# 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 Q C C 109.85 5.48 18.60 25.13 117.15 -150.46 -99.41 132.21 99.38 0.61 0.01 99.45 0.05 0.01 0.00 0.00 0.00 0.48 0.01 1 V C C 46.21 17.78 11.04 27.90 121.19 -165.20 -110.06 132.84 51.61 48.24 0.15 51.56 0.34 0.12 0.05 0.05 0.00 46.74 1.12 2 Q E E 101.39 4.62 19.73 25.22 120.61 -161.86 -109.88 133.85 26.44 73.27 0.29 24.37 1.37 0.30 0.14 0.14 0.00 72.41 1.26 3 L E E 58.93 18.10 12.29 29.41 120.34 -152.42 -103.68 135.01 26.91 72.68 0.40 25.27 1.22 0.27 0.17 0.19 0.00 71.86 1.02 4 Q E E 86.18 7.67 19.33 27.98 125.29 -169.03 -121.43 141.23 30.62 68.79 0.59 26.39 3.48 0.72 0.19 0.36 0.00 67.50 1.37 5 E E E 100.65 11.45 16.22 27.99 118.38 -130.30 -94.51 136.18 46.70 52.67 0.63 38.55 6.44 1.30 0.16 0.49 0.00 51.51 1.53 6 S C C 48.96 12.23 15.74 28.10 109.76 -149.63 -96.42 105.08 73.18 26.51 0.31 55.76 14.99 1.78 0.06 0.30 0.00 25.84 1.27 7 G C S 31.75 6.20 19.87 26.63 133.66 -101.89 116.68 -177.81 80.66 19.27 0.07 35.21 44.32 1.05 0.01 0.08 0.00 18.69 0.64 8 P C C 73.91 8.95 17.98 27.56 115.68 -38.75 -69.97 147.40 80.23 19.72 0.05 64.35 13.39 0.57 0.00 0.06 0.00 21.22 0.40 9 A E E 21.30 18.51 16.07 33.99 127.01 -169.20 -123.04 148.17 9.84 90.15 0.01 8.74 0.89 0.06 0.00 0.01 0.00 89.67 0.63 10 V E E 73.44 9.20 23.63 33.04 117.57 -136.31 -105.99 126.72 1.66 98.33 0.00 1.60 0.08 0.00 0.00 0.00 0.00 98.16 0.16 11 V E E 14.09 21.33 14.77 35.92 127.18 -172.96 -123.88 140.34 4.30 95.70 0.00 4.35 0.14 0.00 0.00 0.00 0.00 94.38 1.12 12 Q C C 90.73 4.74 23.78 28.35 119.84 -128.80 -82.79 151.97 93.07 6.92 0.01 92.70 0.71 0.03 0.00 0.01 0.00 6.16 0.39 13 P C T 48.24 15.33 13.98 29.24 109.95 -87.24 -60.83 140.22 99.62 0.14 0.24 0.21 2.18 97.34 0.00 0.16 0.00 0.08 0.02 14 S C T 76.91 4.60 19.82 25.27 94.41 16.55 77.01 0.33 99.64 0.10 0.25 0.25 2.28 97.21 0.00 0.18 0.00 0.06 0.01 15 E C C 82.60 7.79 17.50 26.51 124.99 116.69 -95.77 155.54 95.10 4.78 0.12 69.78 25.18 0.40 0.01 0.14 0.00 4.04 0.46 16 T C C 73.70 9.57 18.29 28.78 122.59 -130.43 -106.92 139.54 58.90 41.09 0.00 59.80 0.33 0.01 0.00 0.00 0.00 39.33 0.52 17 L E E 16.76 21.20 15.43 36.59 126.00 -167.76 -122.31 141.29 0.57 99.43 0.00 0.60 0.01 0.00 0.00 0.00 0.00 99.34 0.06 18 S E E 55.47 8.57 24.07 33.27 122.65 -156.81 -113.94 134.90 0.38 99.62 0.00 0.38 0.00 0.00 0.00 0.00 0.00 99.60 0.01 19 L E E 8.07 24.65 16.43 41.28 125.43 -170.50 -123.25 136.95 3.79 96.20 0.00 3.64 0.12 0.00 0.00 0.00 0.00 96.17 0.06 20 T E E 58.17 8.70 26.42 35.66 122.47 -156.85 -111.74 137.90 19.98 79.99 0.02 18.58 0.65 0.04 0.00 0.01 0.00 80.58 0.14 21 C E E 4.75 25.67 16.41 42.50 128.55 -170.55 -129.75 140.96 23.44 76.46 0.09 22.42 0.76 0.10 0.03 0.05 0.00 76.29 0.35 22 A E E 41.51 8.71 27.34 36.87 122.36 -159.03 -114.24 136.14 11.53 88.34 0.13 10.80 0.67 0.10 0.07 0.06 0.00 85.33 2.97 23 V E E 12.14 24.46 14.95 39.35 122.31 -162.97 -116.10 134.65 22.52 77.25 0.23 20.91 1.29 0.21 0.11 0.13 0.00 74.31 3.03 24 S C E 58.02 7.34 21.65 29.32 118.71 -153.31 -99.02 141.23 56.98 42.26 0.75 33.88 16.33 8.01 0.10 0.76 0.00 39.59 1.33 25 G C S 46.20 5.04 19.41 25.20 114.04 11.86 99.03 -165.70 80.57 18.17 1.26 15.97 47.94 16.42 0.11 1.18 0.00 17.08 1.29 26 G C C 36.36 8.32 17.96 26.93 123.93 60.99 111.39 -174.05 77.65 20.02 2.33 37.91 32.42 8.32 0.34 2.22 0.00 15.87 2.91 27 S C C 57.88 9.48 20.64 30.30 121.43 -88.47 -106.38 142.07 77.09 19.86 3.05 62.60 9.31 4.41 0.75 2.56 0.00 15.71 4.65 28 I C C 29.54 22.28 12.98 34.13 112.18 -149.54 -99.50 122.77 74.72 18.86 6.41 54.49 11.40 8.45 1.64 5.04 0.01 13.56 5.41 29 S C C 65.62 6.68 19.23 26.76 117.57 -164.54 -104.32 142.98 77.44 14.78 7.78 42.00 18.53 18.19 1.41 6.15 0.02 9.53 4.16 30 G C T 49.50 5.04 18.27 24.15 109.38 2.38 51.48 19.49 86.02 6.45 7.53 10.28 34.15 42.51 0.84 6.24 0.01 4.60 1.38 31 G C T 42.95 7.80 18.83 26.87 100.61 -36.10 83.51 1.57 86.04 9.96 4.00 13.96 36.19 36.45 0.35 3.56 0.00 8.45 1.04 32 Y C E 55.29 16.66 16.81 33.30 121.22 110.28 -102.65 144.45 51.05 47.72 1.23 33.59 14.38 4.89 0.22 1.15 0.00 44.02 1.74 33 G E E 9.98 15.64 24.32 39.88 137.25 -164.42 -140.49 163.77 17.72 82.21 0.08 14.97 2.28 0.25 0.02 0.06 0.00 81.90 0.53 34 W E E 8.12 25.24 20.77 46.21 131.01 -144.64 -130.11 147.51 2.74 97.25 0.01 2.48 0.13 0.01 0.00 0.00 0.00 97.28 0.10 35 T E E 21.81 16.60 27.86 44.16 134.79 -175.23 -134.97 151.33 1.12 98.88 0.00 1.00 0.04 0.00 0.00 0.00 0.00 98.94 0.02 36 W E E 9.06 24.64 21.79 46.45 125.18 -149.21 -117.00 138.70 1.01 98.99 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.06 0.01 37 I E E 18.84 16.80 24.49 41.38 128.66 -168.68 -126.09 142.88 0.71 99.29 0.00 0.62 0.02 0.00 0.00 0.00 0.00 99.33 0.02 38 R E E 52.31 16.87 21.01 37.37 121.84 -155.83 -112.02 134.62 1.29 98.71 0.00 1.09 0.08 0.00 0.00 0.00 0.00 98.78 0.05 39 Q E E 52.24 12.75 17.47 31.08 118.38 -153.44 -108.56 129.15 15.94 84.05 0.01 14.42 0.83 0.03 0.00 0.01 0.00 84.13 0.58 40 A C C 37.57 8.52 14.99 25.28 117.89 -124.62 -73.05 153.89 97.85 2.08 0.07 95.94 1.51 0.44 0.01 0.05 0.00 1.83 0.21 41 P C T 95.70 5.27 12.05 19.24 109.49 -79.76 -58.36 135.89 99.13 0.14 0.73 0.48 3.60 95.00 0.02 0.78 0.00 0.08 0.03 42 G C T 68.58 0.34 13.18 11.17 94.90 17.78 82.77 -3.15 99.01 0.12 0.87 0.70 3.59 94.62 0.02 0.97 0.00 0.08 0.02 43 K C S 115.76 4.13 11.01 17.20 128.29 92.21 -118.46 163.42 95.05 3.74 1.21 37.91 53.21 4.09 0.15 1.19 0.00 1.91 1.52 44 A C C 69.90 2.86 17.33 20.32 120.22 -97.07 -78.05 164.63 92.07 7.79 0.14 76.17 15.12 0.77 0.02 0.14 0.00 6.83 0.94 45 L E E 51.95 18.88 11.58 29.43 114.87 -90.92 -73.99 137.81 47.42 52.55 0.03 45.34 1.20 0.06 0.00 0.03 0.00 53.01 0.36 46 E E E 81.60 8.39 21.75 30.77 124.93 -166.06 -121.51 137.70 3.23 96.76 0.01 2.82 0.23 0.01 0.00 0.00 0.00 96.83 0.10 47 W E E 98.85 15.35 19.06 33.97 110.54 -113.68 -72.97 127.13 0.63 99.36 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.37 0.02 48 I E E 15.80 19.86 20.87 40.94 100.88 176.90 -100.63 -25.16 3.73 96.26 0.01 2.14 1.25 0.14 0.00 0.01 0.00 96.43 0.03 49 G E E 3.02 18.63 23.50 42.52 146.15 -37.05 168.12 173.65 2.46 97.53 0.01 1.50 0.61 0.08 0.00 0.01 0.00 97.78 0.03 50 N E E 33.80 16.68 25.31 41.47 134.25 -122.56 -140.61 150.31 3.89 96.10 0.02 3.55 0.20 0.02 0.00 0.01 0.00 96.14 0.09 51 I E E 9.53 22.83 19.95 42.91 119.39 -147.30 -113.45 128.72 7.28 92.65 0.07 6.26 0.82 0.12 0.02 0.04 0.00 91.55 1.19 52 Y E E 71.85 12.13 22.44 34.73 121.38 -171.02 -114.27 137.92 34.42 65.19 0.38 24.24 9.30 2.26 0.08 0.35 0.00 62.48 1.29 53 G C S 24.52 13.16 17.04 29.90 121.04 37.70 -56.72 -160.85 76.23 21.92 1.84 21.76 31.11 24.24 0.17 1.81 0.01 19.43 1.48 54 H C T 132.33 5.40 16.40 22.83 98.82 -65.10 -81.62 -16.59 90.72 6.19 3.09 11.15 31.83 47.89 0.26 3.01 0.00 4.72 1.13 55 S C T 78.62 3.05 16.43 20.12 109.04 36.20 -106.69 19.46 93.63 3.33 3.05 11.25 30.73 51.48 0.23 3.18 0.00 2.42 0.72 56 G C S 37.93 8.94 14.46 24.06 116.21 -104.66 96.69 -13.84 81.41 16.06 2.53 27.85 36.87 17.46 0.32 2.44 0.00 12.62 2.44 57 S C C 60.41 7.71 17.72 26.19 118.69 -61.12 -96.03 142.31 71.48 27.23 1.29 53.97 13.18 3.81 0.27 1.23 0.00 24.34 3.20 58 T C C 55.12 15.54 14.70 29.75 113.32 -166.52 -111.88 102.33 55.14 43.58 1.28 42.56 9.76 2.87 0.34 1.10 0.00 39.64 3.73 59 N E E 81.82 7.21 21.85 29.62 121.71 126.99 -115.08 133.53 43.05 56.09 0.86 32.31 9.95 2.14 0.31 0.69 0.00 49.74 4.85 60 Y E E 64.32 19.99 13.03 31.62 123.34 -159.59 -107.11 142.45 43.55 55.89 0.57 36.18 4.93 0.56 0.41 0.30 0.00 37.71 19.90 61 K C C 66.22 11.22 15.41 27.72 112.45 -115.81 -76.57 134.26 98.23 1.67 0.10 97.07 1.41 0.13 0.04 0.02 0.00 1.06 0.27 62 S H G 77.53 3.32 16.29 20.71 91.86 -127.38 -59.22 -34.56 31.66 0.20 68.14 1.61 2.36 26.61 23.20 45.99 0.02 0.13 0.09 63 S H G 63.30 5.11 17.25 23.54 90.82 61.85 -68.27 -22.43 29.92 0.11 69.98 0.70 1.52 27.63 21.39 48.63 0.01 0.06 0.06 64 L H G 9.85 22.39 11.20 33.46 96.98 46.43 -95.57 -8.34 23.57 0.19 76.23 1.69 2.08 18.69 23.96 53.37 0.02 0.11 0.08 65 K H G 101.05 13.26 14.81 28.06 91.90 92.12 -59.47 -34.48 31.62 0.48 67.90 2.68 2.26 25.04 24.36 45.08 0.06 0.28 0.25 66 R C T 182.18 1.06 20.89 20.30 91.72 54.98 -73.29 -16.94 50.87 0.24 48.89 0.93 2.05 48.87 10.58 37.26 0.01 0.15 0.16 67 R C T 81.05 13.05 17.00 30.19 99.50 46.91 -102.12 -12.19 60.55 0.60 38.84 2.08 4.97 53.54 6.82 31.92 0.01 0.45 0.20 68 L E E 7.09 25.30 11.96 37.24 128.36 59.49 -122.32 144.43 15.86 83.97 0.17 12.78 3.47 0.19 0.09 0.08 0.00 82.27 1.12 69 T E E 62.71 6.15 26.66 33.30 123.95 -167.49 -122.00 137.88 3.97 95.99 0.03 3.62 0.22 0.02 0.01 0.01 0.00 95.93 0.18 70 I E E 27.78 23.48 14.39 37.32 121.62 -156.94 -113.09 130.90 3.81 96.14 0.05 3.49 0.18 0.02 0.02 0.02 0.00 96.14 0.12 71 S E E 45.76 7.21 24.33 31.80 129.85 -165.92 -129.59 150.87 4.92 95.05 0.04 4.32 0.32 0.03 0.01 0.02 0.00 95.20 0.11 72 T E E 55.58 16.86 13.99 30.18 121.97 -148.29 -116.67 131.86 6.20 93.72 0.09 5.17 0.83 0.12 0.02 0.06 0.00 93.45 0.35 73 D E E 53.26 7.73 16.00 25.61 109.97 -158.18 -108.14 109.11 25.07 74.81 0.13 23.93 1.01 0.15 0.03 0.09 0.00 73.49 1.31 74 T C T 86.04 6.98 12.84 21.89 93.66 -168.50 -69.98 -23.62 85.87 0.99 13.14 2.68 9.01 71.94 0.33 15.09 0.00 0.74 0.22 75 S C T 90.55 1.06 15.34 15.54 93.29 58.00 -71.73 -30.69 84.41 1.46 14.13 1.64 8.58 72.26 0.30 15.85 0.01 0.98 0.38 76 K C T 109.84 4.94 15.58 21.36 97.71 35.53 -95.47 -0.90 86.84 0.27 12.89 2.40 11.64 70.40 0.23 15.07 0.00 0.16 0.10 77 N C T 62.79 12.81 15.62 29.20 95.45 -129.95 56.78 40.99 99.36 0.31 0.33 7.79 8.73 82.85 0.03 0.30 0.00 0.26 0.04 78 Q E E 49.75 11.40 21.81 34.01 135.54 119.66 -135.18 154.26 12.14 87.84 0.02 10.32 1.38 0.10 0.01 0.02 0.00 85.37 2.80 79 F E E 9.42 23.84 18.14 42.18 126.50 -157.74 -123.11 141.83 3.24 96.76 0.00 3.03 0.10 0.01 0.00 0.00 0.00 96.69 0.16 80 S E E 21.83 13.12 26.25 39.87 128.31 -163.24 -124.09 142.28 5.12 94.88 0.00 4.35 0.23 0.01 0.00 0.00 0.00 95.39 0.02 81 L E E 4.80 25.36 18.73 44.68 122.80 -163.15 -118.02 133.14 0.62 99.38 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 82 K E E 85.05 9.16 26.83 36.42 117.42 -157.33 -108.32 125.85 0.23 99.77 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.01 83 L E E 9.27 24.45 15.13 39.98 117.51 -164.94 -109.31 124.92 8.00 92.00 0.00 8.29 0.05 0.00 0.00 0.00 0.00 90.76 0.89 84 T C C 67.93 6.26 22.69 29.25 117.65 -173.24 -96.77 145.67 90.84 9.13 0.03 50.01 37.53 1.89 0.00 0.05 0.00 10.31 0.21 85 S C S 63.20 4.56 24.28 28.98 104.07 11.29 49.96 80.50 97.44 2.54 0.02 12.36 82.48 2.41 0.00 0.02 0.00 2.57 0.15 86 V C C 12.83 24.92 11.43 36.11 115.25 -154.07 -87.24 132.90 97.48 2.52 0.00 97.22 0.86 0.01 0.00 0.00 0.00 1.30 0.61 87 T C C 53.82 5.57 24.95 30.43 134.30 172.09 -130.25 168.33 90.58 9.40 0.02 90.37 0.40 0.01 0.01 0.00 0.00 1.18 8.03 88 A H G 55.07 12.91 16.86 29.78 90.79 -97.55 -59.39 -31.94 5.86 0.06 94.07 0.42 0.55 4.02 0.67 94.29 0.00 0.05 0.00 89 A H G 63.56 6.17 21.65 28.76 89.88 62.74 -69.83 -18.87 4.99 0.09 94.92 0.26 0.42 3.51 0.46 95.27 0.00 0.07 0.00 90 D H G 12.27 21.94 17.16 39.26 93.86 62.32 -85.66 -1.77 5.70 0.10 94.21 1.04 0.74 2.53 0.56 95.05 0.00 0.08 0.00 91 T C C 35.66 17.15 22.12 38.69 113.25 105.23 -81.01 129.10 88.01 10.30 1.69 83.10 4.90 0.48 0.23 1.27 0.00 9.59 0.43 92 A E E 15.31 16.61 24.18 40.49 143.43 132.49 -149.85 168.88 8.33 91.62 0.05 7.88 0.57 0.05 0.02 0.03 0.00 90.37 1.09 93 V E E 30.20 16.70 25.42 41.80 117.63 -99.20 -99.41 132.22 1.50 98.49 0.01 1.50 0.06 0.00 0.00 0.00 0.00 98.39 0.05 94 Y E E 6.93 25.09 21.55 46.58 124.21 -164.80 -114.16 139.06 0.72 99.27 0.02 0.65 0.04 0.01 0.00 0.01 0.00 99.27 0.02 95 Y E E 26.10 19.03 27.52 45.71 130.55 -169.04 -125.84 145.75 1.63 98.33 0.04 1.43 0.10 0.01 0.01 0.02 0.00 98.38 0.05 96 C E E 3.16 24.84 23.68 48.31 125.76 -161.95 -120.20 140.07 5.89 94.00 0.12 5.04 0.50 0.08 0.03 0.06 0.00 94.12 0.18 97 A E E 8.07 19.16 24.37 43.34 128.31 -167.17 -121.72 145.47 6.47 93.34 0.18 5.78 0.48 0.11 0.06 0.08 0.00 93.17 0.33 98 R E E 53.87 15.90 21.68 37.24 122.88 -152.10 -113.49 135.94 10.77 88.94 0.29 8.57 2.08 0.46 0.08 0.16 0.00 87.80 0.84 99 W E E 87.11 12.69 17.59 30.70 119.13 -150.00 -107.81 131.99 30.22 69.31 0.47 22.05 7.42 1.77 0.09 0.38 0.00 67.48 0.81 100 S C C 48.07 8.49 13.76 23.55 123.19 -152.23 -114.97 155.51 67.80 31.15 1.05 41.59 18.60 7.19 0.13 1.03 0.00 30.56 0.89 101 T C S 101.23 3.31 12.94 17.33 100.03 -99.56 -75.00 -15.81 91.49 5.83 2.68 32.28 32.96 26.37 0.30 2.58 0.00 4.69 0.81 102 A C S 83.14 2.20 13.31 16.05 106.89 29.17 -95.29 -4.68 92.92 3.44 3.64 25.42 36.47 31.20 0.40 3.39 0.00 2.47 0.66 103 D C C 88.51 4.65 14.65 20.49 121.47 -2.43 -117.49 141.94 79.47 17.64 2.89 36.05 26.67 17.60 0.38 2.65 0.00 15.24 1.41 104 F C C 72.81 15.61 11.89 27.12 121.85 -145.41 -109.33 135.92 60.16 38.79 1.05 48.34 7.61 3.06 0.19 0.89 0.00 38.55 1.35 105 D E E 62.48 9.58 19.86 30.07 123.11 -164.13 -116.54 137.68 35.52 63.96 0.52 29.56 4.56 1.27 0.12 0.38 0.00 63.22 0.90 106 Y E E 86.05 15.85 18.07 33.27 119.44 -143.81 -102.79 132.61 17.05 82.58 0.37 14.46 2.09 0.58 0.15 0.22 0.00 79.91 2.58 107 W E E 57.85 16.92 18.44 34.93 109.77 -169.51 -103.28 68.66 29.21 70.13 0.66 23.08 4.87 2.24 0.25 0.49 0.00 66.24 2.83 108 G C C 21.01 13.92 19.98 33.34 123.26 -117.25 75.42 -157.65 70.04 29.32 0.64 34.19 26.67 9.36 0.06 0.67 0.00 28.05 0.99 109 Q C S 102.35 8.19 22.83 31.10 97.95 -31.25 -78.24 0.28 76.16 22.85 0.99 26.04 37.29 12.69 0.08 1.02 0.00 21.87 1.01 110 G C C 12.97 18.56 19.44 36.62 121.63 -115.35 88.00 173.75 65.03 34.49 0.48 38.87 19.41 5.69 0.04 0.55 0.00 34.76 0.69 111 V E E 17.17 21.27 20.38 41.11 120.86 -81.46 -108.52 133.67 13.91 86.04 0.05 12.23 1.28 0.11 0.01 0.03 0.00 85.90 0.44 112 L E E 63.43 11.82 25.91 37.61 115.73 -146.32 -95.29 128.05 2.59 97.40 0.01 2.34 0.14 0.01 0.00 0.00 0.00 97.42 0.08 113 V E E 7.43 24.90 16.96 42.17 120.99 -168.11 -115.05 131.02 1.16 98.83 0.01 1.10 0.05 0.01 0.00 0.00 0.00 98.80 0.04 114 T E E 55.91 7.92 25.84 34.27 121.33 -157.40 -110.28 134.33 1.87 98.12 0.01 1.75 0.11 0.02 0.00 0.01 0.00 98.03 0.09 115 V E E 22.83 21.59 13.34 34.40 118.40 -153.61 -102.68 131.49 9.37 90.58 0.05 8.71 0.52 0.07 0.02 0.03 0.00 90.00 0.65 116 S E E 52.63 6.98 17.79 25.60 126.20 -168.16 -111.05 159.38 48.80 51.13 0.07 47.37 0.85 0.16 0.02 0.04 0.00 50.33 1.23 117 S C C 78.05 5.30 15.91 22.54 107.53 -96.60 -77.46 110.15 99.64 0.36 0.00 99.58 0.13 0.03 0.00 0.00 0.00 0.24 0.01