# 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 E C C 124.05 4.72 18.82 24.57 116.38 -150.93 -91.24 131.22 99.64 0.35 0.01 99.68 0.05 0.02 0.00 0.00 0.00 0.23 0.02 1 L C C 58.18 16.45 11.06 26.78 116.62 -142.88 -93.85 129.87 78.26 21.27 0.47 78.05 0.55 0.47 0.16 0.16 0.00 18.27 2.33 2 T C C 76.47 6.13 16.24 23.85 123.63 -171.19 -119.28 141.05 65.70 33.58 0.72 56.26 6.12 1.71 0.27 0.53 0.00 28.77 6.33 3 Q C C 77.71 12.96 12.18 25.38 124.59 -158.12 -113.92 141.88 74.15 25.46 0.40 54.45 18.01 1.73 0.12 0.36 0.00 22.03 3.31 4 D C C 87.76 5.34 17.25 23.63 115.18 -113.22 -79.12 135.02 92.55 7.30 0.16 70.57 20.15 1.62 0.02 0.16 0.00 6.87 0.60 5 P C S 71.77 10.87 14.30 25.54 102.63 -112.40 -70.88 18.74 94.21 5.45 0.35 36.60 50.22 7.06 0.03 0.38 0.00 5.38 0.32 6 A E E 55.89 9.77 17.13 27.31 122.44 64.62 -111.53 140.05 39.44 60.12 0.45 26.18 10.79 2.57 0.05 0.43 0.00 59.35 0.62 7 V E E 34.33 17.16 15.40 32.45 126.03 -165.46 -124.18 137.14 7.70 92.25 0.05 6.67 0.79 0.06 0.01 0.03 0.00 92.22 0.22 8 S E E 60.96 8.48 21.82 31.14 123.16 -157.40 -114.36 136.58 2.48 97.51 0.01 2.28 0.13 0.01 0.00 0.00 0.00 97.49 0.08 9 V E E 19.31 19.57 14.77 34.26 133.27 175.91 -138.71 151.34 4.71 95.28 0.01 4.61 0.13 0.01 0.00 0.00 0.00 94.84 0.41 10 A E E 50.00 5.74 22.87 28.64 119.03 -117.66 -80.58 152.63 49.92 49.98 0.10 48.20 1.27 0.19 0.03 0.06 0.00 48.31 1.95 11 L C T 75.36 13.54 14.17 27.86 109.88 -87.45 -59.65 135.14 98.68 1.01 0.31 0.33 2.56 96.20 0.01 0.20 0.00 0.60 0.10 12 G C T 46.53 3.94 19.43 24.27 95.52 22.77 88.18 -5.85 99.56 0.28 0.16 0.42 2.80 96.45 0.00 0.12 0.00 0.18 0.02 13 Q C C 75.61 8.33 17.38 26.88 124.22 118.11 -88.43 154.55 96.15 3.80 0.05 74.15 21.84 0.26 0.01 0.05 0.00 3.41 0.29 14 T C C 73.32 8.89 18.89 28.73 122.14 -130.11 -106.05 139.14 64.23 35.76 0.00 64.91 0.34 0.01 0.00 0.00 0.00 34.29 0.45 15 V E E 13.74 21.62 15.09 36.79 127.52 -168.59 -125.13 140.31 0.45 99.55 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.50 0.04 16 R E E 117.62 7.16 24.36 32.24 118.27 -149.19 -107.92 129.27 0.19 99.81 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 17 I E E 5.95 25.41 16.04 42.10 121.68 -168.43 -115.82 132.18 1.48 98.52 0.00 1.39 0.03 0.00 0.00 0.00 0.00 98.57 0.01 18 T E E 47.45 8.54 26.58 35.86 123.02 -159.83 -111.22 138.84 8.07 91.93 0.00 7.39 0.21 0.01 0.00 0.00 0.00 92.33 0.06 19 C E E 6.92 25.18 15.39 40.81 125.75 -172.03 -124.75 140.78 11.97 88.02 0.01 11.37 0.34 0.02 0.00 0.01 0.00 87.84 0.43 20 Q E E 86.07 6.98 24.91 32.55 128.72 -171.59 -126.77 145.12 18.67 81.26 0.06 17.41 1.08 0.11 0.03 0.04 0.00 78.80 2.53 21 G C C 22.38 14.10 17.34 31.27 138.93 106.61 140.79 -172.00 65.79 33.81 0.40 51.63 11.90 1.62 0.08 0.41 0.00 32.27 2.09 22 D C C 85.91 6.16 20.05 26.64 118.63 -84.79 -102.09 147.02 84.53 14.49 0.98 55.73 23.43 5.38 0.14 1.07 0.00 12.45 1.80 23 S C C 60.79 9.26 16.67 26.36 113.21 -116.39 -86.97 125.52 91.57 5.99 2.44 58.70 22.56 10.16 0.39 2.50 0.00 4.01 1.68 24 L C C 56.36 14.52 12.96 27.47 112.69 -160.41 -94.26 126.09 90.40 5.15 4.45 65.10 15.07 9.38 0.78 4.31 0.00 2.86 2.50 25 R C T 159.72 3.41 18.06 22.40 98.75 -137.37 -72.78 -20.97 93.55 2.96 3.50 17.14 28.58 47.86 0.39 3.25 0.00 1.87 0.89 26 S C T 60.37 7.13 18.31 25.98 103.34 33.17 -100.13 38.50 90.27 7.12 2.61 20.99 23.51 45.84 0.23 2.64 0.00 6.06 0.74 27 Y C C 48.99 18.02 15.90 33.36 125.89 108.16 -117.12 146.87 65.54 33.74 0.72 43.70 20.54 2.35 0.13 0.70 0.00 30.56 2.02 28 Y E E 67.03 12.10 25.03 37.40 127.23 -151.87 -122.44 143.06 24.82 75.01 0.17 21.41 2.75 0.40 0.04 0.12 0.00 74.14 1.14 29 A E E 2.36 26.26 19.13 46.00 127.36 -158.51 -122.23 141.14 8.77 91.19 0.03 7.78 0.71 0.07 0.01 0.02 0.00 91.19 0.22 30 S E E 15.87 15.86 27.82 43.76 133.14 -174.83 -133.78 151.97 2.06 97.93 0.01 1.91 0.10 0.01 0.00 0.00 0.00 97.93 0.04 31 W E E 9.77 24.42 21.99 46.37 124.44 -147.17 -113.45 141.64 0.96 99.04 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.05 0.02 32 Y E E 27.97 16.40 24.33 40.74 133.94 -175.18 -134.68 151.69 0.52 99.48 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.02 33 Q E E 36.90 15.84 20.95 36.86 122.71 -151.63 -114.40 138.08 2.03 97.96 0.00 1.73 0.12 0.01 0.00 0.00 0.00 98.08 0.07 34 Q E E 56.38 13.25 16.14 30.07 118.71 -146.22 -102.18 133.49 27.72 72.26 0.02 25.23 1.45 0.06 0.00 0.01 0.00 72.08 1.16 35 K C C 94.76 6.82 14.85 23.07 120.24 -139.87 -91.42 149.34 97.75 2.21 0.03 95.83 1.95 0.21 0.01 0.02 0.00 1.62 0.37 36 P C T 107.84 3.11 11.64 16.72 109.34 -84.43 -59.10 133.96 99.54 0.09 0.36 0.30 2.97 96.29 0.01 0.35 0.00 0.06 0.02 37 G C T 69.09 0.28 12.95 10.55 95.08 18.22 83.53 -2.64 99.54 0.07 0.39 0.41 2.89 96.21 0.01 0.42 0.00 0.05 0.01 38 Q C S 86.17 6.18 9.79 17.97 128.65 98.21 -111.68 159.73 93.88 5.63 0.50 41.25 50.65 1.78 0.08 0.46 0.00 1.95 3.82 39 A C C 73.70 2.56 17.69 20.25 116.53 -99.00 -70.33 150.47 97.29 2.69 0.02 88.20 9.18 0.13 0.00 0.02 0.00 2.17 0.30 40 P C C 47.76 17.39 12.06 28.84 115.18 -100.65 -65.67 144.34 91.68 8.31 0.01 89.30 2.19 0.05 0.00 0.01 0.00 8.25 0.21 41 V E E 53.55 10.31 20.20 31.48 122.35 -156.03 -119.09 133.43 2.56 97.43 0.00 2.32 0.15 0.01 0.00 0.00 0.00 97.23 0.29 42 L E E 60.20 15.33 18.75 33.87 110.76 -120.45 -76.43 124.49 0.36 99.64 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 43 V E E 21.71 17.86 20.82 38.70 102.03 175.78 -98.82 -32.32 1.28 98.71 0.00 1.00 0.17 0.01 0.00 0.00 0.00 98.81 0.01 44 I E E 20.73 18.73 21.26 39.81 133.93 5.41 -145.17 141.74 0.67 99.33 0.01 0.56 0.04 0.01 0.00 0.00 0.00 99.35 0.04 45 Y E E 67.60 16.76 19.78 35.71 130.43 -174.21 -135.48 140.45 9.18 90.74 0.07 7.90 0.78 0.12 0.02 0.03 0.00 90.78 0.36 46 G C C 19.81 13.78 18.69 32.28 129.34 141.73 -136.33 168.23 63.40 35.53 1.06 38.20 18.64 6.80 0.15 0.99 0.00 34.27 0.96 47 K C S 122.76 6.69 17.99 25.34 107.67 -85.05 -89.23 20.09 83.64 14.18 2.17 30.71 33.07 20.86 0.26 2.05 0.00 11.27 1.78 48 N C S 88.77 7.93 16.20 24.75 107.57 41.82 -102.37 37.73 91.86 5.82 2.33 29.44 37.46 25.26 0.26 2.36 0.00 3.78 1.45 49 N C S 101.04 6.33 17.07 24.34 107.96 40.95 -95.88 64.89 92.80 5.60 1.60 36.54 43.67 12.69 0.23 1.63 0.00 3.35 1.90 50 R C C 102.11 11.71 14.15 26.25 119.21 153.25 -98.98 137.52 92.60 7.01 0.39 55.20 36.21 1.66 0.10 0.33 0.00 3.83 2.68 51 P C C 53.37 11.80 13.25 25.87 114.26 -106.20 -67.01 150.41 93.66 4.49 1.85 80.73 6.10 6.36 0.32 1.85 0.00 2.73 1.91 52 S C T 86.11 3.11 15.42 20.02 110.20 -99.95 -69.24 138.72 94.31 3.42 2.27 17.08 17.42 59.57 0.27 2.34 0.00 2.06 1.28 53 G C T 56.45 2.57 17.30 20.32 99.28 24.11 84.03 -1.97 94.27 3.81 1.91 18.07 19.97 56.19 0.18 2.08 0.00 2.57 0.94 54 I C C 33.23 20.03 9.38 28.13 115.92 118.04 -89.28 131.04 91.99 7.56 0.45 61.74 29.55 1.02 0.14 0.31 0.00 3.40 3.85 55 P C C 56.81 7.84 16.12 25.43 113.85 -110.68 -66.89 151.27 91.96 4.01 4.04 79.20 5.70 6.43 0.57 4.01 0.00 2.67 1.43 56 D C T 118.30 2.65 17.45 21.20 94.40 -106.20 -65.11 -21.42 86.28 2.50 11.22 12.38 25.88 47.37 0.71 11.32 0.00 1.63 0.70 57 R C T 103.70 10.73 17.41 28.30 95.98 59.75 -84.29 -5.13 81.86 6.78 11.36 12.20 26.02 43.65 0.69 11.04 0.01 5.61 0.79 58 F E E 25.22 22.54 13.49 35.15 120.42 79.96 -111.73 132.38 22.85 72.45 4.70 17.02 5.47 2.44 1.09 3.12 0.01 68.63 2.21 59 S E E 49.29 8.13 23.62 32.55 135.12 172.35 -137.47 156.68 10.51 89.31 0.18 9.03 1.45 0.23 0.08 0.10 0.00 88.17 0.94 60 G E E 21.02 19.62 15.44 33.75 140.66 173.91 -154.34 163.87 8.93 91.01 0.05 7.62 1.02 0.13 0.01 0.03 0.00 90.93 0.26 61 S E E 56.96 5.85 23.45 30.78 136.32 -163.86 -146.38 154.29 8.25 91.71 0.05 7.04 0.89 0.11 0.01 0.03 0.00 91.67 0.25 62 S E E 44.61 17.96 13.12 30.08 134.30 -167.74 -143.57 149.03 16.04 83.84 0.12 12.90 2.69 0.42 0.02 0.10 0.00 83.08 0.78 63 S E E 72.20 3.41 20.71 24.56 115.86 -173.06 -128.52 102.28 35.84 63.76 0.40 26.42 8.24 2.47 0.08 0.40 0.00 60.40 1.98 64 G C T 43.85 5.12 19.34 25.16 108.81 -59.03 62.69 -124.84 98.79 0.76 0.45 1.36 35.63 61.94 0.01 0.43 0.00 0.54 0.09 65 N C T 62.23 14.64 15.93 30.68 97.01 -9.59 -101.36 6.27 98.98 0.66 0.35 1.30 35.80 61.99 0.01 0.33 0.00 0.51 0.06 66 T E E 46.72 10.08 22.37 33.90 124.38 84.36 -114.76 136.66 16.45 83.52 0.03 12.64 3.73 0.25 0.01 0.03 0.00 81.89 1.44 67 A E E 3.42 24.93 17.02 42.56 128.33 -172.22 -128.18 140.41 3.94 96.06 0.00 3.65 0.12 0.00 0.00 0.00 0.00 96.09 0.14 68 S E E 28.43 10.56 27.73 39.41 125.52 -163.48 -121.86 138.47 2.42 97.58 0.00 2.00 0.13 0.00 0.00 0.00 0.00 97.84 0.02 69 L E E 2.76 26.59 18.47 46.04 123.17 -169.65 -121.76 132.87 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.66 0.00 70 T E E 42.66 9.24 27.75 38.07 119.37 -161.08 -113.62 128.31 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 71 I E E 5.54 25.20 16.41 42.47 117.29 -163.88 -112.68 123.51 1.15 98.85 0.00 1.19 0.01 0.00 0.00 0.00 0.00 98.64 0.15 72 T C C 63.35 6.62 23.86 30.84 124.78 -171.68 -118.97 145.99 80.09 19.88 0.03 49.98 26.40 1.45 0.00 0.04 0.00 21.83 0.30 73 G C S 43.26 3.86 24.26 28.62 93.73 15.21 65.66 37.19 98.84 1.15 0.01 3.77 92.83 2.36 0.00 0.01 0.00 0.97 0.06 74 P C C 14.76 23.86 10.21 33.56 116.14 -156.67 -69.25 142.74 99.53 0.46 0.01 98.53 1.11 0.03 0.00 0.00 0.00 0.21 0.12 75 Q C C 82.76 4.81 24.54 29.24 130.13 -166.16 -124.03 158.57 97.60 2.33 0.07 97.46 0.39 0.01 0.02 0.01 0.00 0.33 1.77 76 A H G 52.28 13.37 15.53 28.98 91.18 -105.05 -59.31 -33.56 2.49 0.01 97.49 0.15 0.16 1.55 0.40 97.73 0.00 0.01 0.00 77 E H G 130.29 3.03 21.87 25.39 90.04 62.49 -71.18 -16.07 1.98 0.02 97.99 0.08 0.12 1.34 0.31 98.14 0.00 0.02 0.00 78 D H G 16.34 20.29 15.72 36.34 93.35 65.16 -84.77 -2.72 2.99 0.03 96.98 0.39 0.29 1.33 0.43 97.53 0.00 0.03 0.00 79 E C C 64.17 15.13 19.87 34.94 114.66 115.15 -71.62 135.88 96.82 3.09 0.09 94.81 2.09 0.08 0.01 0.06 0.00 2.82 0.13 80 A E E 19.02 14.61 22.57 37.41 145.90 134.40 -165.95 174.71 6.66 93.33 0.01 6.28 0.36 0.02 0.00 0.01 0.00 92.57 0.75 81 D E E 49.52 11.52 25.07 36.95 118.26 -96.37 -96.76 134.76 0.75 99.25 0.00 0.73 0.03 0.00 0.00 0.00 0.00 99.22 0.02 82 Y E E 7.85 25.27 18.53 44.08 125.42 -167.37 -119.53 139.62 0.71 99.29 0.00 0.61 0.04 0.00 0.00 0.00 0.00 99.32 0.02 83 Y E E 42.07 14.18 27.12 41.59 127.51 -166.14 -123.56 143.89 1.84 98.15 0.00 1.57 0.12 0.01 0.00 0.00 0.00 98.22 0.08 84 C E E 3.46 25.36 20.23 45.94 125.42 -163.03 -118.44 140.42 5.00 94.98 0.02 4.33 0.34 0.04 0.00 0.01 0.00 95.17 0.11 85 T E E 27.13 13.46 26.40 40.20 131.88 -172.39 -130.30 148.11 2.87 97.12 0.01 2.46 0.20 0.03 0.00 0.01 0.00 97.23 0.07 86 S E E 10.33 20.71 18.59 39.18 132.99 -174.76 -134.89 153.43 2.59 97.40 0.01 2.22 0.20 0.02 0.00 0.00 0.00 97.48 0.07 87 R E E 95.98 9.03 20.55 30.41 125.64 -150.99 -120.89 139.99 4.90 95.08 0.02 4.38 0.37 0.03 0.01 0.01 0.00 93.53 1.67 88 D C C 35.19 12.31 11.97 25.36 123.46 -138.84 -86.65 170.74 86.06 13.88 0.06 84.77 1.10 0.17 0.01 0.04 0.00 13.09 0.82 89 S C T 91.40 2.53 13.10 16.86 91.05 -96.01 -65.44 -20.12 99.02 0.27 0.71 1.45 10.80 86.71 0.03 0.76 0.00 0.20 0.05 90 S C T 84.31 1.43 12.70 14.22 94.58 57.62 -87.30 -3.83 98.87 0.27 0.86 1.05 11.64 86.14 0.03 0.92 0.00 0.17 0.06 91 G C S 46.29 4.74 11.67 18.03 97.97 -104.09 84.21 4.41 98.50 0.85 0.66 13.24 81.28 4.14 0.06 0.54 0.00 0.42 0.31 92 N C C 100.22 3.76 14.51 19.42 101.19 116.29 -86.61 -3.87 98.16 1.65 0.20 63.47 30.68 4.04 0.02 0.24 0.00 1.23 0.31 93 H C C 85.87 10.02 15.40 26.24 122.99 44.42 -112.37 138.08 53.74 46.18 0.08 46.55 5.96 0.36 0.02 0.08 0.00 45.28 1.74 94 V E E 47.48 14.77 17.33 32.25 121.67 -155.36 -108.90 135.14 7.32 92.67 0.01 6.96 0.31 0.02 0.00 0.00 0.00 91.92 0.79 95 I E E 50.52 14.70 20.40 35.14 119.55 -158.24 -112.14 128.02 2.54 97.46 0.01 2.36 0.12 0.01 0.00 0.00 0.00 96.66 0.84 96 F E E 54.72 17.68 19.00 35.94 118.26 -152.55 -98.87 134.34 18.69 81.24 0.08 15.83 2.19 0.33 0.02 0.06 0.00 80.69 0.89 97 G C C 22.20 15.81 19.54 34.27 116.58 -153.69 -89.72 -103.50 64.91 34.91 0.18 41.20 19.96 2.92 0.02 0.20 0.00 34.99 0.70 98 G C C 38.43 8.71 22.76 31.21 102.29 -43.98 -80.60 -2.46 75.87 23.99 0.14 52.72 19.87 2.23 0.02 0.17 0.00 24.36 0.63 99 G C C 17.03 15.94 18.81 34.11 125.71 -125.19 93.20 174.12 63.68 36.26 0.06 55.96 5.27 0.39 0.01 0.06 0.00 37.78 0.54 100 T E E 23.27 19.47 18.79 37.79 125.87 -95.51 -116.86 141.36 6.73 93.26 0.01 6.15 0.37 0.02 0.00 0.00 0.00 93.01 0.44 101 K E E 99.41 8.64 25.05 34.14 118.25 -142.11 -101.73 129.54 1.41 98.59 0.00 1.26 0.06 0.00 0.00 0.00 0.00 98.62 0.04 102 L E E 9.72 24.69 15.68 40.61 122.83 -166.12 -115.47 134.19 1.51 98.49 0.00 1.49 0.04 0.00 0.00 0.00 0.00 98.45 0.02 103 T E E 52.80 7.28 25.51 33.28 122.65 -163.30 -117.61 134.92 1.27 98.73 0.00 1.23 0.04 0.00 0.00 0.00 0.00 98.67 0.05 104 V E E 27.92 20.00 13.26 32.99 114.43 -136.07 -92.47 125.00 5.57 94.37 0.05 5.21 0.32 0.05 0.02 0.02 0.00 93.87 0.50 105 L E E 84.05 7.00 16.32 24.40 111.95 -160.44 -94.66 129.47 45.34 54.29 0.37 33.29 8.43 3.14 0.07 0.34 0.00 53.50 1.24 106 G C C 50.37 3.45 14.08 18.78 115.45 -9.38 95.51 -10.52 79.97 19.76 0.27 63.41 10.11 5.01 0.04 0.28 0.00 20.23 0.92 107 Q C C 128.65 3.94 13.89 19.50 113.01 -69.02 -92.87 128.51 99.76 0.23 0.01 99.71 0.10 0.03 0.00 0.00 0.00 0.15 0.01