -4.42 0.13 0.00 0.01 0.00 0.00 42.46 38.04 2k3t s ILE 2497CO 0.19 -1.00 1.48 -0.44 0.00 0.00 0.00 174.94 175.17 2k3t s SER 2498N 3.50 6.92 -0.24 3.58 0.01 0.48 -1.68 113.70 126.27 2k3t s SER 2498Ca 0.08 -2.65 -0.29 0.00 1.31 0.00 0.00 55.95 54.40 2k3t s SER 2498Cb -0.26 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 2k3t s SER 2498CO 0.03 -0.94 1.23 -0.63 0.41 0.00 0.00 173.24 173.34 2k3t s ILE 2499N 2.61 4.30 0.02 1.44 1.01 -1.26 -1.80 121.20 127.52 2k3t s ILE 2499Ca 0.45 1.53 0.05 0.00 0.00 0.00 0.00 60.65 62.68 2k3t s ILE 2499Cb -0.01 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2k3t s ILE 2499CO 0.00 -0.31 -0.15 -0.54 0.00 0.00 0.00 174.94 173.94 2k3t s LYS 2500N 3.73 1.08 -0.10 2.79 1.02 -1.24 -1.44 119.74 125.57 2k3t s LYS 2500Ca 0.53 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 2k3t s LYS 2500Cb -0.18 -1.08 0.04 0.00 -0.52 0.00 0.00 37.83 36.09 2k3t s LYS 2500CO 0.17 0.28 0.43 -0.47 -0.92 0.00 0.00 175.35 174.84 2k3t s TYR 2501N -0.62 -0.41 -0.86 3.18 6.14 -1.20 -0.95 117.35 122.63 2k3t s TYR 2501Ca 0.04 0.88 0.00 0.00 0.64 0.00 0.00 57.07 58.63 2k3t s TYR 2501Cb -0.07 0.17 0.00 0.00 0.42 0.00 0.00 41.96 42.48 2k3t s TYR 2501CO 0.01 -0.33 0.00 0.41 0.64 0.00 0.00 175.55 176.27 2k3t n GLY 2502N 2.10 0.93 0.00 8.97 0.00 -0.33 -4.34 105.19 112.51 2k3t n GLY 2502Ca -0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.10 0.45 -0.02 0.00 -1.26 -4.98 105.19 98.22 2k3t n GLY 2503Ca -0.08 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.79 1.54 -4.28 1.61 -0.04 -1.26 -4.85 135.00 126.93 2k3t n PRO 2504Ca 0.00 -0.66 -0.31 0.00 -0.04 0.00 0.00 63.50 62.49 2k3t n PRO 2504Cb 0.00 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.68 2.90 0.38 0.54 2.02 -1.26 -4.99 117.35 115.27 2k3t s TYR 2505Ca 0.12 -0.06 -0.27 0.00 -0.37 0.00 0.00 57.07 56.49 2k3t s TYR 2505Cb 0.07 -1.55 -0.10 0.00 -0.40 0.00 0.00 41.96 39.99 2k3t s TYR 2505CO 0.07 0.43 1.38 -1.01 -1.57 0.00 0.00 175.55 174.85 2k3t s HIS 2506N -1.16 2.74 0.93 2.71 3.76 -1.26 -3.23 115.29 119.77 2k3t s HIS 2506Ca 0.21 1.31 -0.15 0.00 -0.15 0.00 0.00 55.06 56.28 2k3t s HIS 2506Cb -0.11 -3.83 0.17 0.00 1.11 0.00 0.00 32.58 29.92 2k3t s HIS 2506CO 0.13 -2.47 1.27 0.96 -0.85 0.00 0.00 174.74 173.78 2k3t s ILE 2507N -1.17 1.98 -0.20 0.60 -5.25 -0.52 -4.74 121.20 111.90 2k3t s ILE 2507Ca 0.54 0.00 -0.28 0.00 -0.99 0.00 0.00 60.65 59.92 2k3t s ILE 2507Cb -0.42 -2.97 -0.05 0.00 2.95 0.00 0.00 42.46 41.96 2k3t s ILE 2507CO 0.56 0.00 2.16 -0.83 -1.79 0.00 0.00 174.94 175.04 2k3t s GLY 2508N -4.74 0.63 0.00 6.27 0.00 -0.68 -1.21 107.32 107.59 2k3t s GLY 2508Ca 0.70 0.80 0.00 0.00 0.00 0.00 0.00 44.72 46.22 2k3t s GLY 2508CO 0.52 3.73 0.00 0.61 0.00 0.00 0.00 173.10 177.96 2k3t n GLY 2509N 5.60 0.68 3.82 0.20 0.00 -1.26 -4.18 105.19 110.06 2k3t n GLY 2509Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.53 7.00 0.54 1.61 0.15 -0.35 -4.30 113.70 115.82 2k3t s SER 2510Ca 0.00 1.53 -0.16 0.00 0.70 0.00 0.00 55.95 58.01 2k3t s SER 2510Cb 0.00 -2.47 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 2k3t s SER 2510CO 0.00 -0.16 1.01 -2.16 1.20 0.00 0.00 173.24 173.13 2k3t s PRO 2511N -2.60 3.73 -0.16 5.44 0.04 -1.26 -4.70 135.00 135.49 2k3t s PRO 2511Ca 0.53 1.03 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 2k3t s PRO 2511Cb -0.13 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2k3t s PRO 2511CO 0.18 -0.45 0.04 -0.06 0.04 0.00 0.00 177.00 176.75 2k3t s PHE 2512N -2.59 3.22 -2.09 0.56 0.40 -0.68 -4.90 117.98 111.89 2k3t s PHE 2512Ca 0.60 0.04 0.14 0.00 -0.60 0.00 0.00 56.93 57.12 2k3t s PHE 2512Cb -0.12 -2.01 0.46 0.00 0.51 0.00 0.00 43.02 41.86 2k3t s PHE 2512CO 0.34 0.19 1.36 0.36 0.70 0.00 0.00 175.22 178.17 2k3t n LYS 2513N 3.28 1.75 0.00 0.44 2.85 -1.26 -0.49 118.16 124.73 2k3t n LYS 2513Ca -0.17 -1.16 0.00 0.00 -1.05 0.00 0.00 58.31 55.93 2k3t n LYS 2513Cb 0.53 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 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 0.42 0.00 -2.59 0.58 0.00 -0.93 -3.58 120.51 114.40 2k3t n ALA 2514Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.18 2k3t n ALA 2514Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 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 4.30 0.05 0.00 1.02 -0.60 -1.13 119.74 123.38 2k3t s LYS 2515Ca 0.00 0.62 0.04 0.00 0.02 0.00 0.00 55.97 56.65 2k3t s LYS 2515Cb 0.00 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 2k3t s LYS 2515CO 0.00 0.29 -0.11 0.14 -0.92 0.00 0.00 175.35 174.75 2k3t s VAL 2516N 0.12 0.85 0.11 3.17 -7.23 0.37 -2.69 120.40 115.10 2k3t s VAL 2516Ca 0.29 -1.14 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 2k3t s VAL 2516Cb -0.17 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 2k3t s VAL 2516CO 0.15 -0.25 0.05 0.42 -0.31 0.00 0.00 175.10 175.15 2k3t s THR 2517N -1.23 0.13 0.00 5.32 -4.23 -0.99 -1.74 115.64 112.89 2k3t s THR 2517Ca -0.05 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2k3t s THR 2517Cb -0.09 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2k3t s THR 2517CO 0.01 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2k3t n GLY 2518N -0.05 0.06 3.75 3.99 0.00 -1.26 -1.39 105.19 110.28 2k3t n GLY 2518Ca -0.07 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 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 1.27 -0.26 1.61 0.04 -1.26 -4.60 135.00 131.79 2k3t s PRO 2519Ca 0.00 0.57 -0.13 0.00 0.04 0.00 0.00 61.00 61.48 2k3t s PRO 2519Cb 0.00 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2k3t s PRO 2519CO 0.00 -2.17 0.26 0.50 0.04 0.00 0.00 177.00 175.63 2k3t s ARG 2520N -5.09 4.01 -0.43 4.56 3.52 -1.26 -4.27 118.95 119.98 2k3t s ARG 2520Ca 0.63 -0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 56.05 2k3t s ARG 2520Cb -0.16 -3.63 0.17 0.00 -1.56 0.00 0.00 34.95 29.77 2k3t s ARG 2520CO 0.55 -0.16 2.37 1.28 -0.81 0.00 0.00 175.30 178.54 2k3t n LEU 2521N 4.96 6.61 0.00 -0.88 7.99 -0.19 -5.02 117.00 130.48 2k3t n LEU 2521Ca -0.12 -3.79 0.00 0.00 -0.01 0.00 0.00 56.01 52.09 2k3t n LEU 2521Cb 0.52 -1.13 0.00 0.00 -0.11 0.00 0.00 43.42 42.69 2k3t n LEU 2521CO 0.35 1.50 0.00 0.55 -1.51 0.00 0.00 177.39 178.28