# 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 89.63 10.27 12.56 23.47 118.17 -146.37 -94.19 140.43 99.95 0.04 0.00 99.84 0.11 0.02 0.00 0.00 0.00 0.02 0.01 1 D C C 75.91 5.65 15.32 22.22 109.55 -125.92 -87.49 114.90 99.15 0.16 0.70 98.92 0.25 0.28 0.33 0.08 0.00 0.05 0.09 2 P H G 52.68 13.84 11.70 26.23 92.84 -144.85 -62.69 -26.43 31.67 0.23 68.10 4.12 3.00 23.27 13.75 55.61 0.00 0.15 0.09 3 Y H G 107.36 11.12 14.42 26.02 92.72 65.57 -74.74 -13.96 26.33 0.30 73.36 2.72 2.52 19.92 16.50 58.02 0.01 0.21 0.10 4 K H G 120.28 5.25 19.44 25.40 94.40 67.81 -77.13 -14.78 22.68 1.03 76.29 6.02 4.43 12.96 16.51 59.09 0.01 0.76 0.22 5 V C G 35.50 16.37 16.07 32.28 99.68 62.83 -84.73 -23.49 42.98 15.69 41.33 12.41 13.14 20.36 16.84 21.77 0.62 12.67 2.19 6 I E E 32.10 18.96 16.15 34.96 115.12 67.71 -101.97 119.91 19.71 74.62 5.67 14.07 4.64 2.53 3.45 2.65 0.16 63.76 8.75 7 I E E 63.00 12.72 19.58 32.41 118.61 -166.43 -109.14 127.71 23.95 75.38 0.67 20.40 3.21 0.44 0.56 0.28 0.00 71.46 3.64 8 R E E 113.82 10.66 20.30 31.18 121.43 -161.87 -120.03 127.89 38.14 61.76 0.10 33.59 3.50 0.18 0.04 0.05 0.00 61.91 0.74 9 P C E 39.73 17.42 14.76 31.79 115.68 -118.12 -69.86 146.27 50.42 49.38 0.20 46.00 2.98 0.35 0.07 0.12 0.00 48.72 1.74 10 L C C 83.08 8.29 19.44 28.44 111.25 -125.41 -85.49 125.51 76.23 23.37 0.39 65.65 9.02 0.87 0.18 0.27 0.00 18.73 5.27 11 V C C 61.60 14.84 12.35 26.92 121.52 -158.28 -112.46 133.88 90.99 8.63 0.38 77.34 13.30 0.72 0.20 0.20 0.00 5.90 2.35 12 T C C 58.48 5.48 15.44 22.13 129.51 -131.80 -112.72 170.44 96.33 2.60 1.07 81.32 14.47 0.64 1.01 0.20 0.00 1.10 1.25 13 E H H 150.82 1.51 14.46 16.36 91.09 -97.82 -59.56 -36.54 11.14 0.10 88.76 2.16 3.31 6.15 86.59 1.65 0.04 0.03 0.05 14 K H H 130.25 2.49 16.61 19.51 91.97 52.23 -65.73 -39.37 9.15 0.10 90.75 1.73 1.48 6.06 88.64 1.96 0.04 0.05 0.04 15 A H H 12.90 17.65 12.05 29.74 92.56 50.57 -65.98 -40.09 5.86 0.17 93.97 2.38 0.93 2.86 91.20 2.47 0.01 0.11 0.05 16 V H H 59.33 9.20 16.40 26.66 91.99 52.75 -63.55 -41.47 3.05 0.12 96.83 1.34 0.49 1.33 95.34 1.38 0.01 0.08 0.03 17 S H H 60.04 2.01 20.07 20.78 91.96 50.74 -64.11 -41.25 4.21 0.18 95.60 1.55 0.62 2.22 94.11 1.32 0.02 0.12 0.05 18 L H H 40.70 9.21 15.60 26.67 92.30 50.42 -65.30 -41.05 3.80 0.23 95.97 1.23 0.59 2.16 94.48 1.32 0.03 0.14 0.05 19 I H H 35.10 16.09 12.23 28.22 93.17 51.08 -65.34 -41.06 3.97 0.29 95.74 1.40 0.65 2.15 94.11 1.39 0.03 0.20 0.07 20 E H H 125.25 3.07 16.42 20.20 93.19 49.22 -67.56 -38.79 5.73 0.11 94.16 1.23 0.63 3.84 92.34 1.83 0.02 0.07 0.03 21 R H H 169.15 1.26 16.63 16.79 96.66 42.22 -77.80 -34.53 11.44 0.09 88.47 1.23 1.17 9.02 86.83 1.63 0.04 0.04 0.04 22 E H H 95.75 6.36 14.87 22.29 101.82 27.35 -103.09 -0.53 34.34 0.13 65.53 3.69 5.46 24.08 65.28 1.32 0.04 0.04 0.10 23 N C T 79.38 9.30 16.55 27.16 95.33 -126.59 55.80 42.07 99.27 0.34 0.39 30.12 9.27 59.98 0.12 0.18 0.00 0.29 0.05 24 K E E 52.69 13.40 19.47 33.36 132.15 126.41 -129.26 151.37 44.70 55.26 0.04 38.72 4.43 0.19 0.01 0.04 0.00 55.91 0.70 25 L E E 13.53 21.00 20.53 41.66 117.69 -135.32 -103.43 131.83 8.31 91.68 0.01 8.29 0.18 0.01 0.00 0.00 0.00 91.34 0.18 26 T E E 19.72 16.40 25.10 41.59 122.17 -160.31 -113.99 133.08 2.96 97.04 0.00 2.94 0.03 0.00 0.00 0.00 0.00 96.99 0.04 27 F E E 8.10 24.07 21.37 45.20 128.33 -171.47 -125.47 141.60 0.54 99.46 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 28 I E E 40.55 13.13 26.84 40.60 115.49 -148.14 -103.88 125.10 0.27 99.73 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.72 0.01 29 V E E 6.06 24.25 16.82 41.27 129.62 -174.66 -123.80 149.12 2.41 97.59 0.00 2.42 0.05 0.00 0.00 0.00 0.00 97.41 0.12 30 D C C 45.99 9.49 21.98 32.27 110.25 -106.66 -72.07 134.25 50.92 49.05 0.03 51.01 0.53 0.04 0.00 0.02 0.00 47.93 0.47 31 R C T 121.50 11.78 15.82 28.12 91.52 -128.19 -63.89 -24.01 98.94 0.54 0.52 0.56 5.06 93.50 0.02 0.46 0.00 0.34 0.06 32 R C T 172.28 1.46 20.88 21.36 92.81 59.62 -86.91 -4.99 99.42 0.19 0.39 0.74 4.28 94.43 0.01 0.38 0.00 0.13 0.02 33 A C C 10.29 21.24 9.14 29.93 116.45 115.96 -70.04 141.83 99.32 0.53 0.15 72.94 26.18 0.23 0.05 0.08 0.00 0.19 0.33 34 T C C 66.77 3.15 24.25 26.17 125.71 -138.95 -95.04 166.49 96.39 3.47 0.14 95.52 0.75 0.03 0.10 0.01 0.00 0.32 3.27 35 K H H 88.98 15.16 14.41 29.17 91.06 -103.31 -58.08 -38.52 0.88 0.00 99.12 0.10 0.10 0.54 99.14 0.13 0.00 0.00 0.00 36 Q H H 117.86 2.09 22.04 23.34 91.55 52.38 -63.91 -40.47 0.48 0.00 99.52 0.03 0.03 0.35 99.44 0.14 0.00 0.00 0.00 37 D H H 48.92 9.13 20.50 30.47 91.87 49.41 -65.43 -40.71 0.16 0.00 99.84 0.02 0.01 0.10 99.75 0.12 0.00 0.00 0.00 38 I H H 2.13 26.67 15.37 42.77 91.25 50.12 -63.69 -43.36 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 39 K H H 76.00 13.77 22.20 35.06 91.49 51.61 -62.13 -42.47 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 40 R H H 129.28 2.55 26.44 27.99 91.71 49.53 -64.34 -41.97 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 41 A H H 8.87 15.41 20.85 37.33 91.59 50.21 -63.63 -43.26 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 42 V H H 2.53 25.63 17.30 43.36 91.86 48.76 -64.34 -43.19 0.03 0.00 99.97 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 43 E H H 70.67 10.60 19.35 30.34 92.14 50.34 -63.61 -42.00 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 44 E H H 127.75 2.18 21.66 23.20 92.86 47.36 -66.95 -40.59 0.12 0.00 99.88 0.00 0.00 0.11 99.85 0.04 0.00 0.00 0.00 45 M H H 56.01 13.97 17.17 31.01 96.07 40.64 -76.19 -38.95 0.93 0.00 99.07 0.01 0.02 0.90 99.00 0.06 0.00 0.00 0.00 46 F H H 31.97 18.32 14.16 32.54 102.32 25.98 -108.07 1.28 13.03 0.02 86.94 0.50 1.18 10.68 87.37 0.23 0.01 0.01 0.01 47 N C T 126.15 1.72 21.39 22.66 94.25 -123.94 56.33 42.40 99.79 0.04 0.17 21.60 10.56 67.67 0.08 0.05 0.00 0.03 0.01 48 V C C 17.60 20.23 11.36 31.43 128.36 136.65 -120.10 150.26 97.44 2.53 0.02 79.32 18.20 0.17 0.01 0.01 0.00 1.99 0.30 49 K C C 120.73 3.27 24.86 27.98 113.78 -127.70 -90.43 129.26 92.91 7.08 0.01 92.58 0.52 0.03 0.00 0.00 0.00 6.71 0.15 50 V E E 19.83 23.36 11.22 33.97 111.89 -138.05 -85.07 123.00 29.62 70.35 0.03 31.61 0.23 0.02 0.01 0.01 0.00 67.02 1.10 51 A E E 58.09 4.81 21.41 26.72 99.10 -175.05 -86.92 -35.20 25.63 74.35 0.02 13.86 11.30 0.24 0.00 0.02 0.00 74.42 0.15 52 K E E 99.09 4.33 23.62 28.68 138.95 -2.95 -153.97 152.21 5.03 94.96 0.01 3.93 0.77 0.06 0.00 0.01 0.00 95.18 0.05 53 V E E 30.58 22.73 11.94 33.52 125.71 -163.84 -131.15 131.07 4.50 95.50 0.00 4.29 0.10 0.00 0.00 0.00 0.00 95.56 0.04 54 N E E 69.07 5.68 23.86 29.81 127.46 -173.28 -128.69 141.72 4.33 95.67 0.00 3.71 0.20 0.01 0.00 0.00 0.00 96.05 0.03 55 T E E 46.57 17.63 13.48 30.45 125.07 -159.67 -120.93 136.51 1.89 98.11 0.00 1.74 0.05 0.00 0.00 0.00 0.00 98.18 0.02 56 L E E 69.20 6.95 18.16 26.51 126.66 -173.17 -126.13 142.81 0.52 99.48 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.50 0.02 57 V E E 78.80 7.60 13.06 22.42 116.42 -144.03 -103.76 124.94 1.42 98.58 0.00 1.38 0.04 0.00 0.00 0.00 0.00 98.37 0.21 58 T C C 45.51 7.60 9.52 19.21 123.85 -146.50 -86.96 168.83 90.41 9.55 0.04 90.48 0.39 0.06 0.01 0.02 0.00 8.74 0.30 59 M C T 163.68 0.77 10.39 11.27 91.41 -98.84 -63.17 -24.79 96.80 1.11 2.08 2.39 6.20 87.87 0.07 2.42 0.00 0.88 0.17 60 K C T 159.68 0.82 11.75 11.96 93.44 56.26 -86.59 0.78 97.84 0.11 2.05 1.66 4.76 91.04 0.07 2.37 0.00 0.07 0.03 61 G C S 41.77 4.74 12.05 18.58 97.69 -101.64 86.85 6.62 97.87 0.45 1.68 21.86 70.20 5.60 0.09 1.85 0.00 0.25 0.16 62 E C C 75.87 7.01 14.37 23.21 118.54 136.84 -82.83 144.57 87.68 12.29 0.03 86.67 1.41 0.08 0.00 0.01 0.00 11.11 0.72 63 K E E 54.01 13.53 15.18 29.85 118.09 -130.74 -95.55 135.90 0.87 99.13 0.00 0.86 0.02 0.00 0.00 0.00 0.00 98.98 0.14 64 K E E 54.25 12.64 20.93 34.03 129.72 -173.55 -128.85 146.84 0.25 99.75 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 65 A E E 7.77 20.62 18.50 39.52 124.95 -151.05 -119.08 138.77 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 66 Y E E 46.34 13.06 24.25 37.93 122.98 -163.98 -117.68 134.65 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 67 V E E 8.21 22.57 18.90 41.63 123.93 -169.40 -121.06 133.97 0.83 99.17 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.20 0.01 68 K E E 77.01 9.50 26.04 35.95 118.05 -154.23 -104.77 129.88 3.46 96.54 0.00 3.32 0.06 0.00 0.00 0.00 0.00 96.54 0.08 69 L E E 11.84 23.22 12.91 36.05 121.18 -150.55 -95.92 145.76 20.39 79.60 0.00 20.23 0.45 0.01 0.00 0.00 0.00 76.48 2.83 70 K C C 88.69 6.13 20.11 26.78 116.49 -109.44 -72.55 149.03 98.51 1.48 0.01 98.21 0.55 0.03 0.00 0.00 0.00 1.11 0.09 71 P C T 91.53 6.99 14.04 22.50 92.71 -106.91 -61.01 -28.49 99.03 0.23 0.74 0.78 4.85 93.50 0.03 0.66 0.00 0.13 0.05 72 E C T 151.05 1.31 17.58 17.97 94.56 59.37 -82.10 -6.44 99.08 0.17 0.75 1.16 4.11 93.81 0.03 0.75 0.00 0.12 0.03 73 Y C C 53.72 16.77 10.60 26.96 117.02 100.30 -88.68 135.99 97.01 2.02 0.97 57.94 38.04 1.22 0.21 0.66 0.00 0.82 1.11 74 D C C 80.06 4.02 23.18 26.74 116.12 -142.10 -91.40 141.30 88.60 10.59 0.81 87.67 1.37 0.29 0.55 0.12 0.00 1.57 8.42 75 A H H 16.63 22.12 13.03 34.63 92.34 -125.31 -60.85 -35.56 6.34 0.07 93.59 2.58 1.07 2.93 91.07 2.28 0.01 0.04 0.02 76 S H H 61.11 6.30 20.00 26.98 91.72 58.84 -63.29 -39.54 2.71 0.04 97.25 0.74 0.31 1.54 95.55 1.81 0.01 0.03 0.01 77 E H H 92.23 3.75 21.54 25.14 92.07 50.59 -65.78 -40.03 1.36 0.05 98.59 0.52 0.18 0.65 96.88 1.72 0.00 0.04 0.01 78 I H H 12.35 18.84 15.44 34.81 92.08 50.19 -64.40 -43.21 1.29 0.09 98.62 0.49 0.19 0.61 97.56 1.06 0.00 0.07 0.01 79 A H H 18.24 14.66 15.10 30.67 91.73 50.81 -63.07 -42.10 2.24 0.14 97.62 0.85 0.28 1.12 96.45 1.17 0.01 0.12 0.02 80 A H H 67.17 2.44 17.82 20.09 92.29 50.63 -65.14 -40.12 4.33 0.14 95.53 0.88 0.41 2.88 93.20 2.46 0.02 0.12 0.03 81 R H H 140.58 4.14 16.00 21.37 92.09 51.87 -66.89 -32.13 12.11 0.11 87.78 0.84 0.71 10.57 85.20 2.52 0.05 0.07 0.04 82 L C T 50.46 14.09 11.36 25.67 94.40 51.33 -85.45 -4.93 61.38 0.14 38.48 0.93 1.85 58.31 36.31 2.41 0.02 0.06 0.10 83 G C T 56.81 2.01 16.08 18.44 96.80 -112.87 73.89 17.72 98.13 0.08 1.79 3.99 2.39 92.08 1.21 0.26 0.00 0.03 0.03 84 L C C 77.04 9.44 10.55 21.04 104.30 122.11 -91.69 26.63 97.89 1.02 1.09 93.97 1.08 3.16 0.54 0.25 0.00 0.50 0.50 85 F C C 114.86 8.62 13.53 22.98 109.73 111.14 -92.56 98.30 99.73 0.26 0.01 99.71 0.10 0.02 0.01 0.00 0.00 0.13 0.03