# 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 52.93 14.56 20.06 34.40 116.42 -157.15 -105.88 136.34 98.88 1.11 0.00 98.66 0.29 0.03 0.00 0.00 0.00 0.99 0.02 1 Y E E 55.98 14.32 20.81 35.19 130.65 -171.63 -126.54 147.99 7.47 92.53 0.00 7.28 0.17 0.01 0.00 0.00 0.00 92.38 0.15 2 A E E 6.60 20.73 19.58 40.53 128.93 -166.46 -126.71 145.29 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.00 3 V E E 22.93 14.27 24.40 39.41 118.31 -146.64 -108.50 128.58 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 4 F E E 9.94 22.30 18.45 40.89 126.32 -171.15 -120.23 140.98 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 5 Q E E 62.22 9.41 22.01 32.26 116.51 -148.20 -105.67 125.39 1.38 98.62 0.00 1.10 0.06 0.00 0.00 0.00 0.00 98.82 0.01 6 S E E 21.36 17.46 12.60 29.79 120.79 172.72 -133.32 121.03 11.58 88.28 0.14 7.47 2.73 1.03 0.01 0.17 0.00 88.34 0.24 7 G C T 55.15 3.59 15.57 20.32 95.68 -18.03 58.78 31.68 99.18 0.39 0.43 0.48 7.27 91.41 0.01 0.52 0.00 0.27 0.04 8 G C T 63.48 1.26 14.62 15.77 96.81 -44.78 81.48 0.66 99.47 0.17 0.37 0.64 8.47 90.30 0.01 0.45 0.00 0.11 0.02 9 K E E 120.64 3.44 14.86 20.08 125.46 98.77 -111.40 143.64 9.51 90.48 0.01 7.33 1.69 0.09 0.00 0.01 0.00 90.67 0.21 10 Q E E 98.17 9.99 13.40 24.51 120.13 -135.41 -102.19 134.34 3.04 96.96 0.00 2.70 0.07 0.00 0.00 0.00 0.00 97.21 0.02 11 H E E 50.12 13.70 16.05 30.66 128.47 -173.75 -128.51 141.03 0.38 99.62 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 12 R E E 130.13 6.55 22.47 30.02 116.17 -137.25 -96.13 130.20 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 13 V E E 9.56 23.02 13.04 36.02 126.26 -172.65 -123.19 142.81 1.53 98.47 0.00 1.61 0.02 0.00 0.00 0.00 0.00 98.27 0.09 14 S C C 48.99 5.34 23.46 28.62 127.49 -155.10 -106.78 162.22 64.33 35.66 0.01 64.21 0.53 0.03 0.00 0.01 0.00 34.57 0.64 15 E C T 112.81 9.18 15.00 25.23 109.38 -79.98 -59.28 133.82 99.36 0.48 0.16 0.19 1.81 97.58 0.01 0.10 0.00 0.26 0.05 16 G C T 52.64 2.76 18.58 21.72 95.94 21.50 87.35 -5.37 99.74 0.17 0.09 0.28 2.10 97.43 0.00 0.07 0.00 0.11 0.01 17 Q C C 72.51 9.92 15.68 26.76 119.82 119.53 -84.30 147.74 94.79 5.18 0.03 87.49 7.07 0.15 0.01 0.03 0.00 4.88 0.37 18 T E E 66.12 10.27 18.91 29.82 122.24 -139.46 -111.27 134.77 19.87 80.11 0.02 20.36 0.24 0.02 0.01 0.01 0.00 78.20 1.17 19 V E E 14.62 21.18 15.58 36.77 123.30 -167.29 -118.75 136.01 3.30 96.68 0.02 3.13 0.15 0.02 0.01 0.01 0.00 96.54 0.14 20 R E E 121.11 7.01 23.86 31.60 117.77 -151.12 -106.73 128.17 2.26 97.70 0.04 2.15 0.12 0.02 0.02 0.01 0.00 97.56 0.11 21 L E E 16.01 22.55 13.37 35.68 117.32 -161.68 -106.76 127.76 10.87 88.78 0.36 10.67 0.40 0.12 0.18 0.14 0.00 88.06 0.44 22 E E E 97.18 5.94 21.52 27.67 114.64 -156.04 -87.33 149.79 41.66 57.40 0.94 24.97 12.90 3.35 0.11 0.91 0.00 57.36 0.39 23 K C C 120.85 7.07 19.45 27.30 111.48 -17.46 -76.55 120.27 59.13 40.05 0.81 42.93 12.34 3.17 0.08 0.94 0.00 39.78 0.77 24 L C C 34.05 19.50 11.29 29.89 119.29 -170.05 -108.41 133.59 73.87 25.73 0.40 68.80 4.02 0.72 0.10 0.33 0.00 23.56 2.48 25 D C C 117.43 1.62 22.24 22.84 103.11 -141.83 -89.73 61.97 91.32 8.56 0.12 77.80 12.29 1.19 0.02 0.13 0.00 7.69 0.87 26 I C C 29.72 18.49 10.19 28.13 128.53 135.36 -119.58 148.97 95.88 4.08 0.05 84.85 11.20 0.16 0.01 0.03 0.00 1.99 1.77 27 A C C 67.44 2.31 21.38 22.42 118.60 -112.83 -78.23 153.57 99.49 0.48 0.04 98.64 0.83 0.12 0.01 0.01 0.00 0.21 0.18 28 T C T 82.17 9.08 13.03 23.29 109.70 -87.24 -59.56 134.87 99.61 0.24 0.15 0.40 2.74 96.56 0.01 0.10 0.00 0.13 0.06 29 G C T 50.31 3.07 17.60 21.39 95.81 23.16 87.96 -5.94 99.76 0.16 0.08 0.58 2.41 96.81 0.00 0.06 0.00 0.12 0.01 30 E C C 81.41 7.73 15.97 25.27 120.57 125.03 -78.01 149.51 94.12 5.86 0.02 90.81 3.09 0.08 0.00 0.02 0.00 5.75 0.24 31 T E E 72.74 9.07 18.33 28.39 121.30 -135.03 -105.02 138.71 9.04 90.95 0.01 9.18 0.18 0.01 0.00 0.00 0.00 90.17 0.46 32 V E E 14.17 21.13 14.85 36.01 124.63 -168.72 -121.10 135.79 0.61 99.39 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.02 33 E E E 101.74 6.37 24.35 31.42 116.22 -149.07 -103.37 126.81 0.76 99.24 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.25 0.02 34 F E E 11.63 24.21 13.17 37.40 119.72 -161.99 -111.44 132.68 6.46 93.52 0.02 6.26 0.18 0.02 0.00 0.01 0.00 93.40 0.13 35 A E E 53.85 6.25 23.49 30.25 98.76 -169.11 -84.35 -30.74 22.81 77.06 0.13 12.09 9.85 0.69 0.01 0.11 0.00 77.11 0.13 36 E E E 70.38 9.92 24.17 34.32 128.89 17.15 -132.38 136.93 14.01 85.90 0.09 9.19 3.97 0.33 0.01 0.06 0.00 86.37 0.06 37 V E E 5.72 24.92 19.04 44.22 122.39 -161.98 -116.44 131.60 2.11 97.88 0.01 1.96 0.09 0.01 0.00 0.00 0.00 97.90 0.03 38 L E E 12.54 18.61 25.82 44.24 122.81 -162.86 -113.72 136.08 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.01 39 M E E 14.20 21.73 24.21 45.20 119.49 -155.51 -108.68 129.32 0.21 99.79 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 40 I E E 16.33 18.22 23.35 41.53 119.81 -166.77 -115.68 128.47 0.60 99.39 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.43 0.01 41 A E E 18.75 16.56 17.57 34.56 127.44 -172.15 -125.34 141.29 8.03 91.94 0.03 6.16 1.25 0.15 0.01 0.02 0.00 92.24 0.18 42 N C C 79.22 7.06 18.47 26.54 103.98 -161.53 -112.99 31.49 60.77 38.97 0.26 45.77 11.23 2.00 0.04 0.25 0.00 40.08 0.63 43 G C S 44.47 5.82 16.10 22.79 102.51 -77.88 72.59 -58.63 97.96 0.98 1.06 4.73 54.85 38.56 0.05 0.97 0.00 0.66 0.18 44 E C S 154.34 1.45 15.71 16.82 100.55 9.32 -98.58 -15.87 98.04 0.92 1.05 5.06 58.29 34.87 0.06 0.91 0.00 0.63 0.17 45 E C E 108.81 4.08 17.36 22.62 124.99 50.20 -120.73 140.98 54.52 44.95 0.53 28.99 21.83 4.05 0.06 0.52 0.00 43.54 1.01 46 V E E 44.53 19.01 12.10 30.25 122.71 -160.70 -118.04 131.22 16.69 83.28 0.04 15.63 0.60 0.05 0.01 0.02 0.00 83.50 0.20 47 K E E 90.49 7.83 22.51 31.00 125.76 -171.60 -124.39 138.71 1.32 98.65 0.02 1.20 0.07 0.01 0.01 0.00 0.00 98.54 0.15 48 I E E 61.18 16.29 16.52 32.40 120.86 -155.92 -110.92 134.03 4.23 95.72 0.05 3.69 0.35 0.05 0.02 0.01 0.00 95.55 0.32 49 G C S 23.61 11.30 19.51 30.75 134.33 53.26 123.75 -171.41 74.61 25.33 0.06 34.19 37.82 1.38 0.01 0.06 0.00 26.20 0.34 50 V C S 81.76 6.72 20.24 27.57 117.14 -47.24 -86.32 140.59 91.09 8.75 0.15 42.60 47.52 1.31 0.02 0.13 0.00 7.72 0.70 51 P C C 55.43 14.47 16.23 30.35 108.30 -102.39 -68.38 140.75 87.87 7.58 4.55 52.33 22.64 12.59 0.57 4.88 0.00 5.72 1.27 52 F C C 80.26 13.24 20.13 32.75 101.31 -142.10 -87.05 -14.07 75.02 19.08 5.90 36.67 25.07 14.63 0.95 5.22 0.07 10.68 6.72 53 V C C 18.07 22.28 13.74 35.39 110.78 57.73 -104.38 104.37 67.13 26.77 6.10 41.05 18.08 8.50 1.31 5.18 0.06 16.02 9.80 54 D C T 108.37 3.13 21.87 25.67 110.47 -130.85 -79.38 124.07 81.00 17.35 1.65 17.31 19.69 44.92 0.25 1.42 0.00 14.08 2.32 55 G C T 38.06 6.97 20.36 27.73 102.95 10.51 86.66 -2.34 85.43 13.80 0.78 10.09 29.14 45.96 0.05 0.83 0.00 13.38 0.56 56 G C C 10.87 18.96 15.64 33.93 125.02 141.49 -85.69 165.05 66.40 33.45 0.15 56.54 7.53 0.53 0.02 0.14 0.00 34.69 0.54 57 V E E 51.14 10.06 25.95 36.77 126.57 -140.13 -122.46 140.70 5.25 94.74 0.01 5.04 0.22 0.01 0.00 0.00 0.00 94.45 0.26 58 I E E 4.05 26.38 17.23 44.55 121.98 -160.60 -115.52 131.38 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.01 59 K E E 72.76 8.95 27.83 37.58 120.37 -164.42 -113.76 131.32 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 60 A E E 3.88 26.03 15.92 42.48 128.94 -172.90 -125.94 144.29 0.29 99.71 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.75 0.00 61 E E E 74.09 7.37 27.18 35.39 123.05 -156.75 -120.19 133.06 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 62 V E E 23.46 21.25 15.36 36.69 109.73 -123.55 -78.92 121.35 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 63 V E E 63.31 7.41 21.45 29.88 100.09 174.29 -94.70 -32.15 2.42 97.57 0.01 1.42 0.69 0.06 0.00 0.00 0.00 97.80 0.02 64 A E E 44.01 6.52 23.28 30.60 141.20 -0.31 -155.79 153.48 6.04 93.95 0.01 2.59 2.94 0.23 0.00 0.01 0.00 94.18 0.06 65 H E E 78.82 18.23 15.11 31.98 127.87 -166.08 -130.52 136.65 15.90 84.05 0.05 13.43 1.87 0.15 0.01 0.03 0.00 84.38 0.13 66 G E E 19.58 10.14 20.30 31.13 139.40 157.62 -153.38 172.28 19.09 80.83 0.08 16.97 1.47 0.14 0.03 0.04 0.00 80.81 0.53 67 R E E 138.07 7.08 18.32 26.92 121.59 -105.92 -105.90 142.31 19.13 80.72 0.15 15.96 2.95 0.26 0.08 0.08 0.00 78.66 2.01 68 G E E 18.01 15.15 13.00 27.99 128.61 -148.36 -104.27 173.51 43.29 56.15 0.56 31.53 10.54 1.06 0.18 0.33 0.00 55.61 0.74 69 E E E 118.01 4.12 20.40 24.68 116.15 -81.66 -77.87 149.72 43.02 55.46 1.52 30.01 10.86 1.56 0.64 0.69 0.00 55.68 0.56 70 K E E 101.24 9.46 16.16 26.30 114.91 -103.05 -76.60 138.87 27.52 70.21 2.26 22.74 3.58 0.98 1.55 0.79 0.00 69.70 0.66 71 V E E 34.49 14.70 13.84 29.56 120.75 -156.37 -111.69 133.76 8.16 90.19 1.65 7.42 0.52 0.23 1.34 0.40 0.00 89.60 0.48 72 K E E 93.39 7.47 19.07 27.62 117.05 -147.40 -103.24 128.41 5.52 93.01 1.47 4.79 0.40 0.20 1.16 0.30 0.00 92.91 0.23 73 I E E 37.23 13.90 14.82 30.11 119.13 -162.10 -110.01 129.99 5.93 92.52 1.56 5.05 0.46 0.23 1.14 0.32 0.00 92.64 0.16 74 V E E 43.97 9.54 16.46 28.01 121.14 -163.38 -114.68 133.32 7.23 90.99 1.78 6.17 0.60 0.31 1.29 0.42 0.00 90.93 0.27 75 K E E 80.67 8.40 15.43 25.43 120.00 -159.12 -110.65 131.99 15.18 82.41 2.42 12.59 1.61 0.68 1.69 0.68 0.00 82.35 0.40 76 F E E 79.45 8.33 11.03 21.34 116.44 -150.99 -101.70 133.98 34.68 61.90 3.43 27.79 5.16 1.71 2.18 1.31 0.00 60.91 0.95 77 R C C 132.45 4.12 10.61 16.40 114.06 -157.83 -99.15 135.49 59.42 31.71 8.88 35.72 15.53 8.47 4.19 4.51 0.02 30.10 1.45 78 R C C 170.58 2.07 9.81 12.88 105.57 -88.36 -74.40 104.63 75.77 8.85 15.38 27.64 23.28 25.63 5.81 9.01 0.04 7.38 1.21 79 R C T 177.01 1.48 9.11 11.48 104.98 10.73 -88.47 40.35 79.92 4.11 15.97 29.27 20.98 30.25 5.24 10.32 0.02 3.02 0.91 80 K C T 144.56 2.16 8.98 12.54 109.44 36.27 -89.21 110.08 81.07 6.81 12.11 27.50 21.86 32.49 3.28 8.47 0.02 5.30 1.08 81 H C C 136.02 3.08 9.63 14.22 107.06 -47.36 -86.97 78.83 72.62 21.44 5.94 32.42 16.37 24.25 1.14 4.69 0.01 20.05 1.06 82 Y C E 124.27 5.70 9.59 17.15 120.62 162.41 -108.36 139.82 51.67 45.88 2.45 40.51 7.08 3.64 0.62 1.88 0.00 44.70 1.57 83 R E E 132.70 5.80 11.12 18.77 121.28 -159.99 -113.67 136.95 37.85 61.15 1.00 30.82 4.47 1.83 0.28 0.66 0.00 61.23 0.71 84 K E E 115.40 6.35 12.63 20.82 121.30 -157.42 -112.47 136.63 27.71 71.69 0.60 22.53 3.36 1.08 0.17 0.39 0.00 72.03 0.45 85 Q E E 91.51 9.22 12.62 23.02 122.24 -160.07 -114.82 135.58 16.90 82.65 0.46 13.54 2.33 0.84 0.13 0.29 0.00 82.45 0.43 86 Q E E 102.83 6.51 15.07 23.23 124.31 -167.63 -118.55 140.36 14.40 85.32 0.28 11.07 2.37 0.69 0.06 0.19 0.00 85.30 0.33 87 G E E 26.61 9.72 14.62 25.39 135.00 137.00 -137.57 169.53 12.58 87.25 0.17 9.86 2.01 0.37 0.04 0.11 0.00 87.37 0.24 88 H E E 96.71 8.30 16.88 26.16 124.48 -111.41 -120.07 143.35 10.58 89.31 0.10 9.47 0.80 0.17 0.03 0.06 0.00 88.92 0.55 89 R E E 91.25 13.00 14.72 28.12 123.30 -156.44 -115.40 137.87 17.65 82.27 0.09 16.07 1.05 0.17 0.02 0.06 0.00 82.08 0.56 90 Q E E 77.67 10.13 17.95 28.78 119.18 -142.88 -95.73 137.45 23.41 76.53 0.06 20.59 1.64 0.16 0.01 0.05 0.00 77.25 0.30 91 W E E 87.34 13.56 16.89 30.68 119.00 -146.16 -98.86 137.05 23.58 76.38 0.04 21.31 1.15 0.09 0.00 0.03 0.00 77.19 0.22 92 F E E 55.14 13.67 19.16 33.25 130.83 -172.96 -128.81 149.82 6.69 93.31 0.01 6.09 0.33 0.02 0.00 0.00 0.00 93.38 0.17 93 T E E 20.90 18.36 18.01 36.41 125.64 -155.05 -118.36 141.84 3.23 96.76 0.00 2.91 0.14 0.01 0.00 0.00 0.00 96.87 0.06 94 D E E 47.30 11.03 24.17 35.46 122.25 -153.33 -110.45 134.20 2.57 97.43 0.00 2.17 0.22 0.01 0.00 0.00 0.00 97.58 0.02 95 V E E 11.29 23.66 16.82 40.56 120.92 -158.21 -112.58 129.50 1.43 98.57 0.00 1.29 0.04 0.00 0.00 0.00 0.00 98.66 0.01 96 K E E 87.98 7.41 25.80 33.58 119.06 -158.49 -109.40 129.18 0.54 99.46 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 97 I E E 21.51 22.42 13.66 36.09 111.54 -137.11 -87.14 121.62 0.71 99.29 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.27 0.02 98 T E E 71.76 4.98 21.54 27.07 101.95 174.96 -102.42 -21.44 5.71 94.28 0.02 4.16 0.93 0.14 0.00 0.01 0.00 94.71 0.05 99 G E E 28.54 6.02 22.78 29.55 142.35 -18.84 -172.79 167.23 10.63 89.33 0.04 6.68 3.16 0.43 0.00 0.04 0.00 89.60 0.08 100 I E E 44.16 20.69 11.69 31.15 123.42 -136.03 -123.85 132.62 11.98 87.98 0.04 10.98 0.76 0.10 0.01 0.03 0.00 87.20 0.92 101 S E E 60.47 5.31 18.64 24.83 126.21 -170.82 -121.22 146.94 32.51 67.42 0.07 30.88 0.83 0.22 0.02 0.05 0.00 66.39 1.62 102 A C C 69.77 7.86 14.78 23.49 112.00 -118.30 -83.15 134.49 99.35 0.65 0.00 99.31 0.10 0.01 0.00 0.00 0.00 0.56 0.01