# 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 R C C 152.19 4.42 13.85 20.06 117.12 -159.35 -95.65 130.69 99.92 0.07 0.00 99.91 0.04 0.01 0.00 0.00 0.00 0.03 0.01 1 V C C 85.41 7.60 11.32 20.35 116.31 -147.39 -93.48 133.58 91.21 8.10 0.70 90.10 0.47 1.91 0.16 0.32 0.00 5.86 1.18 2 K C C 124.55 5.42 13.74 21.07 120.18 -156.83 -105.89 138.57 84.52 14.39 1.09 72.45 8.31 3.31 0.27 0.93 0.00 11.10 3.62 3 M C C 56.15 15.83 12.65 28.25 120.15 -153.57 -108.08 133.05 84.61 14.71 0.68 72.17 10.44 1.86 0.15 0.64 0.00 12.48 2.27 4 H C C 99.86 7.27 22.96 30.38 107.38 -158.26 -96.76 92.86 83.87 15.59 0.54 69.69 12.10 1.71 0.15 0.47 0.00 12.33 3.55 5 V C C 7.94 25.05 11.99 36.86 121.82 123.20 -110.94 136.30 83.69 16.15 0.16 80.33 3.88 0.16 0.09 0.07 0.00 6.48 8.99 6 K C C 100.83 4.68 24.15 28.92 129.77 -160.83 -113.57 158.34 98.60 1.36 0.04 98.34 0.59 0.05 0.01 0.01 0.00 0.52 0.47 7 K C T 118.94 9.17 15.57 25.79 109.97 -84.82 -59.70 135.38 99.65 0.24 0.12 0.15 1.01 98.63 0.00 0.06 0.00 0.11 0.03 8 G C T 44.49 3.83 20.00 24.59 95.61 24.94 88.62 -6.18 99.92 0.05 0.03 0.17 1.00 98.78 0.00 0.02 0.00 0.03 0.00 9 D C C 28.73 15.01 15.17 31.29 118.65 132.93 -71.17 146.14 97.89 2.10 0.00 97.07 0.92 0.02 0.00 0.00 0.00 1.93 0.06 10 T E E 55.45 8.71 24.66 33.98 115.61 -124.36 -89.52 131.97 2.43 97.56 0.00 2.54 0.06 0.00 0.00 0.00 0.00 96.79 0.60 11 V E E 2.86 25.87 17.07 43.71 130.77 -173.61 -129.17 149.32 0.75 99.24 0.00 0.68 0.03 0.00 0.00 0.00 0.00 99.25 0.03 12 L E E 42.90 10.64 26.63 38.34 118.75 -138.68 -108.51 131.20 1.05 98.93 0.02 0.96 0.05 0.02 0.01 0.01 0.00 98.91 0.04 13 V E E 7.89 22.72 16.71 40.28 109.35 -125.16 -78.01 122.17 13.00 86.95 0.06 13.05 0.30 0.03 0.02 0.03 0.00 86.02 0.55 14 A C C 35.22 10.57 21.76 33.29 99.26 176.43 -98.02 -25.66 93.64 6.17 0.19 67.70 23.33 2.30 0.03 0.21 0.00 6.00 0.42 15 S C S 47.27 5.41 22.71 28.77 141.94 10.20 -155.03 160.87 97.47 2.11 0.42 8.53 83.93 5.38 0.06 0.28 0.00 1.07 0.75 16 G C S 35.41 5.10 18.64 24.96 128.43 37.02 97.39 -163.62 93.57 1.38 5.05 5.02 80.82 8.38 0.51 3.67 0.00 0.47 1.13 17 K C T 153.14 2.49 18.64 21.66 93.65 -50.30 -69.67 -23.78 88.71 0.70 10.59 1.19 19.90 67.52 0.29 10.31 0.00 0.34 0.43 18 Y C T 53.71 15.97 12.59 28.84 97.51 50.59 -101.23 10.63 91.00 0.62 8.38 3.43 10.63 75.78 0.35 9.13 0.00 0.36 0.31 19 K C T 104.42 10.22 13.81 25.47 111.16 128.87 -61.00 132.87 98.34 0.51 1.15 0.84 1.71 96.02 0.09 0.82 0.00 0.21 0.31 20 G C T 51.99 3.09 19.44 22.95 93.90 21.13 85.86 -2.57 99.24 0.27 0.49 0.74 2.09 96.46 0.03 0.46 0.00 0.20 0.03 21 R C C 88.90 10.93 17.35 29.13 119.62 125.06 -78.61 146.68 97.73 2.18 0.09 93.06 4.21 0.50 0.01 0.10 0.00 1.95 0.18 22 V E E 77.44 10.29 20.86 31.82 125.90 -150.12 -118.20 141.80 7.82 92.16 0.02 7.67 0.40 0.03 0.01 0.01 0.00 89.59 2.29 23 G E E 9.10 14.61 21.02 36.32 144.49 142.87 -166.75 -174.77 1.46 98.54 0.00 1.18 0.15 0.01 0.00 0.00 0.00 98.63 0.03 24 K E E 85.93 7.65 25.89 34.37 119.49 -78.11 -97.32 140.23 0.67 99.33 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 25 V E E 5.86 24.82 14.12 39.97 109.47 -114.49 -74.96 125.08 1.23 98.77 0.00 1.19 0.02 0.00 0.00 0.00 0.00 98.76 0.02 26 K E E 84.92 7.47 23.02 31.20 100.72 175.53 -96.80 -32.74 3.89 96.10 0.01 2.49 1.03 0.02 0.00 0.00 0.00 96.44 0.02 27 E E E 84.68 5.50 25.46 31.87 139.72 0.00 -154.68 149.70 0.68 99.32 0.00 0.46 0.08 0.00 0.00 0.00 0.00 99.45 0.00 28 V E E 27.61 21.97 13.60 34.87 122.45 -159.94 -126.46 127.62 0.63 99.37 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.42 0.02 29 L E E 48.32 7.13 19.20 28.33 109.89 -164.19 -112.87 105.13 6.33 93.65 0.02 5.91 0.28 0.02 0.01 0.01 0.00 93.48 0.29 30 P H G 66.50 11.02 12.91 25.18 93.65 -174.83 -64.62 -32.52 46.45 0.56 52.99 1.22 1.99 39.87 0.44 56.01 0.00 0.42 0.06 31 K H G 167.81 0.69 16.08 15.14 92.63 54.24 -68.50 -35.50 48.82 0.17 51.01 0.47 1.47 44.40 0.37 53.16 0.00 0.10 0.04 32 K H G 119.87 3.24 16.11 19.78 96.94 33.98 -97.29 -5.71 48.85 0.08 51.07 0.47 1.64 43.41 0.35 54.07 0.00 0.04 0.02 33 Y C T 92.52 12.28 15.09 28.37 94.03 -126.89 57.86 43.66 99.64 0.07 0.29 2.41 2.05 95.26 0.03 0.19 0.00 0.05 0.01 34 A E E 20.50 12.24 21.58 35.04 134.72 133.71 -132.09 157.64 3.63 96.37 0.00 3.00 0.27 0.02 0.00 0.00 0.00 96.62 0.09 35 V E E 3.65 24.84 18.46 44.25 122.13 -147.10 -115.84 133.02 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 36 I E E 35.63 11.19 26.73 39.15 116.22 -153.52 -106.15 125.27 0.05 99.95 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 37 V E E 5.03 24.74 16.97 42.31 117.48 -168.22 -113.95 124.06 0.26 99.74 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 38 E E E 90.21 7.29 23.36 30.88 119.04 -147.11 -86.40 142.95 14.75 85.12 0.12 5.15 2.97 7.31 0.01 0.12 0.00 84.28 0.16 39 G C S 37.28 5.84 22.43 29.03 95.19 19.24 74.14 12.84 73.36 26.47 0.17 13.72 34.58 22.43 0.01 0.20 0.00 28.78 0.28 40 V C C 23.05 21.62 13.34 34.02 109.92 142.52 -86.70 111.41 67.14 32.57 0.28 54.09 9.50 1.85 0.04 0.29 0.00 33.62 0.61 41 N E E 67.40 10.16 20.25 30.58 105.27 56.65 -91.20 69.68 47.38 52.43 0.18 31.89 12.00 2.64 0.02 0.22 0.00 52.66 0.57 42 I E E 68.94 11.74 16.97 29.29 117.69 -154.60 -101.35 128.74 12.44 87.53 0.02 10.60 1.46 0.09 0.01 0.02 0.00 87.36 0.47 43 V E E 54.28 12.63 14.51 27.87 123.73 -170.95 -118.30 137.24 3.67 96.33 0.01 3.38 0.16 0.01 0.00 0.00 0.00 96.34 0.11 44 K E E 118.58 6.41 15.98 23.88 117.88 -144.01 -102.27 132.94 2.50 97.50 0.01 2.23 0.12 0.01 0.00 0.00 0.00 97.56 0.08 45 K E E 100.58 8.96 12.60 22.85 120.35 -156.69 -110.48 135.96 5.90 94.06 0.04 5.18 0.45 0.05 0.01 0.02 0.00 94.03 0.25 46 A E E 58.31 7.19 11.91 20.73 117.06 -142.63 -97.49 133.97 19.80 80.10 0.10 16.90 2.41 0.21 0.02 0.06 0.00 79.85 0.55 47 V E E 83.55 6.37 11.78 19.88 120.88 -162.46 -111.61 137.36 36.20 63.67 0.13 32.07 3.81 0.33 0.04 0.11 0.00 61.42 2.21 48 R C C 157.30 2.94 12.19 16.76 116.54 -126.47 -96.48 134.97 75.03 24.89 0.09 69.88 3.93 0.30 0.02 0.07 0.00 24.84 0.96 49 V C C 89.60 6.07 8.74 16.54 113.39 -116.73 -73.71 141.05 83.67 16.12 0.22 75.10 7.57 0.73 0.06 0.19 0.00 13.82 2.54 50 S C C 52.97 4.04 9.39 15.44 127.82 -171.32 -121.59 161.91 84.42 15.30 0.28 75.61 8.01 0.66 0.13 0.17 0.00 6.66 8.77 51 P C T 126.90 0.78 9.04 10.18 92.06 -104.10 -63.01 -28.00 97.92 0.65 1.44 3.15 31.88 62.96 0.15 1.26 0.00 0.42 0.18 52 K C T 173.45 0.45 10.25 9.59 96.91 46.12 -82.07 -22.74 98.20 0.50 1.30 3.30 33.82 61.11 0.14 1.16 0.00 0.32 0.15 53 Y C S 122.40 4.33 7.87 14.09 111.94 28.05 -129.07 86.34 82.44 16.55 1.01 22.43 56.26 4.43 0.21 0.84 0.00 9.49 6.35 54 P C C 101.61 2.78 9.96 14.69 97.73 -171.77 -66.97 -20.66 83.49 14.45 2.07 43.67 18.92 21.06 0.26 2.14 0.00 12.00 1.95 55 Q C C 125.62 2.47 12.09 15.67 110.38 66.24 -94.46 103.67 69.72 27.49 2.79 34.49 17.26 19.36 0.40 2.71 0.02 19.97 5.78 56 G C C 31.29 9.09 10.41 20.55 120.71 -152.78 -89.22 171.49 74.49 24.57 0.94 49.68 15.22 9.22 0.13 0.96 0.00 23.04 1.76 57 G E E 34.99 5.26 15.24 21.57 126.03 -145.14 123.99 -174.03 49.07 50.74 0.19 29.58 17.42 2.31 0.02 0.19 0.00 49.73 0.75 58 F E E 114.69 8.91 12.68 22.82 120.68 -67.48 -104.06 136.39 8.23 91.76 0.01 7.18 0.78 0.03 0.00 0.01 0.00 91.67 0.33 59 I E E 74.42 7.50 14.44 23.70 123.31 -167.30 -119.87 136.97 1.20 98.80 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.84 0.04 60 E E E 111.30 8.69 13.71 23.95 119.66 -148.46 -106.04 133.22 0.88 99.12 0.00 0.75 0.03 0.00 0.00 0.00 0.00 99.21 0.01 61 K E E 89.17 7.02 16.72 25.32 131.30 174.10 -137.42 149.94 1.27 98.73 0.00 1.11 0.05 0.00 0.00 0.00 0.00 98.80 0.03 62 E E E 101.12 9.63 16.34 26.76 115.64 -112.90 -78.88 137.75 6.06 93.93 0.00 5.48 0.34 0.02 0.00 0.00 0.00 93.98 0.18 63 A E E 21.63 14.31 16.98 32.22 133.64 -133.67 -136.79 154.48 33.00 66.99 0.00 30.82 1.10 0.02 0.00 0.00 0.00 67.85 0.21 64 P E E 63.49 9.78 22.04 31.88 114.21 -102.61 -68.81 144.48 28.76 71.23 0.01 24.46 3.67 0.10 0.00 0.01 0.00 71.20 0.56 65 L E E 14.01 22.70 15.56 38.09 126.01 -165.26 -120.51 143.29 13.18 86.81 0.02 12.05 0.86 0.03 0.01 0.01 0.00 81.44 5.59 66 H E E 66.91 8.37 24.29 33.34 111.10 -118.02 -77.13 129.27 24.37 75.60 0.03 25.52 0.34 0.02 0.01 0.01 0.00 67.42 6.67 67 A H G 18.60 21.47 15.54 36.83 91.65 -134.78 -61.01 -30.11 5.62 0.14 94.24 0.69 0.57 3.31 0.69 94.61 0.00 0.13 0.00 68 S H G 61.84 8.24 21.70 30.64 90.21 66.64 -71.28 -14.67 4.70 0.08 95.22 0.21 0.34 3.41 0.52 95.46 0.00 0.06 0.00 69 K H G 85.65 10.50 21.54 32.73 96.36 54.15 -99.12 1.94 5.65 0.12 94.24 0.47 0.58 3.51 0.46 94.88 0.00 0.09 0.00 70 V E E 7.86 24.58 15.31 40.13 119.46 94.51 -100.44 134.66 47.70 49.09 3.21 34.19 12.66 0.99 1.20 1.70 0.03 38.27 10.97 71 R C C 80.85 11.95 25.30 36.98 122.94 -165.41 -118.64 132.72 52.77 47.17 0.06 51.91 1.18 0.08 0.02 0.03 0.00 44.86 1.92 72 P C E 20.24 19.83 19.90 39.26 114.48 -123.72 -79.04 135.76 53.52 46.43 0.05 45.17 7.72 0.21 0.01 0.04 0.00 45.80 1.05 73 I E B 51.48 11.73 20.28 32.84 120.75 -150.61 -109.64 132.38 11.09 88.87 0.04 10.66 0.44 0.01 0.05 0.00 0.00 31.38 57.45 74 C C C 16.56 15.68 12.29 29.46 109.22 -125.23 -82.77 120.98 89.49 10.49 0.02 90.57 0.59 0.04 0.01 0.01 0.00 7.33 1.46 75 P C T 91.30 4.21 15.86 21.67 92.51 -150.40 -64.77 -26.36 99.61 0.07 0.32 0.41 3.64 95.54 0.01 0.33 0.00 0.04 0.02 76 A C T 81.67 2.29 15.06 17.99 96.28 49.64 -75.81 -38.42 99.56 0.08 0.36 0.10 2.32 97.15 0.00 0.37 0.00 0.04 0.02 77 C C T 63.52 5.67 12.38 19.69 101.51 22.39 -104.71 -16.13 99.62 0.07 0.30 0.34 3.40 95.82 0.00 0.39 0.00 0.04 0.02 78 G C C 51.13 3.54 13.64 18.93 94.91 -126.33 76.60 8.43 99.10 0.73 0.18 69.89 12.01 17.17 0.03 0.17 0.00 0.43 0.29 79 K C C 110.75 4.00 16.51 21.91 120.66 128.85 -91.63 145.94 87.93 12.02 0.05 68.57 20.21 0.26 0.01 0.04 0.00 9.30 1.61 80 P E B 70.59 8.93 16.91 26.64 114.07 -101.70 -65.44 145.89 9.42 90.51 0.08 8.03 0.61 0.04 0.09 0.02 0.00 35.14 56.07 81 T C C 23.07 19.01 13.42 32.04 126.88 -160.30 -119.27 154.21 72.10 27.84 0.07 68.16 3.01 0.15 0.01 0.06 0.00 27.09 1.51 82 R E E 106.65 7.36 22.21 30.05 119.45 -128.90 -105.16 135.41 38.54 61.42 0.04 35.24 2.79 0.11 0.01 0.04 0.00 60.03 1.78 83 V E E 45.24 17.38 14.05 30.96 117.84 -141.91 -100.05 131.63 17.02 82.97 0.01 16.77 0.38 0.02 0.00 0.01 0.00 82.53 0.29 84 R E E 98.52 6.99 19.01 27.04 131.77 -177.66 -131.24 154.58 3.35 96.64 0.00 2.81 0.24 0.01 0.00 0.00 0.00 96.87 0.06 85 K E E 104.80 10.35 13.71 25.03 121.26 -137.53 -110.49 136.40 0.98 99.02 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.09 0.01 86 K E E 92.75 6.29 14.92 22.94 129.50 -177.87 -129.22 149.93 0.56 99.44 0.00 0.47 0.03 0.00 0.00 0.00 0.00 99.49 0.00 87 F E E 123.84 5.05 12.22 19.22 115.36 -123.99 -92.62 128.71 1.19 98.81 0.00 1.14 0.04 0.00 0.00 0.00 0.00 98.39 0.43 88 L C C 53.84 8.30 8.08 18.15 122.90 -143.41 -86.82 166.96 93.29 6.68 0.02 94.00 0.22 0.05 0.00 0.01 0.00 5.32 0.40 89 E C T 170.33 0.64 9.92 10.54 90.98 -97.08 -63.14 -24.99 98.74 0.38 0.88 0.35 2.48 95.95 0.01 0.90 0.00 0.26 0.05 90 N C T 127.67 0.82 10.05 10.66 93.10 55.58 -86.98 1.93 99.03 0.05 0.92 0.14 1.77 97.10 0.01 0.94 0.00 0.02 0.01 91 G C S 49.80 2.83 10.36 14.86 96.28 -102.42 85.48 5.61 99.04 0.23 0.73 12.26 84.92 1.95 0.04 0.63 0.00 0.10 0.10 92 K C C 109.33 3.26 12.10 17.16 118.04 135.24 -80.80 145.47 97.24 2.75 0.01 96.93 0.74 0.04 0.00 0.00 0.00 1.99 0.30 93 K E E 107.64 7.96 12.35 21.91 117.77 -127.73 -95.21 135.11 0.98 99.02 0.00 0.95 0.03 0.00 0.00 0.00 0.00 98.77 0.25 94 I E E 48.57 10.75 15.26 27.82 126.88 -172.26 -125.91 142.85 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 95 R E E 86.27 12.72 17.23 30.42 117.73 -135.79 -98.77 131.43 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 96 V E E 37.58 12.17 19.72 32.90 130.93 -175.59 -130.58 147.61 0.53 99.46 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.01 97 C E E 20.81 17.26 13.90 31.62 113.01 -114.39 -77.90 134.51 7.93 92.06 0.01 7.67 0.17 0.01 0.00 0.00 0.00 91.92 0.23 98 A C E 50.68 8.74 16.88 26.58 101.01 -136.59 -76.43 -26.54 64.33 34.62 1.05 18.54 31.61 14.10 0.09 1.03 0.00 34.00 0.63 99 K C C 141.73 3.24 18.16 21.95 108.96 10.95 -96.05 97.01 86.55 12.22 1.23 46.88 23.28 16.04 0.11 1.41 0.00 11.00 1.27 100 C C C 49.27 13.91 13.18 26.92 110.41 90.52 -92.21 100.09 99.83 0.15 0.02 99.74 0.10 0.06 0.00 0.00 0.00 0.08 0.02