# 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 D C C 103.51 3.55 20.68 24.38 104.44 -133.62 -79.14 77.51 99.74 0.26 0.00 99.65 0.12 0.03 0.00 0.00 0.00 0.19 0.01 1 I C C 36.02 20.83 10.13 29.56 118.20 -155.95 -99.37 130.52 59.61 40.27 0.13 58.56 0.57 0.17 0.03 0.06 0.00 39.83 0.78 2 Q E E 104.22 4.13 21.51 26.36 122.50 -167.73 -117.33 136.54 19.30 80.48 0.22 17.76 1.19 0.25 0.09 0.12 0.00 79.49 1.10 3 M E E 56.19 19.05 12.14 30.13 120.05 -152.63 -105.71 132.14 15.07 84.71 0.22 14.14 0.81 0.19 0.10 0.11 0.00 83.17 1.48 4 T E E 69.59 6.86 19.19 26.89 118.92 -169.99 -115.53 136.85 28.44 71.25 0.32 23.64 4.22 0.69 0.10 0.22 0.00 69.62 1.51 5 Q C E 90.20 9.97 17.01 27.57 126.39 -147.80 -125.37 140.54 58.38 41.29 0.33 38.36 19.42 1.53 0.07 0.29 0.00 39.08 1.25 6 S C C 51.45 12.22 15.24 27.75 120.69 -138.95 -94.93 142.97 86.29 13.51 0.20 62.12 22.64 1.16 0.04 0.19 0.00 13.13 0.73 7 P C C 51.33 11.36 15.72 27.63 115.03 -16.91 -71.25 152.19 88.97 8.36 2.67 63.88 16.87 7.50 0.37 2.69 0.00 7.93 0.77 8 S C S 73.93 6.79 16.84 24.72 97.69 -144.78 -83.41 -19.68 77.38 19.26 3.36 31.72 36.03 10.06 0.41 2.88 0.01 17.62 1.27 9 S E E 59.19 6.36 19.77 27.23 134.45 15.57 -143.60 149.81 35.06 60.62 4.32 23.17 10.00 4.99 0.87 3.15 0.01 56.45 1.36 10 L E E 38.62 19.48 14.11 32.70 128.33 -173.61 -132.92 139.78 19.10 79.18 1.72 15.74 3.22 1.13 0.69 0.95 0.00 76.95 1.32 11 S E E 64.44 6.64 22.57 30.38 127.21 -166.66 -123.33 142.40 16.08 82.73 1.19 13.21 2.66 1.03 0.52 0.66 0.00 80.59 1.33 12 A E E 18.32 18.63 14.29 32.72 138.72 170.64 -145.83 158.70 29.83 68.64 1.54 23.70 5.07 1.74 0.53 0.93 0.00 66.78 1.26 13 S C E 56.15 4.94 22.86 27.70 123.32 -117.07 -94.80 156.50 49.58 48.32 2.09 36.51 9.76 4.20 0.68 1.59 0.01 43.68 3.58 14 V C T 63.12 14.61 13.82 28.35 109.17 -83.56 -61.11 134.10 88.81 8.06 3.13 4.82 12.72 71.69 0.39 2.68 0.01 6.47 1.23 15 G C T 46.24 4.59 19.50 24.80 96.63 20.58 88.63 -6.58 95.38 2.20 2.42 5.29 16.13 73.77 0.22 2.37 0.00 1.86 0.36 16 D C S 63.36 8.80 17.27 27.02 124.12 111.03 -89.97 154.65 88.51 9.78 1.71 33.02 46.48 9.22 0.19 1.65 0.00 8.40 1.04 17 R C C 124.18 8.31 19.66 28.83 120.63 -118.70 -102.90 137.47 62.26 37.63 0.11 57.95 2.45 0.28 0.02 0.09 0.00 38.60 0.62 18 V E E 11.00 22.76 14.44 37.30 125.39 -165.98 -121.30 139.07 3.99 96.00 0.01 3.84 0.12 0.01 0.00 0.00 0.00 95.83 0.20 19 T E E 59.23 8.27 25.39 34.16 118.70 -150.85 -109.82 128.90 1.01 98.98 0.00 0.96 0.03 0.00 0.00 0.00 0.00 98.98 0.02 20 I E E 4.86 25.62 16.81 43.25 120.65 -166.83 -115.39 129.12 1.82 98.18 0.00 1.67 0.06 0.00 0.00 0.00 0.00 98.24 0.02 21 T E E 41.96 9.51 26.92 37.19 121.07 -165.17 -113.75 134.26 5.12 94.87 0.00 4.58 0.17 0.01 0.00 0.00 0.00 95.19 0.05 22 C E E 4.46 25.57 16.66 42.67 126.07 -172.20 -123.62 140.08 6.68 93.31 0.01 5.98 0.33 0.02 0.00 0.00 0.00 93.56 0.11 23 R E E 105.87 7.21 26.99 34.91 121.29 -162.04 -116.95 132.37 4.84 95.13 0.03 4.46 0.28 0.03 0.01 0.01 0.00 94.62 0.58 24 A E E 11.83 23.03 13.99 36.43 123.05 -163.99 -106.51 143.45 38.08 61.69 0.23 35.96 1.63 0.29 0.07 0.16 0.00 59.86 2.05 25 S C C 52.46 7.27 19.84 27.61 117.00 -138.98 -86.26 155.88 81.67 17.78 0.56 52.79 24.85 3.72 0.08 0.58 0.00 16.90 1.08 26 Q C S 120.45 5.11 17.45 23.29 103.85 -48.66 -84.23 7.71 93.04 5.76 1.20 18.60 57.04 17.69 0.11 1.15 0.00 4.58 0.82 27 S C S 65.72 6.11 17.97 25.01 113.37 40.80 -101.49 131.64 94.51 4.06 1.43 38.23 39.29 17.10 0.16 1.55 0.00 2.81 0.86 28 V C C 60.61 14.37 16.75 30.56 111.66 -111.79 -91.22 124.94 90.32 7.85 1.83 46.02 31.67 12.97 0.28 1.83 0.00 5.08 2.14 29 S C C 28.48 15.45 18.69 33.98 123.59 -163.32 -111.12 145.04 88.53 10.31 1.16 66.92 14.44 6.67 0.15 1.26 0.00 9.11 1.44 30 S C S 44.69 12.90 21.55 34.29 101.06 -159.30 -96.28 -8.64 83.63 15.97 0.40 35.31 45.26 2.62 0.04 0.38 0.00 15.70 0.67 31 A E E 25.88 13.43 24.76 38.57 130.39 50.47 -130.03 147.79 22.53 77.25 0.22 18.57 3.33 0.45 0.03 0.18 0.00 76.90 0.55 32 V E E 2.79 26.47 19.71 46.80 125.62 -165.53 -123.78 136.35 2.97 97.02 0.01 2.75 0.16 0.01 0.00 0.00 0.00 96.97 0.09 33 A E E 15.66 15.96 27.68 43.70 124.93 -165.39 -118.79 140.18 0.73 99.27 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.30 0.01 34 W E E 9.65 24.26 21.70 45.91 123.76 -154.48 -110.41 137.62 0.61 99.39 0.00 0.56 0.02 0.00 0.00 0.00 0.00 99.41 0.01 35 Y E E 28.02 15.91 23.35 39.55 132.57 -174.26 -131.30 150.60 0.72 99.28 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.30 0.04 36 Q E E 45.14 14.10 20.99 35.43 121.19 -141.84 -111.30 134.96 3.93 96.07 0.01 3.19 0.49 0.02 0.00 0.00 0.00 96.18 0.11 37 Q E E 55.83 13.54 15.03 29.21 119.41 -152.31 -103.65 135.14 31.36 68.62 0.02 28.02 2.38 0.10 0.01 0.02 0.00 68.30 1.17 38 K C C 101.69 5.80 15.05 22.24 119.35 -140.75 -93.87 144.51 98.16 1.82 0.03 96.13 2.11 0.18 0.01 0.02 0.00 1.24 0.31 39 P C T 105.34 3.59 11.05 16.66 109.50 -86.85 -58.74 134.17 99.59 0.12 0.30 0.48 3.84 95.29 0.01 0.28 0.00 0.08 0.02 40 G C T 69.30 0.27 12.63 10.26 95.95 17.64 83.14 -2.93 99.62 0.09 0.29 0.56 3.76 95.29 0.01 0.31 0.00 0.06 0.01 41 K C S 110.19 4.18 10.29 16.65 128.60 91.94 -115.37 159.49 94.43 5.18 0.39 32.15 61.09 1.33 0.08 0.31 0.00 1.86 3.19 42 A C C 76.92 2.21 16.62 18.93 116.20 -96.99 -69.55 149.28 97.16 2.81 0.04 84.20 12.99 0.21 0.01 0.03 0.00 2.14 0.42 43 P C C 46.86 17.35 10.84 27.49 114.94 -100.37 -65.45 144.48 89.13 10.83 0.04 87.27 1.90 0.16 0.00 0.03 0.00 10.28 0.35 44 K E E 98.42 7.15 20.83 28.88 124.30 -159.46 -120.53 138.32 10.82 89.10 0.08 9.42 1.26 0.12 0.03 0.05 0.00 88.25 0.87 45 L E E 65.16 15.28 17.80 32.73 110.97 -116.89 -75.21 126.93 1.40 98.59 0.01 1.23 0.08 0.01 0.00 0.00 0.00 98.62 0.06 46 L E E 24.98 17.77 20.59 38.35 101.28 176.01 -95.43 -34.26 2.61 97.37 0.02 1.60 0.82 0.04 0.00 0.01 0.00 97.51 0.02 47 I E E 17.83 19.80 21.25 40.85 134.61 6.25 -146.73 142.48 0.54 99.46 0.01 0.42 0.04 0.00 0.00 0.00 0.00 99.51 0.01 48 Y E E 57.63 17.38 21.77 38.14 127.77 -172.42 -131.30 136.85 3.54 96.41 0.05 3.01 0.28 0.04 0.02 0.01 0.00 96.50 0.13 49 S E E 22.90 15.66 20.51 36.08 117.25 -170.93 -114.16 134.52 32.99 65.13 1.88 24.01 7.71 2.12 0.90 0.98 0.00 63.49 0.77 50 A C C 37.88 13.88 17.73 31.49 105.96 -157.91 -84.32 28.09 58.49 19.21 22.30 25.88 18.51 16.53 6.35 14.38 0.13 16.19 2.03 51 S C T 70.84 6.36 18.66 25.39 100.03 25.37 -79.72 -15.30 64.47 5.73 29.80 18.83 20.28 27.14 9.27 18.88 0.14 3.79 1.67 52 S C C 57.90 7.71 18.03 26.33 116.82 46.10 -111.64 130.89 58.86 9.53 31.61 26.69 14.46 19.56 11.15 19.23 0.18 6.15 2.59 53 L C C 58.95 16.18 12.93 28.32 111.91 -142.62 -92.49 120.08 58.16 15.75 26.09 36.13 11.54 11.21 13.38 12.70 0.19 10.80 4.06 54 Y C C 121.49 8.54 15.70 25.04 112.82 -158.23 -100.62 117.70 60.72 17.57 21.71 35.70 11.84 14.08 11.56 9.81 0.28 11.72 5.02 55 S C T 76.30 5.30 15.65 22.25 110.61 -123.33 -89.45 118.80 80.23 7.98 11.79 19.15 14.64 46.76 5.88 5.55 0.07 5.52 2.43 56 G C T 51.18 4.52 17.38 22.86 101.17 9.17 85.04 0.52 92.53 3.59 3.88 20.51 23.93 48.52 0.90 2.75 0.00 2.50 0.90 57 V C C 38.75 17.02 11.36 28.06 117.68 110.17 -98.70 131.63 87.38 11.90 0.73 54.42 31.90 1.83 0.27 0.48 0.00 6.18 4.93 58 P C C 60.58 8.57 17.42 27.03 111.10 -109.09 -66.87 147.12 88.28 7.65 4.08 62.42 14.11 11.41 0.77 3.72 0.00 6.01 1.55 59 S C C 65.80 10.10 16.24 26.67 97.62 -119.88 -71.28 -2.78 83.06 10.02 6.92 43.34 22.65 17.51 0.77 6.67 0.00 7.79 1.26 60 R C C 116.28 8.57 19.86 28.71 102.99 69.23 -96.10 30.93 65.40 27.75 6.85 37.90 18.56 10.02 0.90 5.60 0.01 25.64 1.36 61 F E E 29.62 22.55 12.74 34.32 122.59 117.87 -109.93 137.21 23.34 75.91 0.75 19.66 3.58 0.87 0.26 0.47 0.00 73.70 1.46 62 S E E 57.02 5.85 23.80 30.79 133.18 -175.47 -135.20 153.10 8.41 91.43 0.16 7.41 0.81 0.17 0.06 0.08 0.00 90.88 0.58 63 G E E 23.58 18.41 14.66 31.82 141.12 169.25 -157.00 167.65 9.49 90.40 0.12 7.88 1.17 0.21 0.03 0.07 0.00 90.40 0.24 64 S E E 61.56 4.77 22.54 28.48 134.08 -150.72 -142.69 153.79 9.40 90.44 0.16 7.57 1.39 0.32 0.03 0.11 0.00 90.29 0.29 65 R E E 95.15 17.22 12.17 28.25 127.92 -159.22 -130.10 141.35 16.04 83.69 0.27 11.68 3.97 1.00 0.04 0.23 0.00 82.34 0.73 66 S E E 74.16 2.86 19.41 22.51 116.70 -173.06 -125.21 108.65 40.49 59.00 0.51 28.72 9.00 3.78 0.09 0.50 0.00 56.40 1.50 67 G C T 43.65 5.39 18.15 24.13 109.95 -53.24 63.57 -128.77 98.84 0.84 0.32 1.88 41.81 55.26 0.01 0.32 0.00 0.63 0.08 68 T C T 60.69 13.01 15.30 28.58 97.61 -13.79 -99.58 -0.79 98.84 0.89 0.26 1.63 43.26 54.08 0.01 0.26 0.00 0.69 0.07 69 D E E 57.51 9.17 21.19 31.50 121.02 86.52 -105.53 135.47 25.18 74.77 0.05 17.89 7.20 0.49 0.01 0.05 0.00 73.46 0.91 70 F E E 8.32 24.10 15.78 40.38 126.84 -169.68 -124.40 139.86 5.98 94.02 0.00 5.74 0.12 0.00 0.00 0.00 0.00 93.98 0.15 71 T E E 32.47 10.21 26.79 38.15 122.24 -162.55 -117.34 133.49 1.67 98.33 0.00 1.43 0.04 0.00 0.00 0.00 0.00 98.51 0.01 72 L E E 3.19 25.93 18.95 45.72 120.14 -163.60 -113.51 129.06 0.24 99.76 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 73 T E E 38.46 10.20 27.18 38.24 120.18 -163.93 -115.15 128.81 0.13 99.87 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 74 I E E 7.00 24.16 16.52 41.28 117.65 -164.71 -112.53 125.65 1.87 98.13 0.00 1.92 0.02 0.00 0.00 0.00 0.00 97.76 0.29 75 S C C 47.20 7.32 23.05 30.53 121.88 -161.45 -102.64 160.25 88.37 11.56 0.07 44.17 38.32 3.57 0.00 0.11 0.00 13.57 0.26 76 S C S 66.31 4.68 23.98 28.75 98.64 10.01 57.60 61.76 98.51 1.46 0.03 10.58 84.09 3.81 0.00 0.04 0.00 1.37 0.10 77 L C C 18.10 23.75 10.65 33.91 113.48 -145.00 -77.22 133.48 98.40 1.58 0.02 96.18 2.41 0.05 0.01 0.01 0.00 0.61 0.74 78 Q C C 80.45 4.56 23.81 28.30 130.29 -174.45 -126.96 155.59 99.83 0.15 0.02 99.34 0.51 0.01 0.01 0.00 0.00 0.03 0.11 79 P H G 70.84 12.40 14.90 27.63 91.08 -105.07 -58.66 -32.49 3.97 0.02 96.01 0.24 0.25 2.76 0.87 95.87 0.00 0.01 0.00 80 E H G 128.50 3.36 20.76 24.66 90.17 62.35 -70.05 -17.18 2.89 0.02 97.09 0.12 0.16 2.13 0.74 96.84 0.00 0.01 0.00 81 D H G 19.99 19.48 15.71 35.35 93.70 61.17 -86.33 -4.76 3.54 0.03 96.43 0.46 0.36 1.78 0.84 96.55 0.00 0.03 0.00 82 F C C 53.84 17.86 18.27 35.67 114.41 101.52 -80.39 132.58 86.54 8.30 5.16 77.38 7.94 1.52 0.95 4.22 0.00 6.86 1.13 83 A E E 24.77 13.72 22.63 36.20 138.44 150.40 -148.32 167.17 46.14 53.58 0.28 38.76 6.27 0.77 0.07 0.24 0.00 52.46 1.44 84 T E E 48.45 12.00 24.43 36.53 119.49 -84.78 -100.10 135.97 7.77 92.16 0.07 6.85 0.85 0.09 0.02 0.04 0.00 91.80 0.36 85 Y E E 14.07 23.83 18.53 42.12 126.85 -169.77 -121.84 140.58 1.59 98.39 0.02 1.45 0.11 0.02 0.01 0.01 0.00 98.30 0.11 86 Y E E 50.83 13.89 26.56 40.57 128.21 -166.97 -124.41 144.07 3.38 96.57 0.05 2.91 0.24 0.03 0.01 0.02 0.00 96.67 0.11 87 C E E 7.45 23.88 19.48 43.24 122.04 -157.36 -112.21 133.69 13.22 86.56 0.22 11.02 1.57 0.27 0.05 0.12 0.00 86.64 0.33 88 Q E E 56.81 12.21 24.46 36.58 128.19 -173.67 -125.36 143.34 14.30 85.24 0.46 12.32 1.53 0.45 0.14 0.24 0.00 84.54 0.77 89 Q E E 62.58 16.00 17.66 32.95 118.49 -146.59 -101.07 138.51 26.77 72.27 0.96 22.13 4.02 1.33 0.34 0.64 0.00 69.97 1.59 90 G C E 27.38 10.80 16.44 27.84 125.62 -174.26 -120.44 162.08 53.79 44.62 1.59 37.13 13.58 4.54 0.34 1.33 0.00 41.10 1.96 91 S C C 71.85 6.26 13.83 21.45 108.33 -129.14 -95.79 39.14 73.00 23.05 3.96 31.83 26.37 16.62 0.60 3.25 0.01 19.23 2.08 92 S C S 80.34 3.68 13.50 18.34 106.33 78.57 -90.15 34.19 84.01 11.00 4.99 25.21 34.51 25.38 0.68 4.14 0.01 8.16 1.90 93 L C S 110.81 4.79 12.15 18.29 105.68 49.71 -94.51 40.61 85.11 9.30 5.59 28.93 35.37 21.86 0.90 4.53 0.01 6.04 2.37 94 G C C 41.93 4.56 14.82 20.43 122.84 -88.74 94.92 -175.74 87.88 9.09 3.03 38.05 34.24 16.20 0.44 2.70 0.00 7.02 1.34 95 L C C 101.65 6.41 14.49 22.20 117.02 -45.80 -88.72 137.63 72.95 24.61 2.44 49.27 14.79 8.47 0.46 2.08 0.00 23.39 1.54 96 L E E 57.43 14.07 13.67 28.20 122.11 -156.82 -109.97 136.22 44.70 54.09 1.20 37.81 5.17 1.55 0.38 0.84 0.00 51.93 2.33 97 T E E 70.81 8.69 19.34 28.88 122.94 -159.39 -114.85 135.37 24.81 74.40 0.79 21.02 2.98 0.78 0.47 0.44 0.00 70.10 4.21 98 F E E 60.68 16.88 14.37 30.70 119.68 -165.50 -108.54 138.61 34.27 64.63 1.10 25.76 7.27 2.41 0.57 0.75 0.01 58.73 4.50 99 G C C 27.05 9.99 16.77 27.18 124.99 -134.27 -97.07 -167.18 77.77 20.79 1.45 51.00 18.95 7.68 0.28 1.29 0.00 19.13 1.66 100 Q C T 124.73 4.83 16.99 22.72 106.80 -60.75 -72.72 122.96 83.78 12.09 4.12 18.07 22.58 43.72 0.65 3.35 0.01 9.79 1.83 101 G C T 42.71 7.63 15.15 23.44 102.70 10.93 84.16 -1.53 84.09 12.36 3.55 22.43 19.88 42.25 0.43 3.12 0.00 10.78 1.11 102 T C C 54.25 12.99 11.76 24.94 116.82 124.41 -90.55 136.86 66.57 31.11 2.32 54.17 7.95 3.69 0.56 1.93 0.00 28.70 2.99 103 K E E 136.67 3.83 16.93 22.31 118.32 -151.06 -105.51 132.49 37.76 61.64 0.60 33.19 1.68 0.55 0.39 0.30 0.00 44.07 19.82 104 V C C 55.06 16.57 13.54 29.47 114.19 -146.81 -95.70 126.05 98.80 1.20 0.01 98.95 0.07 0.01 0.00 0.00 0.00 0.92 0.04