# 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 K C C 136.88 3.29 15.82 20.30 114.85 -142.40 -92.33 134.50 99.90 0.10 0.00 99.89 0.04 0.01 0.00 0.00 0.00 0.05 0.00 1 I C C 91.68 10.05 10.22 21.05 118.30 -140.59 -96.33 134.51 80.96 18.85 0.19 80.21 0.57 0.38 0.05 0.09 0.00 17.98 0.73 2 R E E 114.30 6.83 14.43 22.75 121.42 -162.57 -110.60 138.53 49.80 49.89 0.31 42.61 5.00 1.01 0.06 0.25 0.00 50.38 0.68 3 T E E 73.06 8.84 15.78 25.80 121.48 -148.69 -109.42 135.79 28.87 70.94 0.20 25.27 2.67 0.40 0.03 0.15 0.00 70.98 0.50 4 L E E 32.33 16.19 15.19 31.93 126.79 -172.51 -124.90 141.94 13.10 86.79 0.11 11.87 0.92 0.15 0.03 0.06 0.00 86.58 0.39 5 Q E E 91.51 7.79 22.26 30.74 123.51 -153.61 -113.06 137.09 7.28 92.66 0.05 6.39 0.58 0.09 0.01 0.03 0.00 92.72 0.18 6 G E E 9.35 18.08 16.76 34.87 142.96 148.67 -160.61 174.14 3.36 96.62 0.02 2.58 0.46 0.05 0.00 0.01 0.00 96.86 0.03 7 R E E 110.55 6.12 24.48 31.42 125.18 -99.57 -120.18 142.03 1.36 98.63 0.01 1.15 0.08 0.01 0.00 0.00 0.00 98.72 0.03 8 V E E 27.40 20.73 13.25 33.86 109.78 -117.02 -76.81 126.05 1.55 98.43 0.01 1.40 0.05 0.01 0.00 0.00 0.00 98.47 0.06 9 V E E 70.90 6.44 20.27 27.62 102.43 176.88 -99.83 -23.83 6.45 93.49 0.06 4.85 1.36 0.14 0.01 0.04 0.00 93.44 0.16 10 S E E 52.82 6.37 18.86 26.25 135.84 0.70 -148.63 149.33 22.10 77.69 0.20 14.12 7.27 0.82 0.04 0.14 0.00 77.27 0.35 11 D C C 71.01 11.87 12.31 24.50 116.18 -166.16 -123.73 114.10 59.00 40.52 0.49 47.37 8.20 1.59 0.09 0.41 0.00 41.75 0.59 12 K C S 136.04 3.67 14.70 19.48 103.01 168.42 -93.30 12.43 74.72 23.57 1.71 28.28 33.13 13.78 0.22 1.58 0.00 21.68 1.32 13 M C C 94.67 5.97 11.71 19.15 119.36 100.47 -100.60 152.98 75.22 22.05 2.73 29.59 29.31 17.54 0.44 2.45 0.02 16.10 4.56 14 E C T 151.88 1.81 14.88 17.04 98.13 -95.14 -67.00 -23.59 97.70 0.76 1.54 6.34 41.05 50.47 0.15 1.30 0.00 0.48 0.21 15 K C T 119.10 6.75 14.94 22.45 100.50 17.82 -99.42 4.20 97.78 1.25 0.97 4.23 42.01 51.75 0.06 0.83 0.00 0.95 0.17 16 S E E 23.74 11.67 16.40 29.60 136.52 56.50 -139.60 155.59 27.41 72.39 0.20 19.89 6.94 1.11 0.04 0.17 0.00 71.00 0.85 17 I E E 15.44 17.96 16.97 35.98 124.79 -148.91 -119.01 139.44 4.97 95.02 0.00 4.43 0.18 0.01 0.00 0.00 0.00 95.32 0.06 18 V E E 30.79 10.93 23.70 36.07 118.76 -151.46 -109.62 128.78 0.44 99.56 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 19 V E E 7.05 22.06 17.80 40.44 120.79 -166.46 -114.11 131.01 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 20 A E E 23.29 10.51 23.52 35.35 119.10 -157.49 -107.23 131.85 0.12 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 21 I E E 15.97 18.76 16.58 35.96 123.79 -170.05 -120.63 135.14 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 22 E E E 82.63 8.30 20.08 29.13 116.48 -141.54 -98.11 129.79 1.41 98.59 0.00 1.21 0.06 0.00 0.00 0.00 0.00 98.72 0.01 23 R E E 67.00 12.49 15.09 28.48 131.00 166.57 -131.90 150.94 2.34 97.65 0.00 2.07 0.08 0.01 0.00 0.00 0.00 97.82 0.02 24 F E E 108.55 6.98 16.57 24.77 116.27 -125.09 -93.92 131.16 1.81 98.19 0.00 1.59 0.06 0.00 0.00 0.00 0.00 98.31 0.03 25 V E E 41.80 11.07 13.55 26.32 127.69 -175.39 -128.46 145.83 1.21 98.78 0.00 1.03 0.05 0.00 0.00 0.00 0.00 98.89 0.02 26 K E E 121.90 3.97 14.70 20.13 114.88 -124.03 -89.45 129.26 2.41 97.58 0.01 2.19 0.13 0.01 0.00 0.00 0.00 97.39 0.28 27 H C C 46.76 11.50 7.79 20.59 109.96 -138.32 -88.16 119.25 57.49 42.46 0.05 56.29 0.64 0.09 0.01 0.02 0.00 42.35 0.59 28 P C T 109.83 1.43 11.77 13.80 92.93 -147.38 -64.90 -27.31 97.93 0.24 1.83 0.51 3.08 94.40 0.07 1.72 0.00 0.17 0.06 29 I C T 133.32 1.25 11.04 12.64 98.20 47.13 -77.37 -39.23 98.24 0.18 1.58 0.25 2.53 95.62 0.04 1.40 0.00 0.10 0.06 30 Y C T 136.81 2.81 10.27 14.37 101.40 24.50 -105.20 -11.10 98.63 0.16 1.22 0.45 2.41 95.90 0.04 1.06 0.00 0.09 0.03 31 G C T 53.31 2.44 11.01 14.99 95.82 -125.83 74.91 9.92 98.92 0.79 0.29 46.10 5.61 47.18 0.06 0.19 0.00 0.75 0.10 32 K C C 109.14 3.18 12.03 16.97 125.24 123.29 -109.20 151.68 56.24 43.74 0.02 52.53 2.14 0.11 0.00 0.01 0.00 44.80 0.40 33 F E E 118.16 7.43 11.25 20.35 117.76 -124.63 -95.28 135.52 0.83 99.17 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.17 0.05 34 I E E 61.14 8.64 13.20 23.89 124.13 -168.09 -121.93 139.01 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 35 K E E 122.34 6.73 14.03 22.71 119.04 -145.97 -102.86 134.52 0.27 99.73 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 36 R E E 90.09 9.04 14.23 24.85 129.83 -177.84 -131.99 147.18 0.53 99.47 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.52 0.00 37 T E E 73.60 8.29 15.50 25.25 121.87 -143.76 -111.31 137.95 1.26 98.73 0.00 1.14 0.02 0.00 0.00 0.00 0.00 98.83 0.01 38 T E E 33.72 13.47 14.87 29.40 128.37 -175.20 -127.19 146.61 1.31 98.69 0.00 1.23 0.03 0.00 0.00 0.00 0.00 98.71 0.02 39 K E E 109.17 7.68 19.99 28.76 118.80 -141.05 -105.68 131.03 2.69 97.31 0.00 2.56 0.11 0.00 0.00 0.00 0.00 97.28 0.04 40 L E E 15.73 20.96 15.90 36.89 123.99 -169.00 -116.60 135.72 5.22 94.78 0.00 5.08 0.14 0.00 0.00 0.00 0.00 94.65 0.11 41 H E E 73.43 9.45 25.06 34.93 117.84 -148.06 -96.09 134.22 8.23 91.77 0.00 8.10 0.25 0.01 0.00 0.00 0.00 91.27 0.37 42 V E E 6.35 24.46 16.76 41.54 127.82 -172.12 -127.15 140.76 23.32 76.65 0.03 22.69 0.66 0.06 0.01 0.02 0.00 75.54 1.01 43 H E E 68.12 9.06 24.39 34.02 117.90 -152.77 -106.18 128.52 31.64 68.27 0.09 28.97 1.86 0.20 0.03 0.07 0.00 62.93 5.94 44 D C C 20.14 19.45 13.14 32.26 110.71 -169.71 -115.49 105.41 86.48 13.28 0.25 83.83 2.33 0.53 0.06 0.17 0.00 11.46 1.64 45 E C T 126.52 4.05 16.96 22.40 94.66 -164.57 -69.97 -27.23 96.52 1.15 2.33 20.75 21.69 53.54 0.17 2.73 0.00 0.78 0.34 46 N C T 111.60 2.00 17.70 19.18 96.36 37.87 -95.28 4.30 96.99 0.55 2.46 4.67 33.97 58.15 0.13 2.57 0.00 0.31 0.22 47 N C S 84.83 11.40 13.60 25.52 93.98 -118.29 63.08 32.07 96.47 1.93 1.60 26.18 61.93 8.13 0.16 1.71 0.00 1.06 0.82 48 E C C 109.86 4.85 22.10 27.30 104.33 127.65 -95.39 30.37 94.12 5.37 0.52 87.35 4.82 1.69 0.15 0.38 0.00 2.37 3.24 49 C C C 9.45 24.25 11.28 34.81 125.66 128.31 -114.81 147.24 93.13 6.66 0.21 90.36 2.68 0.52 0.07 0.14 0.00 3.62 2.62 50 G C C 30.28 4.96 25.37 30.51 137.43 169.87 -138.95 171.74 94.53 5.36 0.11 91.34 3.20 0.48 0.04 0.07 0.00 2.38 2.50 51 I C T 97.07 10.33 17.20 28.05 110.13 -66.45 -61.07 133.98 99.38 0.47 0.15 0.24 2.51 96.85 0.01 0.08 0.00 0.21 0.10 52 G C T 38.68 5.35 20.55 26.93 96.71 25.54 89.06 -6.57 99.87 0.08 0.05 0.46 2.35 97.10 0.00 0.04 0.00 0.06 0.01 53 D C C 27.26 15.30 16.57 32.99 117.57 133.82 -70.78 145.29 96.41 3.59 0.00 95.25 1.35 0.02 0.00 0.00 0.00 3.30 0.08 54 V E E 52.34 9.93 24.52 35.20 117.78 -133.55 -101.73 132.53 0.73 99.27 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.16 0.10 55 V E E 3.92 25.62 16.14 42.43 129.41 -174.05 -125.60 147.88 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 56 E E E 60.49 8.54 26.67 36.25 118.08 -132.65 -100.68 132.82 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 57 I E E 10.46 24.48 15.62 40.30 119.43 -156.63 -108.79 130.24 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 58 R E E 92.18 7.52 23.98 31.98 131.74 -174.38 -131.27 151.79 0.67 99.33 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.01 59 E E E 94.41 10.71 18.36 29.25 114.27 -109.35 -74.97 137.85 2.34 97.65 0.01 2.02 0.15 0.02 0.00 0.00 0.00 97.74 0.07 60 C E E 27.80 15.43 12.47 28.23 130.79 -176.22 -129.18 157.30 35.36 64.58 0.07 32.57 1.67 0.13 0.01 0.04 0.00 65.04 0.53 61 R C C 161.00 2.15 17.94 20.19 115.41 -107.34 -95.66 134.93 59.17 40.62 0.21 42.29 15.81 1.00 0.04 0.20 0.00 39.83 0.83 62 P C C 64.84 11.16 9.58 21.31 112.60 -108.63 -67.54 141.42 71.01 28.29 0.71 59.72 8.88 2.24 0.17 0.59 0.00 26.26 2.15 63 L C S 117.60 2.86 12.25 16.46 97.33 -159.38 -81.84 -29.59 87.32 11.89 0.79 23.64 55.46 8.75 0.13 0.71 0.00 9.40 1.91 64 S C S 55.62 2.83 13.31 17.01 134.95 4.51 -146.42 165.48 87.65 11.42 0.93 17.30 60.24 10.57 0.15 0.81 0.00 7.56 3.37 65 K C S 172.24 1.22 11.58 13.67 92.12 -99.25 -65.09 -22.66 98.78 0.49 0.73 2.44 63.99 32.55 0.05 0.54 0.00 0.27 0.14 66 T C S 98.66 2.37 13.82 16.72 100.36 46.23 -96.59 -10.01 97.40 2.09 0.51 3.69 62.48 31.54 0.03 0.43 0.00 1.56 0.28 67 K C C 74.48 10.75 13.66 25.41 121.22 50.35 -120.06 127.40 55.04 44.72 0.23 44.18 9.42 1.22 0.05 0.23 0.00 40.89 4.01 68 S E E 23.30 12.44 17.58 31.52 130.26 173.43 -125.23 152.62 34.75 65.21 0.04 30.99 2.32 0.17 0.01 0.03 0.00 65.77 0.71 69 W E E 26.00 19.80 17.43 37.47 127.97 -149.04 -122.19 146.37 9.18 90.81 0.01 8.04 0.53 0.03 0.00 0.00 0.00 91.28 0.11 70 T E E 38.87 9.83 24.92 35.66 121.37 -149.97 -115.67 133.39 0.73 99.27 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.28 0.02 71 L E E 19.08 21.39 15.07 36.92 109.41 -118.58 -75.25 124.15 0.34 99.66 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.64 0.01 72 V E E 63.39 7.64 20.94 29.57 100.98 175.46 -96.81 -33.31 1.08 98.91 0.00 0.74 0.19 0.01 0.00 0.00 0.00 99.05 0.00 73 R E E 112.44 3.95 23.87 28.23 137.26 -3.07 -152.01 149.46 0.53 99.47 0.00 0.40 0.05 0.00 0.00 0.00 0.00 99.54 0.00 74 V E E 49.20 18.00 12.96 30.32 111.05 -129.01 -91.06 120.68 0.54 99.46 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 75 V E E 66.02 7.30 17.29 25.98 101.77 177.44 -93.75 -33.29 3.93 96.05 0.02 3.18 0.42 0.04 0.00 0.01 0.00 96.29 0.06 76 E E E 105.87 4.30 18.54 23.91 133.54 -2.40 -145.78 148.31 10.08 89.78 0.15 7.81 1.74 0.47 0.02 0.13 0.00 89.60 0.23 77 K E E 111.41 10.77 11.32 22.79 119.76 -148.13 -107.37 134.59 38.73 60.82 0.46 31.70 4.65 1.50 0.06 0.44 0.00 60.97 0.68 78 A C C 57.12 7.23 10.83 19.61 114.84 -138.46 -84.96 144.24 81.65 17.95 0.40 78.01 1.65 1.48 0.06 0.31 0.00 17.67 0.82 79 V C C 110.05 3.20 13.08 17.74 112.54 -121.80 -88.11 125.65 99.75 0.25 0.00 99.75 0.07 0.01 0.00 0.00 0.00 0.16 0.01