# 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 S C C 69.01 6.42 15.84 23.53 118.03 80.46 -100.14 138.88 99.88 0.11 0.00 99.85 0.05 0.02 0.00 0.00 0.00 0.06 0.00 1 G C C 38.54 6.78 15.46 23.35 122.32 103.43 125.05 -177.08 86.66 12.96 0.38 83.52 1.33 1.73 0.09 0.21 0.00 11.54 1.58 2 R C C 121.39 8.42 16.20 25.44 119.06 -91.05 -101.66 137.01 69.26 30.09 0.66 54.34 11.17 2.68 0.11 0.64 0.00 29.61 1.45 3 L C E 41.81 16.38 16.29 32.53 117.44 -147.83 -99.04 132.17 50.16 49.42 0.42 36.63 11.09 1.82 0.07 0.39 0.00 49.12 0.87 4 W E E 86.24 13.38 20.62 33.83 132.31 -174.33 -131.20 149.34 19.14 80.69 0.16 15.41 3.42 0.45 0.04 0.11 0.00 79.96 0.62 5 S E E 11.12 20.48 17.89 38.30 134.37 -172.21 -138.17 151.43 7.10 92.86 0.04 6.19 0.73 0.07 0.01 0.02 0.00 92.83 0.16 6 K E E 90.57 9.36 25.38 35.13 121.15 -132.42 -105.25 136.73 3.61 96.38 0.01 3.11 0.24 0.01 0.00 0.00 0.00 96.58 0.05 7 A E E 6.04 23.86 16.52 40.51 135.90 171.62 -141.40 156.70 2.80 97.20 0.00 2.48 0.10 0.00 0.00 0.00 0.00 97.40 0.02 8 I E E 53.26 9.53 26.20 36.72 121.10 -135.69 -113.28 133.10 0.49 99.51 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 9 F E E 26.22 22.27 16.92 39.14 111.97 -128.66 -82.44 125.95 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.02 10 A E E 37.23 9.95 22.86 33.57 101.82 177.13 -98.90 -24.69 4.62 95.34 0.04 3.39 0.79 0.13 0.01 0.02 0.00 95.60 0.07 11 G E E 15.03 10.05 23.50 34.56 145.15 -32.74 172.29 173.06 16.34 83.57 0.09 10.35 5.41 0.52 0.01 0.05 0.00 83.47 0.19 12 Y E E 67.30 17.49 15.86 32.84 132.13 -128.13 -133.85 150.23 26.99 72.58 0.43 24.82 1.84 0.35 0.22 0.22 0.00 70.08 2.47 13 K C C 90.62 8.65 17.54 27.14 118.80 -133.41 -102.28 134.07 59.70 39.24 1.06 50.40 6.63 1.73 0.41 0.70 0.00 35.80 4.31 14 R C C 133.69 7.17 13.52 22.04 114.29 -139.33 -90.78 133.08 74.75 22.20 3.05 41.48 23.83 10.85 0.82 2.36 0.02 17.19 3.45 15 G C C 35.24 5.76 12.10 19.37 123.16 37.69 104.65 170.26 84.23 10.42 5.35 40.14 27.60 17.24 1.16 4.42 0.01 6.50 2.93 16 L C T 126.49 2.87 10.65 14.57 99.59 -82.32 -75.45 -24.36 78.05 3.69 18.26 14.78 28.67 35.11 2.37 15.36 0.03 1.86 1.83 17 R C T 188.74 0.87 11.86 12.33 100.21 28.89 -81.42 -20.62 79.83 1.71 18.46 8.90 26.10 44.69 2.29 16.13 0.02 0.87 0.99 18 N C T 105.31 3.85 11.16 16.34 107.56 21.92 -100.61 69.65 75.25 7.53 17.22 20.51 26.47 29.74 2.26 14.08 0.04 4.39 2.50 19 Q C C 93.89 7.89 10.64 19.91 114.45 137.97 -88.29 131.40 75.05 20.32 4.63 51.16 15.21 8.14 1.52 3.39 0.02 12.88 7.68 20 R C C 112.13 8.25 14.11 23.55 116.25 -155.73 -100.10 125.19 75.40 21.78 2.82 63.28 7.71 3.53 0.92 1.98 0.00 16.82 5.76 21 E C S 102.68 7.56 17.24 25.63 106.78 -158.95 -76.96 -11.61 82.69 15.81 1.50 19.54 35.58 28.42 0.16 1.40 0.00 13.69 1.20 22 H C S 86.51 11.23 18.71 29.94 100.27 28.00 -26.14 30.74 74.34 24.89 0.77 20.59 26.81 26.20 0.05 0.83 0.00 24.98 0.54 23 T E E 25.19 14.77 19.73 35.31 125.52 127.79 -111.74 143.91 29.36 70.61 0.03 25.99 2.13 0.13 0.01 0.03 0.00 71.36 0.36 24 A E E 6.74 21.08 20.65 41.82 128.10 -164.72 -124.72 144.97 1.99 98.01 0.00 1.79 0.08 0.00 0.00 0.00 0.00 98.09 0.04 25 L E E 26.02 15.55 25.67 41.35 116.91 -144.26 -103.83 127.21 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.01 26 L E E 4.47 25.13 20.39 45.78 120.31 -162.05 -111.34 130.53 0.67 99.33 0.00 0.53 0.04 0.00 0.00 0.00 0.00 99.43 0.01 27 K E E 73.04 11.25 27.08 38.42 119.00 -162.12 -112.62 126.84 0.40 99.60 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 28 I E E 6.50 24.76 17.22 42.50 118.47 -165.41 -112.04 126.13 1.49 98.51 0.00 1.41 0.03 0.00 0.00 0.00 0.00 98.51 0.05 29 E E E 90.34 7.44 24.58 32.28 122.77 -158.15 -101.30 143.97 10.12 89.83 0.05 3.48 3.47 2.01 0.00 0.05 0.00 90.87 0.12 30 G E E 30.56 6.92 23.72 32.01 95.92 20.90 80.53 12.48 33.69 66.25 0.07 7.07 17.16 6.62 0.00 0.08 0.00 68.90 0.17 31 V E E 9.23 23.51 12.63 36.41 113.05 149.72 -84.97 127.28 29.82 70.12 0.06 29.69 0.63 0.05 0.03 0.03 0.00 65.64 3.93 32 Y C C 115.51 7.42 22.30 30.38 104.02 171.35 -109.90 -13.79 85.04 14.90 0.07 68.41 16.91 0.37 0.02 0.06 0.00 12.81 1.42 33 A C S 42.94 6.05 22.16 28.60 131.68 41.76 -128.96 154.09 94.97 2.11 2.92 17.69 75.94 1.61 2.82 0.30 0.00 0.79 0.86 34 R H H 116.54 12.35 14.16 26.76 91.88 -114.22 -59.12 -38.40 5.65 0.02 94.33 0.51 0.77 4.05 85.44 9.20 0.02 0.01 0.01 35 D H H 108.60 1.51 21.04 21.48 91.50 53.78 -63.83 -36.68 3.76 0.01 96.23 0.44 0.31 2.76 86.35 10.12 0.00 0.01 0.00 36 E H H 54.16 11.73 18.04 30.48 92.41 49.39 -68.29 -36.69 2.58 0.02 97.40 0.49 0.24 1.65 87.15 10.44 0.00 0.01 0.00 37 T H H 3.68 25.37 12.99 38.48 92.62 51.64 -68.19 -36.60 3.43 0.01 96.55 0.50 0.31 2.33 89.50 7.35 0.01 0.01 0.00 38 E H H 101.53 8.38 21.63 30.60 91.22 59.46 -62.63 -35.79 6.14 0.01 93.85 0.31 0.24 5.24 59.09 35.11 0.00 0.01 0.00 39 F H H 103.66 6.58 23.19 30.11 91.23 57.29 -68.14 -26.97 14.84 0.01 85.15 0.23 0.31 14.78 47.40 37.27 0.01 0.00 0.00 40 Y H G 10.76 23.23 17.19 40.81 95.21 48.21 -90.81 -8.35 28.75 0.06 71.18 0.93 0.97 26.33 33.04 38.65 0.01 0.03 0.04 41 L C T 43.87 17.78 17.22 35.12 111.79 113.32 -63.15 132.07 96.24 0.90 2.87 0.80 1.40 94.93 1.31 0.59 0.00 0.28 0.68 42 G C T 35.47 6.90 22.78 30.89 95.40 20.81 87.54 -5.07 99.14 0.39 0.48 0.62 1.94 96.82 0.08 0.26 0.00 0.24 0.04 43 K C C 62.04 15.01 20.08 34.91 119.16 128.79 -79.50 147.53 96.13 3.85 0.01 89.52 6.33 0.08 0.00 0.01 0.00 3.95 0.12 44 R E E 87.16 13.93 23.78 36.99 122.50 -141.91 -104.64 140.30 3.07 96.93 0.00 3.27 0.06 0.00 0.00 0.00 0.00 95.79 0.87 45 C E E 4.43 23.67 20.48 44.04 137.41 -169.91 -141.05 156.79 0.51 99.49 0.00 0.46 0.02 0.00 0.00 0.00 0.00 99.51 0.01 46 A E E 10.68 18.14 25.30 43.50 124.01 -134.26 -114.75 140.58 0.17 99.83 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 47 Y E E 14.24 22.27 22.40 44.18 126.83 -167.53 -123.00 140.35 0.20 99.80 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 48 V E E 22.62 15.69 23.85 39.98 117.83 -150.95 -107.08 127.18 1.33 98.66 0.00 1.13 0.04 0.00 0.00 0.00 0.00 98.81 0.02 49 Y E E 25.84 18.78 18.75 37.65 128.45 -174.29 -123.58 145.38 3.84 96.15 0.01 3.38 0.22 0.01 0.00 0.00 0.00 96.24 0.14 50 K E E 96.79 7.87 22.28 30.59 118.32 -139.72 -101.61 130.31 17.22 82.72 0.07 15.27 1.47 0.15 0.02 0.05 0.00 82.19 0.86 51 A C C 18.70 17.65 10.68 28.18 116.24 -127.47 -86.97 143.88 60.80 38.19 1.00 55.79 3.28 0.94 0.26 0.71 0.00 36.69 2.33 52 K C S 139.66 2.82 16.31 19.72 100.07 -137.70 -74.00 -27.53 77.00 19.89 3.11 22.23 31.28 24.58 0.34 2.80 0.01 17.04 1.71 53 N C S 110.81 2.34 15.00 17.56 109.69 16.78 -110.69 102.44 80.13 16.94 2.93 12.37 38.45 29.95 0.25 2.61 0.01 14.83 1.53 54 N C C 107.89 5.82 11.83 19.19 99.90 -106.72 5.41 36.21 77.38 20.59 2.03 45.03 23.65 9.02 0.26 2.03 0.00 18.06 1.95 55 T C C 71.02 5.01 12.84 19.62 120.26 138.71 -100.42 142.03 57.77 41.87 0.36 43.97 11.65 1.56 0.10 0.33 0.00 36.77 5.61 56 V E B 89.67 5.81 11.65 19.31 116.77 -128.60 -95.01 132.58 26.40 73.39 0.20 22.62 3.03 0.20 0.15 0.08 0.00 33.81 40.11 57 T C C 51.89 7.72 9.02 18.63 121.27 -139.82 -89.60 158.02 94.44 5.47 0.10 91.64 2.88 0.32 0.03 0.06 0.00 3.72 1.36 58 P C T 113.75 1.93 10.55 13.73 107.00 -91.86 -62.58 134.41 96.48 1.01 2.51 2.86 6.12 87.12 0.13 2.79 0.00 0.74 0.24 59 G C T 66.32 0.54 11.05 10.62 96.58 17.19 78.08 1.22 96.67 0.19 3.13 1.36 5.68 89.09 0.15 3.52 0.00 0.11 0.08 60 G C S 51.51 2.98 10.17 14.69 102.81 -92.87 86.89 4.42 95.49 1.63 2.89 17.67 70.75 7.02 0.27 2.62 0.00 0.84 0.83 61 K C C 134.97 2.00 11.65 14.96 117.96 129.30 -89.29 142.28 95.51 4.43 0.07 80.80 14.63 0.39 0.02 0.05 0.00 3.15 0.96 62 P E B 79.39 6.39 11.69 19.68 114.56 -104.04 -65.30 148.38 26.01 73.69 0.30 22.36 1.76 0.28 0.19 0.13 0.00 26.20 49.08 63 N C C 73.84 9.76 11.80 22.59 113.59 -134.11 -90.66 138.26 78.24 21.36 0.40 63.80 11.66 1.91 0.06 0.45 0.00 20.59 1.51 64 K C C 110.31 7.28 15.92 24.31 119.42 -145.10 -105.38 134.85 62.48 37.19 0.33 48.55 12.14 1.39 0.04 0.37 0.00 34.65 2.85 65 T E E 53.61 12.57 14.63 27.77 124.22 -167.21 -114.40 139.73 37.50 62.43 0.07 33.90 2.68 0.19 0.01 0.06 0.00 62.21 0.95 66 R E E 86.55 12.08 17.84 30.36 122.58 -164.21 -114.92 134.70 11.83 88.15 0.02 11.01 0.67 0.03 0.00 0.01 0.00 87.32 0.95 67 V E E 48.10 13.10 19.62 33.25 120.62 -151.42 -109.98 131.82 7.87 92.12 0.00 7.23 0.53 0.01 0.00 0.00 0.00 92.09 0.14 68 I E E 21.17 18.65 18.60 37.56 121.61 -165.55 -112.62 131.68 2.86 97.13 0.00 2.77 0.08 0.00 0.00 0.00 0.00 97.06 0.08 69 W E E 85.92 12.02 23.34 35.32 125.28 -169.12 -118.95 139.16 2.91 97.08 0.00 2.46 0.33 0.02 0.00 0.00 0.00 97.09 0.09 70 G E E 10.84 15.39 20.34 35.88 142.71 151.00 -151.78 -171.67 3.93 96.07 0.00 2.76 0.84 0.06 0.00 0.00 0.00 96.31 0.03 71 K E E 95.55 7.00 25.12 32.98 122.79 -83.80 -107.43 142.69 2.85 97.14 0.00 2.46 0.19 0.01 0.00 0.00 0.00 97.26 0.07 72 V E E 19.13 22.49 13.76 36.62 110.28 -115.36 -74.68 126.14 3.84 96.15 0.01 3.78 0.09 0.00 0.00 0.00 0.00 95.97 0.16 73 T E E 63.28 6.78 21.63 29.43 101.86 176.60 -100.82 -26.03 14.66 85.33 0.01 9.84 4.16 0.15 0.00 0.01 0.00 85.72 0.12 74 R E E 116.76 3.92 23.48 28.09 136.07 1.96 -151.65 151.93 9.33 90.66 0.02 5.94 3.07 0.19 0.00 0.01 0.00 90.64 0.15 75 A E E 45.42 16.36 14.29 30.08 115.91 -113.45 -81.68 136.82 19.08 80.85 0.07 18.48 0.66 0.07 0.02 0.04 0.00 79.60 1.13 76 H E E 72.49 10.47 15.27 26.75 110.85 -148.16 -100.14 119.90 43.20 56.45 0.35 39.12 2.55 0.50 0.17 0.22 0.00 49.35 8.09 77 G C T 43.92 6.35 15.79 23.22 111.97 -145.50 8.87 -141.65 85.44 2.72 11.84 6.24 20.65 57.15 0.28 13.15 0.00 1.96 0.57 78 N C T 125.36 3.04 15.62 18.77 95.39 -17.45 -74.34 -18.58 85.34 0.94 13.72 1.51 12.45 69.97 0.27 14.92 0.00 0.56 0.32 79 S C T 59.32 6.31 16.89 24.03 96.85 49.03 -95.41 -3.73 86.16 0.43 13.42 1.42 9.56 73.18 0.25 15.17 0.00 0.25 0.17 80 G C T 19.89 12.79 15.77 29.69 96.15 -110.77 82.20 9.67 96.84 1.31 1.85 20.25 23.84 52.66 0.19 1.91 0.00 0.91 0.24 81 M E E 48.10 11.69 19.74 32.59 119.10 141.39 -81.61 144.66 48.95 51.01 0.04 46.17 2.39 0.14 0.01 0.03 0.00 49.26 2.01 82 V E E 12.12 21.64 18.00 40.09 120.54 -143.68 -108.04 133.69 2.81 97.19 0.00 2.87 0.08 0.00 0.00 0.00 0.00 96.10 0.94 83 R E E 81.91 11.55 25.97 37.54 120.06 -156.43 -107.87 132.22 3.14 96.86 0.00 2.97 0.08 0.00 0.00 0.00 0.00 96.90 0.05 84 A E E 5.56 24.49 16.76 41.47 126.41 -172.27 -120.05 141.64 3.67 96.33 0.00 3.64 0.05 0.00 0.00 0.00 0.00 96.28 0.03 85 K E E 92.12 7.87 26.00 34.52 122.73 -160.31 -120.47 134.72 1.15 98.85 0.00 1.15 0.03 0.00 0.00 0.00 0.00 98.63 0.19 86 F E E 23.15 22.41 12.77 34.70 117.94 -145.51 -94.64 133.72 7.64 92.35 0.01 7.94 0.12 0.01 0.00 0.00 0.00 90.86 1.06 87 R C C 143.61 4.12 20.61 25.18 97.45 -159.60 -84.75 -21.27 82.55 16.85 0.59 44.07 34.03 3.78 0.03 0.73 0.00 16.83 0.53 88 S C S 53.97 4.45 20.44 25.19 136.48 14.55 -145.11 167.65 94.06 5.30 0.65 5.73 71.02 17.41 0.02 0.73 0.00 4.68 0.40 89 N C C 101.87 6.98 20.37 28.12 106.50 -83.01 -74.91 113.21 95.79 3.36 0.84 62.21 21.14 11.94 0.05 1.32 0.00 2.65 0.68 90 L C C 16.66 22.90 12.28 34.75 117.85 -155.12 -87.06 138.87 95.39 4.51 0.10 89.17 6.23 0.11 0.05 0.04 0.00 1.68 2.71 91 P C C 46.67 7.30 21.59 29.93 113.43 -107.53 -64.80 146.24 96.61 3.07 0.32 96.35 0.61 0.15 0.13 0.08 0.00 0.99 1.69 92 A H G 50.01 13.72 14.86 28.72 91.76 -117.30 -59.54 -32.82 24.50 0.19 75.31 2.91 2.99 17.43 13.56 62.93 0.00 0.11 0.07 93 K H G 142.45 3.08 20.23 23.99 90.34 63.97 -67.15 -21.19 19.03 0.15 80.82 1.59 1.84 14.35 15.67 66.41 0.00 0.10 0.04 94 A H G 19.59 18.00 15.34 33.26 93.25 61.72 -77.01 -16.33 15.67 0.19 84.13 2.36 2.15 10.11 13.88 71.33 0.00 0.12 0.05 95 I C T 50.71 18.35 16.10 33.22 110.57 83.13 -81.61 123.95 58.54 0.92 40.53 2.94 5.33 48.87 15.47 26.05 0.09 0.49 0.78 96 G C T 41.68 5.95 21.82 28.33 97.61 12.76 85.57 -1.45 93.90 0.70 5.40 10.10 7.24 76.82 1.97 3.14 0.00 0.47 0.25 97 H C C 55.68 15.60 15.91 31.56 117.09 131.58 -83.11 144.48 93.56 6.06 0.38 81.30 11.08 1.13 0.09 0.29 0.00 5.44 0.68 98 R E E 118.03 7.71 23.08 31.26 117.65 -127.09 -95.37 134.01 38.52 61.34 0.14 35.93 2.04 0.25 0.04 0.10 0.00 59.82 1.83 99 I E E 16.54 24.28 14.52 38.80 123.67 -162.93 -114.10 136.32 9.41 90.57 0.01 9.09 0.26 0.01 0.00 0.00 0.00 90.40 0.23 100 R E E 97.17 7.92 25.13 33.53 120.73 -158.93 -110.83 134.81 2.38 97.61 0.00 2.26 0.06 0.00 0.00 0.00 0.00 97.64 0.04 101 V E E 26.77 21.73 15.55 37.06 121.94 -159.44 -113.33 130.12 2.76 97.23 0.00 2.71 0.05 0.00 0.00 0.00 0.00 97.17 0.06 102 M E E 72.20 7.90 21.93 30.64 123.72 -170.65 -119.69 137.07 8.01 91.98 0.01 7.51 0.23 0.02 0.00 0.01 0.00 92.04 0.20 103 L E E 70.34 13.01 15.25 28.64 115.08 -136.60 -88.17 132.21 25.46 74.46 0.08 22.15 2.58 0.24 0.02 0.06 0.00 74.36 0.58 104 Y C C 97.35 9.28 13.40 24.05 118.83 -154.60 -107.38 129.01 73.59 25.96 0.45 65.73 6.43 0.69 0.08 0.40 0.00 25.90 0.76 105 P C C 83.56 5.29 12.88 19.67 106.69 -121.79 -68.66 134.92 75.33 11.45 13.23 44.23 14.26 15.65 0.90 14.01 0.00 10.17 0.79 106 S C C 75.03 4.78 9.65 16.10 107.37 -121.95 -86.22 89.49 80.24 5.36 14.40 37.09 19.75 22.39 0.95 15.14 0.00 3.70 0.97 107 R C C 167.94 2.53 9.62 13.79 107.70 -150.16 -89.64 85.68 82.77 5.92 11.32 67.04 4.90 10.10 1.32 10.89 0.00 4.37 1.39 108 I C C 108.35 5.60 10.02 17.26 110.73 115.35 -91.92 110.13 99.86 0.13 0.01 99.83 0.07 0.03 0.00 0.00 0.00 0.06 0.01