# 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 G C C 37.87 7.93 16.75 25.24 122.49 -143.99 101.60 171.57 99.64 0.35 0.01 99.51 0.18 0.06 0.00 0.00 0.00 0.22 0.03 1 V C C 68.58 11.71 12.37 24.59 119.47 -125.29 -103.83 136.95 71.54 28.02 0.44 68.68 1.56 0.61 0.14 0.23 0.00 24.78 3.99 2 R C C 133.56 5.67 16.40 23.37 117.84 -150.16 -99.26 134.42 53.48 45.89 0.63 43.38 7.85 1.49 0.19 0.54 0.00 42.37 4.18 3 V E E 65.67 10.65 12.31 24.01 122.90 -155.04 -111.76 139.06 33.19 66.24 0.57 26.23 3.59 0.40 0.44 0.23 0.00 37.77 31.34 4 S C C 30.52 9.59 11.00 22.33 122.37 -126.45 -83.18 164.91 91.94 7.76 0.29 88.19 3.10 0.73 0.07 0.20 0.00 5.99 1.71 5 P C T 113.54 2.49 12.57 16.57 90.99 -98.37 -63.11 -22.83 97.78 0.92 1.30 3.80 11.04 82.77 0.10 1.36 0.00 0.76 0.17 6 T C T 97.95 2.11 12.20 15.09 95.07 53.73 -88.64 -2.23 98.10 0.53 1.37 2.32 10.85 84.84 0.09 1.40 0.00 0.38 0.12 7 G C S 45.45 4.66 12.27 18.53 98.89 -104.13 86.20 5.23 95.08 3.61 1.31 24.18 65.59 5.41 0.15 1.25 0.00 2.19 1.22 8 E C C 93.68 5.88 12.72 20.53 116.88 138.41 -81.46 144.03 92.64 6.98 0.38 79.46 11.38 1.57 0.11 0.31 0.00 5.86 1.32 9 K E E 124.05 5.99 16.17 23.64 115.21 -120.73 -84.90 134.11 35.27 64.10 0.63 29.07 3.40 0.50 0.43 0.29 0.00 36.41 29.90 10 V C C 49.50 14.36 13.25 27.85 117.92 -148.56 -101.77 132.58 50.31 49.28 0.41 46.49 2.13 0.36 0.23 0.23 0.00 42.70 7.86 11 T C C 62.41 9.54 17.10 27.22 113.05 -171.73 -105.25 114.59 74.49 24.73 0.77 60.65 11.12 1.87 0.24 0.63 0.00 21.94 3.54 12 H C C 79.36 11.34 15.50 27.24 120.02 -81.07 -114.58 139.85 68.17 29.14 2.68 35.78 24.42 8.38 0.97 1.98 0.04 17.69 10.73 13 T C T 74.25 9.13 15.76 25.36 108.09 -103.06 -86.29 112.67 87.57 9.78 2.65 14.47 21.12 52.45 0.46 2.27 0.01 6.85 2.38 14 G C T 45.78 5.79 16.85 23.56 97.72 -34.44 85.03 1.60 92.19 6.30 1.51 19.09 26.25 47.13 0.15 1.53 0.00 4.99 0.86 15 Q C C 67.15 11.38 13.03 25.42 120.19 129.30 -93.45 142.76 78.73 20.69 0.58 64.35 12.49 1.37 0.17 0.51 0.00 15.24 5.87 16 V C C 93.08 4.99 17.72 24.10 120.26 -148.25 -108.98 135.87 68.45 31.23 0.32 64.98 2.86 0.37 0.14 0.18 0.00 19.64 11.83 17 Y C C 74.13 15.76 9.73 25.01 117.57 -124.58 -83.40 140.78 83.32 16.45 0.24 80.05 3.15 0.34 0.09 0.14 0.00 11.26 4.98 18 D C C 69.58 5.11 15.09 21.48 114.74 -141.69 -98.03 122.09 94.67 5.19 0.14 92.24 2.37 0.24 0.05 0.06 0.00 2.25 2.79 19 D C T 113.53 3.54 11.70 17.46 92.01 -139.17 -64.89 -21.28 98.49 0.30 1.21 1.45 6.45 90.76 0.21 0.82 0.00 0.18 0.12 20 K C T 160.01 1.13 14.22 14.90 94.48 55.91 -88.39 -3.87 98.81 0.19 1.00 1.69 6.60 90.64 0.15 0.73 0.00 0.12 0.07 21 D C C 43.61 10.13 9.59 21.40 108.09 96.69 -90.25 108.70 89.08 9.70 1.22 74.18 13.20 1.00 0.46 0.76 0.00 3.93 6.47 22 Y H G 112.61 8.93 13.01 23.48 94.06 -173.75 -75.56 -17.82 46.76 4.00 49.24 15.72 7.06 23.11 3.77 46.67 0.01 2.63 1.03 23 R H G 122.53 7.11 14.66 22.97 93.17 68.39 -72.53 -18.50 40.48 7.49 52.03 9.37 7.94 24.58 4.71 46.38 0.06 5.34 1.62 24 R H G 116.61 7.83 15.70 24.27 95.73 63.36 -80.25 -1.11 37.92 8.25 53.84 15.90 10.51 13.73 5.61 46.56 0.03 6.01 1.65 25 I C C 54.77 12.20 12.08 25.16 112.60 111.36 -82.12 124.68 69.30 15.44 15.26 48.38 15.66 4.77 6.63 8.84 0.05 8.16 7.52 26 R C C 126.40 6.94 16.08 23.75 99.03 -155.05 -76.85 -10.58 74.47 16.04 9.49 40.54 23.66 10.34 4.30 5.17 0.09 9.68 6.22 27 F C C 83.40 9.89 11.40 22.34 112.75 55.21 -105.03 107.35 59.19 34.64 6.18 28.39 21.58 8.57 3.01 3.05 0.31 11.96 23.14 28 V C T 100.11 4.86 11.09 17.76 109.79 -117.15 -70.35 127.10 91.09 6.00 2.91 5.00 8.56 77.64 0.74 1.92 0.01 3.78 2.35 29 G C T 66.87 0.60 13.50 12.69 95.64 11.82 80.61 -0.57 98.00 0.84 1.15 4.46 12.48 81.09 0.14 1.01 0.00 0.63 0.20 30 R C C 123.41 5.08 10.26 17.47 125.51 101.81 -112.60 153.54 88.44 10.38 1.18 50.54 36.00 2.53 0.37 0.84 0.00 4.58 5.15 31 Q C C 137.19 1.91 15.31 17.59 112.81 -100.63 -73.05 140.70 83.36 15.51 1.13 78.33 3.52 1.17 0.43 0.64 0.00 9.34 6.56 32 K C C 87.84 14.34 9.25 23.03 114.31 -110.59 -76.19 136.83 87.34 11.21 1.45 78.36 6.94 1.80 0.43 1.04 0.00 8.32 3.10 33 E C C 111.19 4.68 17.55 23.32 119.62 -154.01 -107.78 136.44 71.17 27.59 1.24 63.01 5.30 1.21 0.61 0.71 0.00 17.58 11.59 34 V C C 75.43 11.64 12.41 24.61 117.21 -134.70 -91.12 133.61 73.18 25.84 0.98 65.28 5.52 0.81 0.57 0.48 0.00 14.76 12.58 35 N C C 53.73 11.35 11.35 23.80 111.11 -122.43 -83.42 125.51 95.61 3.68 0.70 91.47 3.62 0.79 0.33 0.26 0.00 2.23 1.30 36 E C T 144.63 2.84 15.38 19.33 94.31 -150.19 -72.76 -18.57 89.57 0.73 9.70 10.03 16.03 63.77 5.68 3.71 0.00 0.44 0.34 37 N C T 92.47 5.53 14.41 21.10 98.82 57.58 -94.60 14.58 89.12 0.88 10.00 12.57 13.65 63.11 6.15 3.58 0.01 0.45 0.48 38 F C C 59.66 10.89 13.96 26.15 113.00 118.43 -77.94 143.17 67.67 3.46 28.87 55.75 6.94 4.59 26.10 3.07 0.00 1.13 2.42 39 A H H 34.96 13.68 15.56 29.41 94.38 -111.13 -62.98 -38.40 11.58 0.27 88.14 7.62 1.56 3.19 82.62 4.77 0.01 0.14 0.10 40 I H H 73.35 8.98 17.28 26.98 92.66 53.10 -65.69 -39.91 3.84 0.13 96.03 1.48 0.57 1.95 89.71 6.16 0.01 0.09 0.03 41 D H H 79.10 3.49 19.15 22.79 92.24 50.50 -66.04 -38.36 2.79 0.12 97.09 1.01 0.38 1.45 90.00 7.04 0.01 0.09 0.02 42 L H H 40.41 10.85 15.81 28.03 92.21 52.04 -65.66 -40.45 3.35 0.11 96.54 1.19 0.47 1.79 91.04 5.39 0.01 0.09 0.02 43 I H H 40.59 15.14 14.22 29.64 92.11 52.72 -64.33 -39.36 3.51 0.06 96.43 0.67 0.35 2.43 84.39 12.08 0.01 0.04 0.02 44 A H H 65.75 5.83 16.37 23.31 91.15 57.17 -68.58 -23.92 18.85 0.04 81.11 0.81 0.78 16.88 69.43 12.05 0.02 0.02 0.02 45 E H H 129.12 2.90 17.08 20.39 94.49 55.60 -85.58 -9.96 43.65 0.07 56.28 1.49 2.35 38.60 45.85 11.61 0.02 0.03 0.05 46 Q C S 59.93 14.58 10.46 24.91 118.04 93.21 -87.48 138.82 99.40 0.43 0.17 20.94 78.31 0.29 0.13 0.03 0.00 0.12 0.20 47 P C C 87.01 3.16 19.95 23.05 115.40 -104.29 -65.71 148.55 98.45 1.49 0.06 97.06 1.52 0.16 0.01 0.03 0.00 0.99 0.23 48 V C C 61.06 18.05 11.10 27.89 115.33 -109.24 -77.74 137.08 80.69 19.23 0.08 75.77 4.33 0.23 0.02 0.07 0.00 18.75 0.83 49 S E E 50.62 7.73 18.95 27.77 126.14 -170.34 -122.05 142.95 6.62 93.35 0.03 5.97 0.58 0.05 0.01 0.02 0.00 92.13 1.25 50 E E E 121.16 5.73 18.23 25.48 114.50 -114.28 -78.14 134.48 5.66 94.30 0.04 5.43 0.23 0.03 0.02 0.02 0.00 92.88 1.38 51 V C C 25.20 18.89 9.54 27.66 124.48 -166.72 -117.68 142.66 50.40 49.42 0.19 50.47 0.73 0.15 0.04 0.11 0.00 47.25 1.25 52 E C S 152.92 1.42 19.18 19.95 97.01 -158.32 -91.12 -15.65 85.39 14.11 0.50 32.77 45.94 5.72 0.04 0.55 0.00 14.44 0.55 53 T C S 66.52 6.39 17.90 25.40 130.45 50.82 -122.64 154.47 88.84 10.67 0.49 10.51 69.52 7.47 0.02 0.46 0.00 11.60 0.42 54 R C S 106.45 13.61 16.26 29.56 97.76 -135.21 -81.51 -11.15 79.28 20.40 0.32 32.96 43.23 1.94 0.02 0.32 0.00 21.12 0.40 55 V E E 55.46 9.85 21.50 32.34 126.43 55.23 -125.68 135.71 11.86 88.12 0.02 10.70 0.93 0.05 0.00 0.02 0.00 87.96 0.34 56 I E E 13.87 22.70 17.23 39.84 125.80 -171.41 -122.56 137.86 1.17 98.83 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.84 0.06 57 A E E 39.32 11.31 25.90 37.54 127.46 -160.80 -116.13 143.31 1.81 98.19 0.00 1.67 0.06 0.00 0.00 0.00 0.00 98.22 0.05 58 C E E 11.78 22.97 16.46 38.89 127.24 -166.13 -124.52 144.25 20.49 79.45 0.05 18.50 1.39 0.11 0.01 0.03 0.00 79.35 0.61 59 D C C 64.97 8.71 22.92 32.07 102.48 -141.09 -90.69 52.42 66.01 33.76 0.23 58.58 5.30 0.82 0.05 0.21 0.00 33.29 1.76 60 G C C 26.76 13.74 16.16 29.73 98.66 -142.18 39.37 0.75 92.90 5.86 1.24 61.08 21.34 10.24 0.22 1.30 0.00 3.98 1.83 61 G C S 39.81 7.88 16.39 25.09 109.12 -115.68 85.22 28.04 92.57 4.37 3.06 30.21 39.73 22.29 0.38 3.08 0.00 2.10 2.22 62 G C S 51.43 3.90 14.87 20.26 116.01 -76.40 104.18 155.73 90.38 4.41 5.21 31.28 40.70 17.41 0.68 5.00 0.00 1.54 3.39 63 G C G 47.52 2.86 14.82 18.78 122.93 12.59 83.18 -158.77 59.49 1.16 39.35 7.78 18.87 29.80 1.38 40.85 0.00 0.49 0.83 64 A C T 91.36 2.35 14.51 17.81 93.52 -37.53 -69.99 -20.76 58.56 0.30 41.14 1.70 6.52 46.12 0.90 44.44 0.00 0.15 0.18 65 L C T 85.96 8.70 14.27 23.89 96.39 52.86 -89.14 -2.66 61.70 0.75 37.55 2.89 8.06 47.60 1.33 39.31 0.00 0.38 0.42 66 G C C 29.48 9.21 17.26 27.34 106.25 -126.05 77.02 14.86 83.68 9.26 7.06 47.41 22.93 12.26 1.33 5.94 0.01 3.17 6.96 67 H C C 53.81 15.93 16.11 31.76 120.00 -50.35 -93.62 141.28 91.01 8.85 0.14 69.80 21.46 0.48 0.04 0.11 0.00 5.11 3.00 68 P C C 34.50 13.44 20.21 34.23 115.99 -103.25 -66.94 150.34 90.70 9.25 0.05 79.85 10.27 0.39 0.01 0.05 0.00 8.49 0.94 69 K E E 83.94 14.68 20.23 34.05 117.74 -130.62 -96.52 134.46 15.11 84.88 0.02 12.70 2.65 0.08 0.00 0.01 0.00 83.82 0.73 70 V E E 19.81 18.76 19.26 38.08 126.31 -171.47 -125.83 137.75 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.53 0.02 71 Y E E 72.15 12.71 23.99 36.83 117.78 -148.59 -102.53 129.82 0.48 99.52 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 72 I E E 8.52 23.24 17.87 41.44 120.79 -166.45 -115.52 128.68 3.03 96.97 0.00 2.73 0.11 0.00 0.00 0.00 0.00 97.05 0.10 73 N E E 47.18 8.82 24.36 34.23 108.51 -141.83 -93.89 112.29 14.77 85.16 0.07 13.84 0.59 0.07 0.02 0.04 0.00 84.92 0.53 74 L C C 16.61 22.20 14.21 36.55 96.31 -171.27 -80.20 -9.75 77.36 13.93 8.72 35.06 18.70 24.98 1.50 6.63 0.01 11.70 1.41 75 D C T 88.28 6.22 18.38 25.29 94.94 70.19 -79.72 -12.84 83.13 6.86 10.01 22.03 30.55 31.49 2.15 7.36 0.02 4.51 1.89 76 K C S 112.00 5.07 15.40 21.71 117.68 73.25 -99.10 138.73 81.71 4.59 13.70 24.50 33.54 24.71 3.15 9.58 0.05 2.57 1.88 77 E C C 129.80 5.20 14.42 21.18 105.00 -116.40 -74.78 81.43 89.09 3.70 7.21 34.78 24.16 30.62 2.02 4.99 0.01 2.20 1.22 78 T C C 56.78 9.51 13.41 23.93 126.44 109.71 -116.86 155.94 88.58 6.54 4.88 42.49 25.02 21.65 1.38 3.50 0.00 4.19 1.76 79 K C S 128.53 6.90 17.39 25.05 97.59 -131.56 -81.89 -10.38 90.01 8.87 1.11 34.95 47.35 7.63 0.19 0.97 0.00 7.78 1.12 80 T C C 64.49 9.51 18.71 28.73 126.17 43.23 -121.76 142.70 58.52 41.10 0.37 42.44 12.77 2.86 0.05 0.39 0.00 40.46 1.02 81 G E E 13.29 14.60 19.22 34.16 139.07 159.20 -154.93 172.97 15.80 84.11 0.09 12.94 2.57 0.34 0.02 0.07 0.00 83.31 0.75 82 T E E 61.32 9.51 24.37 34.28 126.77 -105.29 -119.62 142.54 3.66 96.32 0.02 3.38 0.19 0.01 0.02 0.01 0.00 87.48 8.91 83 C C C 4.91 24.58 13.52 38.95 109.85 -115.33 -76.20 127.35 80.86 19.11 0.03 81.40 0.46 0.07 0.00 0.02 0.00 16.98 1.07 84 G C T 34.66 8.64 22.25 31.74 94.10 -146.91 -69.97 -27.81 99.42 0.15 0.43 0.48 5.67 93.25 0.01 0.46 0.00 0.10 0.03 85 Y C T 96.08 11.67 20.16 31.59 100.79 43.38 -85.05 -38.04 99.60 0.06 0.34 0.10 3.28 96.29 0.00 0.28 0.00 0.03 0.02 86 C C T 36.02 13.49 18.32 32.30 102.06 17.88 -108.53 -9.50 99.63 0.11 0.25 0.31 3.52 95.84 0.01 0.25 0.00 0.05 0.02 87 G C C 28.48 9.10 21.14 31.31 95.09 -119.46 79.92 8.21 98.75 1.15 0.10 88.79 4.46 5.55 0.02 0.08 0.00 0.77 0.33 88 L C C 26.37 17.41 17.21 35.42 116.90 148.74 -76.03 141.52 92.30 7.70 0.00 92.40 0.76 0.02 0.00 0.00 0.00 6.27 0.55 89 Q E E 63.45 11.10 24.07 35.40 117.34 -137.60 -97.59 131.62 0.99 99.01 0.00 0.97 0.03 0.00 0.00 0.00 0.00 97.49 1.51 90 F E E 12.99 23.40 16.17 39.55 126.72 -169.71 -120.42 143.38 1.42 98.58 0.00 1.36 0.04 0.00 0.00 0.00 0.00 98.57 0.03 91 R E E 92.27 8.85 23.15 32.41 124.65 -152.13 -118.00 139.60 7.48 92.50 0.02 7.11 0.26 0.02 0.01 0.01 0.00 92.05 0.53 92 Q E E 61.67 15.31 13.54 28.77 114.69 -125.27 -85.28 133.80 37.69 62.11 0.20 33.49 2.80 0.57 0.05 0.17 0.00 61.59 1.34 93 H C C 109.20 6.51 14.17 22.06 115.61 -162.05 -103.94 129.50 85.24 14.47 0.29 80.59 2.58 1.24 0.05 0.25 0.00 14.55 0.74 94 H C C 129.85 4.90 13.58 19.90 110.36 -125.22 -88.11 118.77 99.77 0.20 0.02 99.31 0.38 0.13 0.00 0.01 0.00 0.15 0.02