# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 38.40 17.09 17.50 34.30 124.94 -167.13 -116.63 138.26 98.22 1.78 0.00 98.11 0.09 0.01 0.00 0.00 0.00 1.78 0.01 1 L E E 65.37 9.34 20.91 30.96 117.61 -140.87 -99.95 130.03 8.05 91.94 0.00 8.31 0.10 0.01 0.00 0.00 0.00 91.32 0.26 2 I E E 11.57 21.73 15.01 36.98 123.48 -166.83 -118.00 135.22 1.16 98.84 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.80 0.02 3 K E E 82.15 7.69 24.41 32.58 116.70 -147.31 -103.71 126.08 0.30 99.70 0.00 0.29 0.00 0.00 0.00 0.00 0.00 99.70 0.00 4 V E E 6.29 23.62 14.98 39.00 125.91 -171.77 -121.75 139.23 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 5 K E E 87.70 6.62 23.14 30.26 115.02 -141.26 -99.56 125.31 1.86 98.13 0.01 1.71 0.07 0.01 0.00 0.00 0.00 98.08 0.13 6 T C C 13.79 18.63 12.71 31.52 124.68 -149.69 -90.62 168.19 73.28 26.65 0.07 72.29 0.75 0.12 0.01 0.04 0.00 25.84 0.95 7 L C T 91.22 9.48 14.82 25.25 91.40 -98.48 -63.98 -22.73 98.63 0.76 0.61 1.03 7.33 90.30 0.02 0.63 0.00 0.59 0.10 8 T C T 82.82 4.55 14.94 20.60 94.13 57.17 -87.27 -0.91 99.22 0.18 0.60 0.76 7.13 91.32 0.02 0.62 0.00 0.11 0.04 9 G C S 49.09 3.45 14.75 19.31 98.13 -101.14 88.96 4.14 99.02 0.66 0.32 17.74 80.06 1.38 0.03 0.24 0.00 0.35 0.20 10 K C C 104.18 4.87 14.64 21.33 118.01 132.62 -80.61 143.25 97.54 2.44 0.02 96.34 1.42 0.08 0.00 0.01 0.00 1.96 0.18 11 E E E 106.11 9.10 14.84 25.39 121.44 -141.94 -111.52 135.55 2.56 97.44 0.00 2.45 0.09 0.00 0.00 0.00 0.00 97.23 0.23 12 I E E 30.44 15.58 15.18 31.74 124.35 -171.04 -124.04 135.19 0.24 99.76 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 13 E E E 106.39 7.37 20.60 29.17 117.72 -149.65 -101.41 129.95 0.34 99.66 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.01 14 I E E 17.03 20.84 14.17 35.04 126.77 -173.99 -126.32 139.34 3.50 96.50 0.00 3.59 0.06 0.00 0.00 0.00 0.00 96.24 0.10 15 D E E 90.09 4.48 24.50 29.44 111.74 -138.70 -92.23 120.57 20.09 79.90 0.01 18.83 0.82 0.05 0.00 0.01 0.00 80.14 0.14 16 I C C 12.47 23.74 11.99 35.35 129.31 173.70 -127.92 145.89 59.36 40.63 0.02 58.99 1.44 0.04 0.01 0.02 0.00 34.95 4.56 17 E C C 97.28 3.89 24.31 27.58 115.82 -123.59 -82.27 142.21 99.06 0.92 0.02 99.05 0.25 0.04 0.00 0.01 0.00 0.52 0.13 18 P C T 48.49 17.48 13.50 30.64 91.13 -117.94 -61.82 -23.56 99.78 0.08 0.14 0.36 2.41 97.05 0.00 0.11 0.00 0.05 0.02 19 T C T 96.64 2.74 20.76 23.80 93.24 57.92 -90.34 -2.72 99.79 0.07 0.14 0.38 2.15 97.30 0.00 0.12 0.00 0.04 0.01 20 D C C 29.15 15.07 13.72 29.96 116.38 118.22 -69.32 142.31 98.63 1.28 0.09 66.13 32.60 0.22 0.02 0.06 0.00 0.60 0.36 21 K E B 83.68 6.33 24.34 30.81 121.42 -126.04 -82.34 156.87 13.91 86.00 0.09 10.30 0.21 0.01 0.07 0.00 0.00 4.08 85.32 22 V H H 9.10 24.59 14.30 39.45 90.36 -115.57 -57.83 -39.62 2.23 0.02 97.75 0.27 0.24 1.67 97.04 0.75 0.01 0.01 0.01 23 E H H 100.95 6.25 22.45 29.33 91.13 56.27 -62.34 -40.01 0.74 0.00 99.26 0.06 0.04 0.56 98.71 0.63 0.00 0.00 0.00 24 R H H 110.52 4.27 24.06 28.21 91.66 49.55 -65.36 -40.31 0.36 0.00 99.64 0.05 0.02 0.24 99.02 0.66 0.00 0.00 0.00 25 I H H 3.99 23.89 17.46 41.75 91.57 49.71 -64.27 -43.38 0.30 0.00 99.70 0.05 0.02 0.18 99.52 0.23 0.00 0.00 0.00 26 K H H 47.87 18.16 19.82 36.86 91.54 52.59 -61.86 -42.77 0.16 0.00 99.83 0.02 0.01 0.08 99.85 0.03 0.00 0.00 0.00 27 E H H 101.39 2.65 24.30 25.75 91.60 50.22 -64.15 -42.07 0.22 0.00 99.78 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 28 R H H 88.45 6.72 22.15 29.35 91.98 48.75 -65.20 -41.48 0.54 0.00 99.46 0.04 0.03 0.39 99.49 0.05 0.00 0.00 0.00 29 V H H 5.27 21.46 14.43 36.55 91.63 49.64 -64.57 -43.18 1.01 0.01 98.98 0.15 0.11 0.61 99.06 0.06 0.00 0.00 0.00 30 E H H 69.24 10.90 15.72 27.36 92.02 50.64 -63.70 -41.89 0.96 0.01 99.03 0.19 0.09 0.54 99.07 0.10 0.00 0.00 0.00 31 E H H 145.62 0.98 18.37 17.63 92.75 48.27 -66.74 -39.45 1.52 0.01 98.48 0.15 0.09 1.12 98.41 0.22 0.00 0.00 0.00 32 K H H 123.40 4.20 16.06 21.26 96.30 41.08 -75.98 -36.59 3.98 0.01 96.01 0.18 0.27 3.35 95.93 0.26 0.00 0.00 0.00 33 E H H 72.00 10.99 13.04 24.70 100.69 25.77 -103.54 -11.89 10.69 0.03 89.28 0.70 1.63 7.84 89.57 0.22 0.01 0.01 0.02 34 G C C 58.24 1.52 19.12 19.88 94.99 -120.16 74.52 17.92 99.83 0.06 0.11 55.65 11.78 32.41 0.05 0.05 0.00 0.03 0.03 35 I C C 29.33 16.12 10.12 26.73 118.17 139.76 -98.93 136.20 99.72 0.27 0.01 82.37 17.27 0.04 0.00 0.00 0.00 0.06 0.25 36 P C C 60.86 3.87 21.53 25.40 112.76 -106.41 -64.61 143.79 99.94 0.04 0.02 99.79 0.16 0.02 0.00 0.01 0.00 0.01 0.01 37 P H G 48.36 17.92 12.06 29.18 91.96 -119.08 -57.89 -34.93 7.65 0.05 92.31 0.78 0.66 4.28 0.38 93.87 0.00 0.03 0.00 38 Q H G 129.79 2.84 19.79 23.50 89.91 62.10 -68.33 -17.69 7.33 0.09 92.57 0.42 0.60 4.83 0.34 93.74 0.00 0.06 0.00 39 Q H G 80.73 8.59 19.04 28.57 95.90 55.90 -94.23 -1.66 8.23 0.28 91.49 1.36 1.05 3.99 0.35 93.04 0.00 0.21 0.01 40 Q C C 18.88 22.55 13.97 36.18 120.26 96.04 -94.79 137.44 54.25 45.30 0.45 47.66 6.80 0.32 0.12 0.34 0.00 42.93 1.83 41 R E E 90.39 9.57 26.56 36.46 128.22 -174.86 -129.83 140.73 9.31 90.64 0.04 9.78 0.19 0.02 0.02 0.01 0.00 89.05 0.91 42 L E E 6.07 24.83 17.73 43.08 116.15 -140.47 -98.62 129.30 3.82 96.16 0.02 3.18 0.38 0.02 0.00 0.01 0.00 96.35 0.06 43 I E E 34.48 11.14 23.11 35.48 124.37 -166.75 -120.89 135.37 0.95 99.03 0.01 0.81 0.10 0.02 0.00 0.01 0.00 98.98 0.08 44 Y E E 38.39 18.84 13.79 32.26 119.50 -173.29 -127.56 120.79 1.91 98.02 0.07 1.19 0.53 0.22 0.02 0.04 0.00 97.42 0.58 45 S C T 76.17 5.58 15.69 22.84 92.47 -15.35 54.52 41.61 99.50 0.26 0.24 0.32 2.49 96.82 0.01 0.17 0.00 0.17 0.02 46 G C T 60.84 1.93 15.11 17.64 94.91 -49.62 80.83 2.94 99.76 0.09 0.16 0.38 3.10 96.32 0.01 0.13 0.00 0.06 0.01 47 K E E 125.33 2.88 16.14 20.52 123.78 105.53 -112.02 141.12 3.56 96.41 0.02 2.00 1.41 0.17 0.01 0.01 0.00 95.12 1.27 48 Q E E 108.14 7.26 16.07 24.93 113.86 -116.04 -76.17 133.10 5.10 94.88 0.02 4.56 0.36 0.04 0.01 0.01 0.00 93.90 1.12 49 M C C 22.10 21.40 10.47 31.23 115.73 -131.51 -84.98 139.99 80.18 19.77 0.05 78.35 1.41 0.14 0.01 0.03 0.00 19.48 0.58 50 N C C 84.09 4.36 23.11 26.95 118.05 -137.75 -97.77 139.42 98.04 1.86 0.10 96.55 1.47 0.28 0.02 0.06 0.00 1.09 0.53 51 D C T 65.48 16.15 12.72 28.13 92.43 -128.08 -66.88 -15.61 99.12 0.34 0.53 1.73 7.72 89.69 0.07 0.46 0.00 0.20 0.13 52 E C T 146.10 1.70 18.91 20.19 94.22 60.45 -88.81 -4.91 99.32 0.30 0.38 2.22 5.92 91.17 0.04 0.38 0.00 0.23 0.04 53 K C C 69.76 10.24 14.86 26.51 120.87 96.74 -83.13 147.30 97.45 2.41 0.14 56.95 40.51 0.42 0.04 0.11 0.00 1.18 0.79 54 T E B 38.54 8.59 21.38 30.89 123.59 -127.13 -86.92 159.81 12.41 87.53 0.06 8.55 0.32 0.01 0.05 0.00 0.00 5.75 85.30 55 A H G 5.78 24.74 13.01 38.27 90.70 -110.45 -59.04 -36.45 23.94 0.36 75.71 1.67 2.25 19.22 4.17 72.37 0.00 0.24 0.09 56 A H G 60.15 8.72 18.66 28.09 91.19 60.93 -65.26 -28.97 17.93 0.10 81.97 0.54 1.06 15.88 3.93 78.51 0.00 0.07 0.02 57 D H G 101.64 2.69 20.31 22.97 92.57 55.86 -76.75 -17.67 16.13 0.11 83.76 1.02 1.64 12.88 4.60 79.77 0.00 0.07 0.03 58 Y C C 47.19 18.75 12.89 30.69 100.36 59.68 -91.09 11.01 70.50 2.00 27.51 29.25 29.18 12.93 6.35 20.08 0.02 1.00 1.19 59 K C C 148.57 2.78 22.49 25.48 97.34 -130.41 49.47 54.58 86.46 9.15 4.39 64.37 7.14 14.62 1.36 2.91 0.00 6.57 3.02 60 I C C 18.60 23.91 9.89 32.78 114.70 -168.23 -91.68 127.96 67.43 31.40 1.17 63.84 1.99 0.53 0.80 0.42 0.00 18.86 13.56 61 L C C 97.89 3.95 21.65 25.96 126.70 -163.72 -115.03 150.69 81.03 17.43 1.53 76.12 2.83 1.66 0.59 0.81 0.00 13.82 4.17 62 G C T 46.80 6.87 17.33 25.06 109.08 -49.92 -45.75 134.99 86.29 11.74 1.98 2.86 9.58 75.50 0.29 1.43 0.01 9.03 1.28 63 G C T 44.07 5.47 19.42 25.64 97.03 16.76 86.64 -3.42 91.28 7.13 1.59 5.11 10.99 75.04 0.17 1.35 0.00 7.05 0.29 64 S C C 23.73 15.22 15.29 31.28 119.09 135.83 -77.19 150.31 83.74 15.95 0.31 75.72 6.59 0.45 0.07 0.24 0.00 16.26 0.68 65 V E E 56.62 10.61 23.18 34.35 120.76 -139.21 -112.40 130.41 8.48 91.44 0.08 8.22 0.39 0.05 0.04 0.03 0.00 90.68 0.58 66 L E E 9.91 24.19 17.73 41.96 121.24 -164.19 -113.75 131.21 1.27 98.67 0.06 1.26 0.04 0.01 0.04 0.01 0.00 98.59 0.05 67 H E E 67.14 10.26 26.17 36.79 117.83 -157.71 -104.62 126.48 0.81 99.13 0.06 0.76 0.03 0.01 0.04 0.01 0.00 99.15 0.02 68 L E E 11.27 23.86 17.54 41.37 120.30 -162.74 -109.91 130.08 1.06 98.75 0.19 0.99 0.03 0.01 0.15 0.02 0.00 98.78 0.02 69 V E E 47.67 10.04 24.10 34.67 121.41 -167.09 -117.28 132.63 2.48 97.25 0.27 2.30 0.11 0.03 0.22 0.04 0.00 97.21 0.10 70 L E E 41.71 17.88 16.99 34.50 118.22 -149.33 -99.59 132.68 11.63 86.75 1.62 10.34 0.91 0.33 1.10 0.42 0.00 86.45 0.46 71 A E E 43.12 9.67 17.78 28.46 119.10 -155.93 -102.18 136.65 42.28 53.47 4.25 34.39 5.64 2.06 2.11 1.96 0.00 52.75 1.07 72 L C C 87.13 9.21 13.39 23.66 114.67 -139.04 -90.67 131.75 60.80 31.19 8.01 43.48 11.37 6.85 2.89 4.97 0.03 27.72 2.70 73 R C C 156.35 4.12 12.82 18.52 114.98 -135.06 -95.49 132.34 71.24 19.53 9.23 31.63 17.19 24.51 2.50 6.27 0.07 14.33 3.50 74 G C T 56.21 2.47 11.93 15.73 109.85 13.23 99.75 41.81 84.77 7.72 7.51 29.88 23.92 32.13 1.37 5.86 0.01 4.82 2.00 75 G C C 52.18 3.56 10.25 15.59 113.81 61.01 90.96 170.16 85.82 5.40 8.79 40.31 23.54 22.27 1.53 7.38 0.00 2.87 2.10 76 G C C 56.66 2.51 11.05 15.02 111.37 -21.27 28.59 18.69 82.59 4.18 13.23 33.77 22.91 26.23 2.01 11.22 0.01 2.16 1.71 77 G C C 51.60 3.27 10.23 15.19 112.23 -62.52 77.35 166.57 79.31 3.96 16.73 32.75 22.44 24.39 2.33 14.47 0.01 2.16 1.45 78 L C C 116.99 4.05 8.34 14.18 111.17 -85.21 -87.64 128.69 76.28 6.90 16.82 44.71 16.00 15.42 3.02 14.46 0.01 4.21 2.18 79 R C C 166.91 2.50 8.97 13.33 113.99 -150.89 -94.85 129.95 83.42 5.99 10.59 71.70 3.41 8.87 2.97 6.87 0.00 4.15 2.04 80 Q C C 135.00 2.90 10.98 15.76 111.85 -127.52 -84.99 130.32 99.77 0.18 0.06 99.68 0.11 0.08 0.02 0.01 0.00 0.09 0.03