# 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 49.46 14.99 20.18 34.92 121.61 -164.12 -108.09 136.95 99.38 0.62 0.00 99.38 0.13 0.01 0.00 0.00 0.00 0.46 0.01 1 F E E 46.74 14.71 20.88 35.66 131.51 -172.98 -127.47 149.54 8.00 92.00 0.00 7.91 0.15 0.01 0.00 0.00 0.00 91.70 0.22 2 A E E 6.12 21.05 19.65 40.97 129.07 -164.09 -125.57 145.85 0.74 99.26 0.00 0.70 0.01 0.00 0.00 0.00 0.00 99.28 0.00 3 I E E 28.34 13.86 24.66 39.26 116.84 -142.92 -105.52 126.77 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 4 V E E 6.28 22.89 18.19 41.41 123.45 -169.53 -118.29 133.69 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 5 K E E 82.27 8.48 22.64 31.66 115.04 -145.10 -101.02 125.00 0.62 99.38 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.00 6 T E E 24.39 17.94 12.16 29.77 120.51 172.99 -132.64 122.16 7.91 92.06 0.03 5.71 1.36 0.25 0.00 0.03 0.00 92.50 0.15 7 G C T 53.53 4.09 15.57 20.77 96.08 -21.05 57.56 34.98 99.37 0.42 0.20 0.39 6.49 92.57 0.00 0.21 0.00 0.29 0.03 8 G C T 63.78 1.26 14.72 15.76 96.89 -41.36 81.10 0.68 99.74 0.14 0.12 0.44 6.87 92.45 0.00 0.14 0.00 0.09 0.01 9 K E E 115.56 3.92 14.73 20.59 126.75 96.58 -114.30 145.85 7.58 92.41 0.01 5.87 1.18 0.05 0.00 0.01 0.00 92.78 0.12 10 Q E E 95.72 9.83 13.68 24.64 119.74 -134.54 -100.83 134.07 1.44 98.56 0.00 1.29 0.03 0.00 0.00 0.00 0.00 98.68 0.01 11 Y E E 52.30 14.40 15.83 31.13 128.24 -172.56 -128.09 141.65 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 12 R E E 125.51 6.59 22.96 30.37 116.02 -134.05 -95.76 130.23 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 13 V E E 8.01 23.90 12.38 36.30 125.96 -170.90 -121.70 140.20 2.22 97.78 0.00 2.29 0.03 0.00 0.00 0.00 0.00 97.53 0.15 14 E C C 99.98 3.96 23.82 27.64 127.13 -155.18 -114.83 153.92 92.93 7.06 0.00 93.47 0.24 0.01 0.00 0.00 0.00 6.14 0.14 15 P C T 79.97 9.77 14.27 25.00 109.94 -80.37 -58.95 135.48 99.45 0.40 0.15 0.18 1.42 98.05 0.01 0.09 0.00 0.20 0.05 16 G C T 52.17 2.52 18.61 21.43 95.98 22.78 88.12 -6.29 99.79 0.13 0.08 0.27 1.55 98.03 0.00 0.06 0.00 0.08 0.01 17 L C C 61.91 10.68 14.56 26.55 118.28 127.49 -76.14 145.79 95.96 4.00 0.03 92.19 3.75 0.11 0.01 0.03 0.00 3.60 0.31 18 K E E 111.55 7.96 19.32 28.49 118.68 -138.16 -104.38 131.61 16.41 83.52 0.06 16.52 0.30 0.04 0.03 0.02 0.00 81.24 1.84 19 L E E 17.08 21.57 14.68 36.02 126.23 -170.81 -123.07 140.30 6.36 93.56 0.08 6.01 0.30 0.05 0.04 0.03 0.00 93.37 0.19 20 R E E 117.96 7.07 23.63 31.38 118.53 -146.49 -105.30 128.51 5.39 94.48 0.13 5.11 0.28 0.07 0.07 0.05 0.00 94.22 0.21 21 V E E 14.69 22.26 14.07 36.19 119.57 -165.26 -113.47 127.44 13.72 85.24 1.04 12.81 0.87 0.33 0.48 0.52 0.00 84.49 0.51 22 E E E 91.26 6.62 21.79 28.56 116.34 -149.56 -87.34 152.45 39.97 58.34 1.68 25.88 11.29 2.54 0.40 1.26 0.01 58.11 0.51 23 K C C 114.56 8.73 19.35 28.52 107.32 -35.57 -72.07 118.39 57.78 40.79 1.44 43.40 11.12 2.82 0.24 1.39 0.00 39.87 1.16 24 L C C 35.31 19.15 11.95 30.28 119.56 -167.01 -108.77 135.35 72.91 26.49 0.60 66.08 5.23 0.88 0.20 0.44 0.00 23.55 3.62 25 D C C 118.89 1.56 21.91 22.47 101.87 -140.00 -86.79 59.80 93.39 6.43 0.18 79.79 12.13 1.57 0.05 0.17 0.00 5.42 0.87 26 A C C 22.51 17.18 10.56 27.26 131.04 122.30 -119.92 158.26 97.86 2.07 0.06 86.94 10.76 0.28 0.02 0.04 0.00 0.71 1.25 27 E C C 127.94 1.90 20.82 21.65 118.39 -109.36 -82.64 150.14 99.81 0.17 0.03 98.17 1.55 0.11 0.01 0.01 0.00 0.05 0.11 28 P C T 85.32 8.56 12.87 22.80 109.77 -87.39 -58.72 135.76 99.73 0.13 0.14 0.37 2.16 97.26 0.01 0.09 0.00 0.07 0.03 29 G C T 52.87 2.49 17.45 20.30 95.79 22.72 87.39 -5.39 99.79 0.12 0.10 0.54 2.09 97.20 0.00 0.08 0.00 0.08 0.01 30 A C C 40.95 9.14 14.18 25.10 119.30 130.05 -76.81 149.45 92.03 7.93 0.05 84.95 6.56 0.21 0.01 0.05 0.00 7.79 0.44 31 T E E 76.67 7.80 18.24 27.32 122.01 -138.48 -109.35 137.69 10.21 89.78 0.01 10.24 0.21 0.01 0.00 0.00 0.00 88.99 0.54 32 V E E 15.86 20.44 14.31 34.74 127.16 -170.10 -125.25 141.04 0.83 99.17 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.16 0.04 33 E E E 97.25 7.29 23.99 31.82 117.24 -147.52 -105.67 127.45 1.19 98.81 0.00 1.11 0.03 0.00 0.00 0.00 0.00 98.79 0.07 34 L E E 8.53 23.94 16.24 40.29 122.82 -170.28 -115.93 133.24 16.31 83.68 0.01 15.76 0.31 0.01 0.00 0.00 0.00 83.71 0.19 35 P E E 33.25 10.70 24.91 36.60 114.57 -134.56 -82.29 136.62 47.34 52.60 0.06 44.01 1.21 0.10 0.01 0.03 0.00 54.46 0.20 36 V E E 7.75 23.73 19.67 43.56 121.43 -159.71 -113.35 131.04 44.11 55.76 0.13 41.10 1.57 0.14 0.03 0.06 0.00 56.60 0.49 37 L E E 19.23 16.69 24.88 41.70 119.84 -161.55 -110.82 130.47 13.41 86.36 0.23 12.21 0.94 0.18 0.09 0.11 0.00 85.86 0.61 38 L E E 19.21 18.79 22.06 40.80 120.44 -158.58 -108.73 132.30 5.36 94.48 0.16 4.84 0.45 0.13 0.06 0.08 0.00 93.89 0.55 39 L E E 25.99 15.88 19.82 36.27 122.99 -167.21 -115.75 134.53 11.88 87.92 0.20 9.59 1.90 0.43 0.07 0.13 0.00 87.08 0.81 40 G C E 24.79 11.58 17.27 29.33 131.63 162.84 -154.24 165.76 54.24 45.32 0.43 34.52 14.01 4.80 0.06 0.43 0.00 45.52 0.66 41 G C S 42.45 5.04 16.33 22.36 121.38 19.50 86.56 -155.13 91.45 7.23 1.32 30.24 34.77 26.51 0.13 1.41 0.00 6.21 0.73 42 E C S 159.13 1.49 15.24 16.65 97.12 -29.25 -84.07 -14.05 95.52 2.36 2.11 27.80 35.95 31.85 0.27 1.97 0.00 1.71 0.46 43 K C C 126.80 3.33 16.84 21.24 125.47 37.05 -123.91 142.43 80.71 17.96 1.33 43.79 20.21 15.95 0.22 1.22 0.00 17.74 0.86 44 T E E 45.78 17.07 11.67 28.21 118.46 -136.97 -104.87 130.15 41.90 57.73 0.37 36.99 2.92 0.66 0.11 0.21 0.00 58.40 0.71 45 V E E 64.60 8.40 19.97 29.35 122.04 -167.97 -118.36 130.68 10.96 88.83 0.22 9.76 0.91 0.20 0.14 0.09 0.00 86.83 2.07 46 V E E 61.70 13.79 15.53 29.49 120.48 -161.32 -113.80 130.16 16.51 83.17 0.33 13.29 2.51 0.78 0.19 0.19 0.00 81.27 1.76 47 G C S 32.60 6.56 19.59 26.72 127.87 30.18 103.21 -165.55 75.28 24.48 0.24 26.08 43.37 5.29 0.04 0.23 0.00 24.20 0.77 48 T C S 86.96 4.89 20.33 25.99 116.27 -34.24 -90.44 132.43 89.34 10.39 0.28 25.86 58.77 4.44 0.04 0.27 0.00 9.74 0.88 49 P C C 41.09 18.38 14.77 32.15 106.03 -121.08 -69.01 126.60 87.52 11.58 0.90 44.13 34.86 8.68 0.13 0.85 0.00 10.20 1.15 50 V C C 67.99 9.88 22.03 31.98 117.62 98.98 -104.65 127.44 53.85 44.97 1.17 38.98 10.89 3.92 0.38 0.94 0.01 31.58 13.31 51 V C C 16.72 22.70 13.33 35.48 116.49 -165.88 -111.52 120.99 58.51 40.66 0.83 49.36 6.47 1.50 0.30 0.63 0.00 35.15 6.58 52 E C T 133.04 3.21 21.33 25.42 112.62 -134.65 -74.67 134.32 70.11 29.00 0.89 13.80 16.83 41.26 0.15 0.74 0.00 25.48 1.73 53 G C T 45.82 4.27 20.93 25.60 96.65 16.82 84.21 0.34 79.88 19.72 0.39 11.65 24.92 42.26 0.03 0.42 0.00 20.26 0.46 54 A C C 9.90 22.72 12.30 34.55 118.23 148.11 -82.21 142.81 72.20 27.75 0.05 67.16 3.10 0.20 0.01 0.05 0.00 29.11 0.37 55 S E E 44.26 8.59 26.38 35.48 126.71 -162.21 -123.17 141.30 3.70 96.30 0.00 3.54 0.15 0.01 0.00 0.00 0.00 96.10 0.20 56 V E E 5.14 25.79 16.63 42.96 124.57 -165.73 -122.30 133.85 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.81 0.00 57 V E E 47.19 8.60 27.46 37.06 120.17 -162.04 -115.64 129.83 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 58 A E E 4.49 25.69 15.51 41.56 127.73 -172.59 -122.10 145.28 0.24 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 59 E E E 80.73 6.37 26.91 34.00 121.14 -154.62 -116.39 132.26 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 60 V E E 24.82 21.19 14.35 35.67 109.72 -123.90 -79.28 122.30 0.21 99.79 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.78 0.01 61 L E E 75.65 6.56 20.98 28.49 100.00 175.70 -97.08 -27.42 6.24 93.75 0.01 3.58 2.27 0.23 0.00 0.01 0.00 93.85 0.05 62 G E E 27.07 5.71 23.21 29.71 143.89 -16.40 -171.95 166.88 16.61 83.38 0.01 4.05 11.75 0.72 0.00 0.01 0.00 83.37 0.10 63 H E E 88.44 16.26 14.84 30.32 127.33 -133.01 -125.37 138.69 29.94 70.00 0.05 24.48 4.22 0.33 0.01 0.05 0.00 70.70 0.22 64 G E E 23.29 8.94 19.31 29.07 139.78 165.48 -151.49 174.74 24.33 75.59 0.08 21.37 2.14 0.24 0.02 0.06 0.00 75.12 1.04 65 R E E 146.67 5.57 17.80 25.07 119.51 -93.22 -104.27 139.34 17.58 82.35 0.07 14.39 2.87 0.31 0.02 0.06 0.00 79.78 2.57 66 G E E 20.60 14.05 12.83 26.95 129.24 -144.22 -106.59 167.34 31.32 68.58 0.10 23.05 7.44 0.64 0.02 0.09 0.00 68.15 0.61 67 K E E 124.30 4.45 19.46 24.51 117.56 -86.23 -85.54 145.35 32.56 67.29 0.15 26.78 4.38 0.41 0.03 0.12 0.00 67.86 0.43 68 K E E 96.19 10.67 15.09 26.41 115.53 -113.95 -81.95 138.23 18.94 80.83 0.23 16.75 1.67 0.24 0.08 0.14 0.00 80.71 0.42 69 I E E 44.71 12.85 14.75 29.02 119.72 -151.82 -109.64 130.69 3.77 95.99 0.24 3.58 0.20 0.06 0.11 0.10 0.00 95.76 0.18 70 L E E 63.06 8.69 17.95 28.25 116.92 -151.03 -103.07 127.50 1.77 98.09 0.14 1.65 0.08 0.02 0.06 0.04 0.00 98.09 0.06 71 V E E 39.19 12.16 15.34 29.08 119.75 -165.08 -113.04 130.83 2.49 97.36 0.15 2.19 0.14 0.03 0.05 0.04 0.00 97.48 0.06 72 S E E 36.39 9.57 15.67 27.02 125.96 -170.72 -119.80 145.41 4.76 94.97 0.27 4.09 0.40 0.11 0.09 0.09 0.00 95.07 0.15 73 K E E 95.15 7.60 15.31 24.41 121.66 -154.29 -115.35 134.85 14.14 85.34 0.52 11.70 1.91 0.44 0.19 0.23 0.00 85.18 0.35 74 F E E 88.84 8.34 10.88 20.98 119.05 -149.98 -104.07 136.54 35.24 63.74 1.02 28.35 6.10 1.35 0.40 0.60 0.00 62.10 1.09 75 K C C 115.24 3.75 11.21 16.58 116.12 -141.28 -94.92 135.78 67.87 28.52 3.61 48.16 13.92 5.55 1.12 2.39 0.00 27.40 1.45 76 A C T 80.35 2.95 8.86 13.36 104.66 -109.90 -67.39 14.18 81.64 5.15 13.20 19.25 27.53 36.04 2.86 9.34 0.03 3.95 1.00 77 K C T 166.99 0.84 9.79 10.48 101.90 38.84 -72.89 9.65 82.72 4.63 12.64 23.65 24.92 35.03 2.58 9.43 0.01 3.40 0.98 78 V C T 106.64 2.14 8.53 12.01 106.65 43.35 -100.25 11.60 82.39 6.78 10.83 20.90 24.99 37.52 1.78 8.54 0.01 5.08 1.19 79 Q C T 133.34 2.14 10.00 13.33 103.72 -85.77 -82.96 70.96 82.16 13.64 4.20 27.40 19.02 35.83 0.54 3.71 0.00 12.65 0.85 80 Y C E 119.71 6.77 8.35 16.78 120.69 150.82 -102.43 139.31 53.03 45.54 1.43 43.52 6.25 2.61 0.32 1.23 0.00 44.09 1.97 81 R E E 135.12 4.57 11.61 18.10 121.50 -158.61 -117.03 137.80 33.12 66.34 0.53 28.14 3.46 1.25 0.14 0.39 0.00 65.38 1.25 82 R E E 138.16 6.32 11.44 19.63 117.58 -146.79 -99.91 133.23 26.46 73.27 0.27 22.89 2.41 0.68 0.06 0.19 0.00 73.15 0.62 83 K E E 105.52 7.82 12.43 21.71 121.84 -168.51 -112.81 139.55 24.71 75.07 0.22 19.66 3.72 0.73 0.04 0.16 0.00 75.30 0.39 84 K E E 128.95 5.22 14.54 21.58 121.82 -150.84 -111.47 137.57 19.08 80.79 0.13 15.00 2.90 0.50 0.02 0.11 0.00 81.09 0.39 85 G E E 25.75 11.01 12.49 24.33 133.88 162.26 -132.78 171.42 13.61 86.30 0.08 11.40 1.74 0.20 0.02 0.06 0.00 86.12 0.46 86 H E E 105.11 6.82 16.85 24.93 124.55 -112.23 -116.50 143.34 10.72 89.24 0.05 9.77 0.75 0.09 0.01 0.04 0.00 87.72 1.62 87 R E E 103.64 12.21 14.45 27.08 119.23 -139.30 -100.23 138.71 28.85 71.10 0.05 26.31 2.32 0.17 0.01 0.04 0.00 68.86 2.29 88 Q C C 66.05 11.65 15.89 28.36 116.76 -127.88 -89.89 137.37 71.27 28.71 0.01 67.22 3.15 0.10 0.00 0.01 0.00 29.08 0.44 89 P C C 64.15 9.60 18.08 28.34 104.39 -119.97 -69.25 92.48 70.46 29.50 0.04 58.40 9.51 0.36 0.00 0.04 0.00 31.36 0.32 90 Y E E 69.23 13.23 17.83 31.37 134.44 77.65 -135.32 154.87 17.76 82.21 0.03 15.35 1.88 0.14 0.00 0.03 0.00 82.08 0.52 91 T E E 24.13 16.82 17.86 35.15 125.58 -146.50 -117.42 143.23 3.65 96.35 0.00 3.43 0.11 0.00 0.00 0.00 0.00 96.34 0.10 92 E E E 63.31 11.95 22.88 35.07 122.54 -154.06 -115.04 136.00 1.46 98.54 0.00 1.29 0.06 0.00 0.00 0.00 0.00 98.63 0.02 93 L E E 14.29 22.48 17.47 39.99 119.01 -155.58 -108.59 128.61 1.20 98.80 0.00 1.13 0.02 0.00 0.00 0.00 0.00 98.85 0.01 94 L E E 58.29 8.29 24.99 33.91 116.96 -155.93 -105.13 126.27 0.87 99.12 0.00 0.83 0.01 0.00 0.00 0.00 0.00 99.14 0.01 95 I E E 18.16 22.14 12.72 34.99 112.09 -145.39 -90.84 121.04 1.00 99.00 0.00 1.01 0.01 0.00 0.00 0.00 0.00 98.96 0.02 96 K E E 112.32 4.05 20.76 25.32 100.55 177.20 -94.75 -33.27 5.68 94.31 0.01 3.62 1.34 0.07 0.00 0.01 0.00 94.95 0.02 97 E E E 96.89 3.91 22.40 26.65 137.15 1.19 -151.66 152.28 3.63 96.36 0.01 2.63 0.51 0.05 0.00 0.01 0.00 96.78 0.02 98 I E E 44.19 20.47 10.42 29.63 119.65 -149.88 -115.94 125.73 4.29 95.70 0.01 4.00 0.19 0.02 0.00 0.00 0.00 95.48 0.31 99 R E E 136.11 3.74 17.97 22.59 120.56 -171.96 -118.07 132.00 25.57 74.38 0.04 24.38 0.60 0.17 0.01 0.03 0.00 74.08 0.72 100 G C C 46.69 5.87 15.37 22.25 113.78 -44.85 69.82 137.42 99.51 0.49 0.00 99.29 0.21 0.05 0.00 0.00 0.00 0.43 0.01