# 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 111.73 6.94 12.17 20.35 114.19 -156.16 -91.36 130.81 99.91 0.08 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.03 0.01 1 G C C 49.18 4.51 10.76 16.93 114.77 -135.52 -83.64 158.60 94.42 3.91 1.68 90.22 1.02 3.81 0.56 0.68 0.00 2.26 1.44 2 R C C 167.97 2.87 10.20 14.76 111.12 -125.37 -94.61 113.54 88.64 8.11 3.25 62.52 17.64 8.27 1.10 2.24 0.00 4.97 3.26 3 T C C 83.08 6.40 9.24 17.07 115.26 -149.87 -95.58 133.58 86.44 9.31 4.25 64.39 15.42 6.41 1.68 2.65 0.00 6.38 3.07 4 T C C 93.80 4.02 11.90 17.56 112.82 -146.96 -92.03 123.73 84.01 10.48 5.51 58.83 19.48 5.90 2.84 2.66 0.01 7.34 2.95 5 K C C 132.37 5.03 11.36 18.18 112.99 -129.88 -90.54 124.90 81.97 12.16 5.87 60.91 14.85 5.81 3.45 2.59 0.01 8.11 4.26 6 V C C 86.87 7.01 10.92 19.25 115.45 -170.24 -105.55 127.13 82.33 10.40 7.27 60.40 16.19 4.99 5.57 2.22 0.01 5.82 4.80 7 G C C 39.16 4.53 15.13 20.57 120.95 13.10 81.14 -162.57 66.44 4.00 29.56 30.72 23.18 13.70 17.58 11.02 0.08 2.07 1.65 8 S H G 68.14 5.58 14.93 21.47 96.24 -25.86 -70.79 -27.62 41.97 1.72 56.31 10.70 8.93 22.09 23.62 32.79 0.13 0.95 0.78 9 A H G 42.58 11.97 12.01 24.40 95.82 60.55 -71.62 -24.30 33.19 1.79 65.02 7.27 5.87 18.83 27.20 38.88 0.19 1.05 0.69 10 G H G 37.89 7.63 14.63 23.33 96.55 65.24 -68.97 -28.11 31.78 3.18 65.04 12.05 6.19 13.78 23.19 41.78 0.07 2.00 0.95 11 R C G 155.33 3.22 15.94 20.07 97.58 64.92 -80.08 -11.73 47.77 4.96 47.27 15.34 10.47 22.31 16.80 29.99 0.24 3.12 1.73 12 F C C 99.68 9.42 11.87 22.07 103.88 69.24 -90.57 13.43 66.56 7.81 25.63 33.47 15.93 18.11 9.78 14.59 0.19 3.45 4.49 13 G C C 32.69 6.21 13.62 21.17 125.25 -137.37 95.72 174.41 89.04 4.38 6.58 63.39 19.44 5.81 2.47 4.19 0.00 2.06 2.65 14 P C T 102.06 3.64 12.07 17.05 98.57 -56.42 -69.36 -12.72 73.03 2.25 24.72 20.45 15.99 37.53 4.70 19.09 0.02 1.18 1.05 15 R C T 175.85 1.73 12.90 15.07 99.54 64.12 -80.66 -4.87 71.35 3.03 25.62 19.90 15.27 37.38 5.96 18.37 0.05 1.61 1.45 16 Y C C 116.34 7.60 10.58 19.25 103.19 67.83 -92.96 32.99 69.24 6.11 24.65 26.88 24.29 19.43 9.25 13.67 0.15 2.73 3.61 17 G C C 31.37 5.46 13.94 20.95 113.54 -71.03 94.09 140.18 85.53 3.25 11.23 65.16 11.66 8.16 8.79 2.79 0.00 1.45 1.98 18 L H H 103.90 4.30 12.99 18.66 94.33 -101.18 -64.02 -34.89 8.20 0.10 91.70 4.36 1.89 2.02 91.08 0.57 0.00 0.03 0.04 19 K H H 136.57 1.48 16.34 17.18 92.23 54.92 -64.61 -40.51 2.39 0.03 97.58 0.79 0.35 1.14 97.30 0.39 0.00 0.01 0.01 20 I H H 58.46 8.32 14.47 24.31 92.38 49.35 -66.17 -40.71 1.03 0.02 98.95 0.38 0.11 0.48 98.66 0.34 0.00 0.01 0.00 21 R H H 82.42 11.15 14.26 26.17 91.95 52.23 -63.60 -40.81 0.41 0.00 99.58 0.14 0.04 0.18 99.52 0.12 0.00 0.00 0.00 22 R H H 141.93 2.15 19.61 21.24 91.90 50.70 -64.52 -40.58 0.26 0.00 99.74 0.06 0.02 0.13 99.74 0.05 0.00 0.00 0.00 23 R H H 118.21 4.11 19.75 24.19 91.93 49.93 -64.98 -41.77 0.23 0.00 99.77 0.04 0.01 0.12 99.79 0.04 0.00 0.00 0.00 24 V H H 31.26 14.71 16.41 31.57 92.35 49.45 -64.40 -42.42 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 25 A H H 42.36 6.58 19.01 26.74 91.69 51.03 -63.47 -41.24 0.14 0.00 99.86 0.02 0.00 0.08 99.88 0.02 0.00 0.00 0.00 26 A H H 55.77 2.61 21.00 22.78 91.67 50.29 -64.44 -41.28 0.30 0.00 99.70 0.03 0.01 0.19 99.74 0.03 0.00 0.00 0.00 27 V H H 38.11 9.91 17.26 28.60 92.29 49.47 -64.93 -42.32 0.37 0.00 99.63 0.05 0.02 0.21 99.68 0.04 0.00 0.00 0.00 28 E H H 58.82 11.36 16.27 28.43 92.17 50.62 -64.23 -41.12 0.47 0.00 99.53 0.08 0.03 0.26 99.54 0.09 0.00 0.00 0.00 29 A H H 59.18 2.95 18.38 21.36 91.56 51.29 -64.33 -40.68 1.26 0.00 98.73 0.19 0.08 0.81 98.59 0.31 0.00 0.00 0.00 30 R H H 129.40 3.85 17.46 22.02 92.41 50.00 -67.87 -35.71 3.66 0.01 96.33 0.42 0.25 2.75 95.78 0.78 0.01 0.00 0.01 31 M H H 61.81 13.76 12.50 26.40 92.24 58.86 -69.29 -24.65 18.29 0.06 81.65 1.05 1.09 16.00 80.52 1.24 0.03 0.02 0.04 32 K C H 136.82 3.69 16.42 21.08 94.66 54.55 -86.64 -5.31 53.49 0.21 46.29 3.14 3.46 45.03 46.08 2.03 0.03 0.07 0.15 33 Q C C 97.80 4.86 14.69 21.35 118.74 106.59 -79.42 146.53 93.67 1.15 5.18 51.97 37.01 4.62 4.13 1.13 0.00 0.40 0.73 34 K C C 137.00 4.36 16.54 22.38 112.15 -104.07 -72.48 134.56 90.82 6.56 2.62 76.86 10.32 3.53 1.20 1.37 0.00 4.50 2.23 35 H C C 44.51 16.63 12.15 28.60 121.17 -166.52 -116.94 137.97 63.79 35.13 1.08 45.17 16.05 2.27 0.48 0.77 0.01 27.56 7.69 36 V E B 83.12 5.02 21.58 27.07 120.62 -151.59 -108.25 134.83 16.30 83.56 0.14 13.68 0.91 0.04 0.12 0.02 0.00 20.81 64.41 37 C C C 10.84 20.01 10.15 30.59 109.50 -115.48 -70.12 126.73 96.62 3.36 0.02 96.80 0.51 0.05 0.01 0.01 0.00 1.96 0.66 38 P C T 79.37 5.13 17.88 24.40 92.15 -147.40 -67.15 -23.67 99.65 0.09 0.26 0.80 6.31 92.53 0.01 0.26 0.00 0.06 0.03 39 V C T 84.89 6.36 15.68 23.09 100.87 43.35 -85.24 -40.38 99.62 0.09 0.29 0.12 3.36 96.20 0.00 0.25 0.00 0.04 0.03 40 C C T 64.41 5.66 13.74 20.99 102.42 19.27 -107.38 -14.35 99.57 0.11 0.32 0.34 4.10 95.18 0.01 0.30 0.00 0.05 0.03 41 G C C 49.60 3.63 14.42 19.47 94.77 -119.44 79.47 6.51 99.04 0.75 0.21 73.76 19.94 5.24 0.05 0.17 0.00 0.32 0.51 42 R C C 110.33 5.84 14.61 22.27 117.88 140.18 -78.34 145.28 95.22 4.67 0.11 73.79 21.46 0.44 0.03 0.08 0.00 2.36 1.83 43 K E B 119.82 7.35 18.10 26.47 110.24 -107.63 -77.23 131.24 18.45 81.40 0.15 15.73 1.55 0.09 0.13 0.05 0.00 23.80 58.66 44 A C C 23.55 14.11 19.21 33.54 113.81 164.27 -118.02 5.24 75.24 24.74 0.03 67.75 5.97 0.12 0.00 0.03 0.00 25.54 0.58 45 V E E 12.28 23.11 15.48 38.32 126.84 -58.50 -120.04 139.38 23.06 76.92 0.02 22.12 0.81 0.04 0.00 0.02 0.00 75.65 1.36 46 R E E 113.42 6.17 24.85 31.71 127.07 -166.21 -124.77 139.39 4.06 95.94 0.00 4.02 0.10 0.00 0.00 0.00 0.00 95.67 0.22 47 R E E 82.63 16.57 13.64 29.87 109.62 -118.15 -77.22 123.36 3.13 96.86 0.00 3.11 0.06 0.00 0.00 0.00 0.00 96.41 0.41 48 I E E 89.94 5.60 18.39 25.24 99.93 176.48 -97.51 -29.34 24.69 75.27 0.04 16.79 6.67 0.31 0.00 0.03 0.00 75.99 0.21 49 S E E 47.24 3.69 20.99 24.88 140.45 -13.41 -160.83 167.27 31.46 68.29 0.25 6.39 20.76 5.68 0.02 0.25 0.00 65.91 0.99 50 T C T 80.08 8.00 19.06 27.62 108.91 -59.49 -62.98 129.76 99.50 0.33 0.18 0.80 17.06 81.68 0.00 0.19 0.00 0.22 0.04 51 G C T 13.07 16.32 17.85 34.10 95.75 10.01 85.11 -1.90 99.37 0.54 0.09 0.73 15.32 83.37 0.00 0.10 0.00 0.46 0.03 52 I E E 35.55 11.48 21.06 34.32 122.00 106.05 -113.33 130.68 5.16 94.84 0.00 4.42 0.31 0.01 0.00 0.00 0.00 95.15 0.12 53 W E E 16.53 21.01 17.88 39.22 128.18 -174.81 -123.83 145.75 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 54 Q E E 61.42 9.26 25.00 34.82 124.32 -156.62 -119.24 136.18 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.87 0.02 55 C E E 7.29 20.60 12.88 34.72 109.25 -120.56 -76.14 124.86 16.32 83.68 0.00 16.47 0.18 0.01 0.00 0.00 0.00 83.02 0.32 56 Q C T 102.49 5.52 19.35 26.11 93.90 -154.02 -69.31 -29.85 99.24 0.22 0.54 0.38 4.43 94.48 0.01 0.50 0.00 0.16 0.04 57 K C T 120.60 4.80 17.26 23.16 98.02 47.29 -78.83 -39.90 99.41 0.04 0.55 0.05 1.87 97.67 0.01 0.37 0.00 0.02 0.01 58 C C T 56.20 8.07 14.41 23.92 101.94 20.60 -106.08 -12.42 99.52 0.04 0.43 0.14 1.90 97.60 0.01 0.32 0.00 0.02 0.01 59 G C C 47.23 4.15 17.39 22.66 94.59 -119.73 79.82 7.74 99.45 0.45 0.10 84.80 5.10 9.57 0.02 0.07 0.00 0.29 0.14 60 A C C 34.90 11.14 14.06 26.90 118.25 147.00 -73.14 146.70 92.82 7.17 0.01 92.52 0.93 0.04 0.00 0.00 0.00 6.22 0.29 61 T E E 76.88 7.86 20.74 29.68 122.55 -143.15 -110.76 138.76 0.80 99.19 0.00 0.85 0.02 0.00 0.00 0.00 0.00 98.22 0.91 62 F E E 31.63 21.11 14.80 35.22 131.77 -173.79 -128.57 150.34 0.98 99.02 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.82 0.13 63 A E E 53.85 8.71 23.40 32.22 114.18 -150.95 -105.68 116.21 24.50 75.46 0.04 19.84 3.57 0.35 0.01 0.04 0.00 75.83 0.38 64 G C C 20.46 11.60 21.54 33.50 137.94 55.59 144.18 -173.73 63.37 36.44 0.19 42.00 19.39 2.13 0.03 0.22 0.00 34.63 1.60 65 G C C 19.77 13.35 20.98 33.98 131.39 -80.96 121.42 156.42 75.64 23.79 0.57 58.29 13.83 3.18 0.16 0.55 0.00 18.13 5.86 66 A C S 32.83 18.16 17.46 34.85 94.49 -84.66 -74.47 -23.89 92.50 6.76 0.74 12.04 60.96 19.74 0.08 0.72 0.00 5.05 1.41 67 Y C S 113.00 9.63 21.00 30.34 103.22 34.64 -98.11 -24.73 93.06 6.25 0.69 8.27 68.92 16.28 0.08 0.59 0.00 4.13 1.72 68 L C S 86.39 6.18 22.01 28.85 118.14 23.27 -126.04 107.63 88.08 11.34 0.57 29.61 55.70 3.41 0.16 0.44 0.00 6.55 4.13 69 P C C 31.00 20.53 13.30 32.96 109.56 -151.64 -68.29 130.04 91.39 7.67 0.94 51.45 30.22 10.22 0.21 0.85 0.00 4.78 2.26 70 T C C 78.12 7.19 20.70 28.48 107.00 76.81 -104.07 64.79 90.09 8.69 1.22 64.83 19.39 5.23 0.45 0.82 0.00 3.82 5.44 71 T C C 33.32 13.88 13.25 27.71 126.57 155.47 -107.16 159.27 95.78 2.06 2.16 72.94 21.33 1.28 1.82 0.45 0.00 0.73 1.45 72 P H H 101.46 2.08 19.79 21.65 91.43 -104.84 -59.31 -35.85 28.41 0.39 71.21 5.65 4.97 18.59 62.42 7.84 0.12 0.20 0.21 73 A H H 43.02 9.44 17.39 27.77 91.86 53.81 -66.14 -36.16 25.75 0.32 73.93 4.28 3.28 18.04 65.84 8.12 0.10 0.17 0.17 74 G H H 6.98 18.74 13.31 32.22 92.77 52.35 -66.06 -38.13 20.78 0.95 78.27 10.01 3.54 8.33 69.01 8.16 0.05 0.57 0.34 75 K H H 107.31 4.86 20.38 25.75 91.82 55.39 -64.14 -41.21 11.15 0.86 87.99 7.92 1.81 2.67 85.02 1.85 0.01 0.51 0.20 76 V H H 74.58 3.39 21.11 24.07 91.89 49.76 -65.11 -42.09 5.80 1.09 93.10 3.82 0.89 1.72 91.49 1.16 0.01 0.78 0.14 77 A H H 20.86 13.80 16.13 30.82 92.13 50.79 -64.58 -41.67 4.18 0.75 95.07 2.70 0.57 1.29 93.74 1.05 0.01 0.57 0.07 78 K H H 94.59 9.64 17.84 27.97 91.78 51.38 -63.67 -40.73 4.35 0.65 95.00 2.57 0.60 1.50 93.71 1.04 0.01 0.50 0.06 79 R H H 142.47 1.91 19.41 20.48 92.18 50.01 -65.06 -40.17 5.60 0.61 93.80 2.92 0.77 2.16 92.52 1.09 0.01 0.45 0.07 80 V H H 70.56 4.42 16.55 21.87 92.54 49.08 -66.74 -40.46 7.68 0.63 91.69 3.92 1.13 2.93 90.34 1.15 0.02 0.44 0.09 81 T H H 46.32 9.66 12.39 23.35 93.21 50.00 -66.85 -38.72 11.46 0.74 87.80 5.93 1.73 4.17 86.05 1.48 0.02 0.48 0.15 82 A H H 67.91 3.45 12.85 17.59 93.50 53.77 -67.56 -33.44 19.29 0.76 79.95 7.97 2.77 8.77 77.75 2.05 0.03 0.46 0.21 83 S H H 87.13 1.26 11.84 13.35 95.35 54.61 -73.98 -22.88 35.34 0.92 63.74 11.78 5.07 19.10 60.80 2.38 0.04 0.45 0.38 84 K C H 143.51 2.43 9.78 13.60 99.33 60.85 -80.52 -4.22 57.62 0.76 41.62 32.22 1.92 21.72 41.80 1.63 0.00 0.33 0.39 85 A C C 75.16 4.34 10.56 16.49 103.90 89.30 -80.02 19.74 99.84 0.04 0.11 99.63 0.10 0.15 0.09 0.00 0.00 0.02 0.01