# 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 T C C 69.48 9.27 17.68 27.29 113.81 135.62 -104.68 122.80 99.73 0.27 0.00 99.63 0.15 0.02 0.00 0.00 0.00 0.19 0.01 1 K E E 98.98 9.57 18.74 28.70 125.58 -155.87 -117.29 141.93 39.88 60.04 0.08 38.47 1.03 0.17 0.02 0.05 0.00 58.80 1.47 2 A E E 11.12 20.69 14.68 35.30 125.97 -159.50 -118.20 142.60 14.26 85.71 0.03 13.38 0.70 0.05 0.01 0.02 0.00 85.51 0.34 3 R E E 94.30 9.14 24.21 33.66 120.61 -154.52 -114.03 130.53 4.36 95.63 0.01 4.12 0.19 0.01 0.00 0.00 0.00 95.58 0.09 4 I E E 6.85 24.72 16.98 42.19 119.77 -162.57 -113.79 127.80 1.84 98.15 0.00 1.90 0.04 0.00 0.00 0.00 0.00 98.03 0.03 5 R E E 86.82 9.74 26.61 36.62 117.95 -162.50 -110.99 125.98 1.25 98.74 0.00 1.24 0.03 0.00 0.00 0.00 0.00 98.70 0.03 6 L E E 4.73 25.61 17.72 43.92 122.03 -168.60 -115.77 133.39 2.37 97.63 0.01 2.40 0.04 0.00 0.00 0.00 0.00 97.48 0.07 7 W E E 91.46 10.37 26.16 36.78 128.36 -173.21 -126.33 143.02 7.06 92.92 0.02 6.73 0.27 0.02 0.01 0.01 0.00 92.65 0.31 8 S E E 10.57 19.92 15.71 35.84 140.25 160.88 -152.83 160.87 36.80 63.16 0.04 35.12 1.23 0.09 0.01 0.03 0.00 62.33 1.20 9 S C S 69.20 6.58 20.28 27.77 95.19 -134.00 -88.27 -12.80 99.53 0.45 0.02 3.74 95.47 0.48 0.00 0.01 0.00 0.27 0.04 10 N C C 74.32 6.24 19.26 26.57 110.26 79.40 -102.59 108.88 99.45 0.45 0.09 61.66 37.63 0.25 0.05 0.03 0.00 0.14 0.25 11 I H H 71.00 14.11 13.45 27.85 93.57 -166.28 -63.46 -36.68 3.40 0.01 96.59 0.51 0.52 2.16 95.53 1.26 0.00 0.00 0.00 12 D H H 108.88 1.31 20.87 20.68 91.99 54.01 -64.46 -40.04 2.37 0.01 97.62 0.18 0.19 1.89 96.35 1.38 0.01 0.00 0.00 13 S H H 36.73 8.52 18.46 28.24 92.27 48.72 -66.09 -39.65 1.49 0.01 98.50 0.25 0.12 0.98 97.00 1.64 0.00 0.00 0.00 14 L H H 5.68 24.21 13.43 37.68 91.42 52.14 -63.71 -42.56 0.45 0.00 99.55 0.09 0.04 0.23 99.40 0.24 0.00 0.00 0.00 15 N H H 75.75 8.27 21.98 30.55 91.53 51.62 -63.26 -40.81 0.23 0.00 99.77 0.04 0.01 0.12 99.80 0.03 0.00 0.00 0.00 16 F H H 115.01 2.48 25.11 26.24 91.54 49.95 -64.36 -42.21 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 17 V H H 10.97 19.06 20.58 39.71 91.52 49.11 -64.14 -43.68 0.12 0.00 99.88 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 18 V H H 8.67 22.09 19.51 41.37 91.24 50.31 -62.65 -43.14 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 19 N H H 82.88 3.58 25.45 28.59 91.40 50.88 -63.69 -41.72 0.09 0.00 99.91 0.00 0.00 0.07 99.92 0.01 0.00 0.00 0.00 20 Q H H 68.09 7.96 23.72 32.09 91.60 50.07 -64.51 -41.98 0.14 0.00 99.86 0.00 0.00 0.12 99.85 0.02 0.00 0.00 0.00 21 I H H 2.73 26.08 18.39 44.78 91.54 49.62 -63.85 -43.16 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 22 R H H 84.27 14.73 21.62 35.24 91.31 51.69 -61.87 -42.57 0.10 0.00 99.90 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 23 N H H 90.13 1.99 25.47 25.45 91.56 49.88 -63.81 -41.76 0.27 0.00 99.73 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 24 M H H 28.79 12.92 20.01 33.97 91.83 49.62 -64.35 -42.51 0.45 0.00 99.54 0.03 0.02 0.31 99.58 0.06 0.00 0.00 0.00 25 A H H 4.91 22.46 13.43 36.09 91.47 51.08 -63.58 -42.28 0.73 0.00 99.26 0.09 0.05 0.46 99.25 0.15 0.00 0.00 0.00 26 Q H H 121.86 3.31 18.68 23.00 91.65 50.56 -63.78 -39.62 1.80 0.01 98.19 0.21 0.10 1.37 97.56 0.75 0.00 0.00 0.00 27 K H H 145.20 1.96 18.14 20.02 91.34 52.88 -66.68 -29.02 6.51 0.01 93.48 0.22 0.29 6.00 92.82 0.65 0.01 0.00 0.01 28 T H H 45.99 12.80 13.14 26.55 95.39 47.86 -91.97 -1.07 30.38 0.06 69.56 0.80 1.99 27.25 68.88 0.98 0.03 0.01 0.05 29 G C T 57.28 1.44 20.59 20.77 95.19 -107.91 82.82 13.85 99.83 0.05 0.12 13.95 4.10 81.83 0.04 0.04 0.00 0.03 0.01 30 I C C 24.64 20.74 9.14 28.95 118.58 141.49 -94.06 137.15 97.82 2.16 0.02 95.86 1.97 0.08 0.01 0.01 0.00 1.96 0.11 31 Q C C 128.73 1.98 23.35 24.52 110.73 -127.83 -87.02 120.97 54.48 45.47 0.04 53.83 0.75 0.09 0.01 0.02 0.00 44.55 0.74 32 V E E 31.70 22.62 9.90 30.88 122.69 -170.86 -111.99 136.19 16.50 83.44 0.06 15.98 0.47 0.05 0.03 0.03 0.00 76.33 7.10 33 S E E 70.61 3.95 20.39 24.84 118.94 -167.39 -113.97 144.77 31.26 68.69 0.05 26.07 4.83 0.32 0.01 0.04 0.00 67.06 1.66 34 G C E 33.06 4.83 20.40 25.87 134.24 -19.27 119.07 -176.26 56.22 43.77 0.01 24.88 30.74 0.40 0.00 0.02 0.00 43.63 0.33 35 P C C 60.56 14.66 14.90 29.15 115.84 -58.32 -70.69 145.12 62.77 37.21 0.02 55.12 5.93 0.13 0.00 0.02 0.00 38.15 0.64 36 I E E 48.66 13.15 16.54 30.78 118.84 -155.50 -115.39 125.42 17.12 82.87 0.01 15.71 0.95 0.02 0.01 0.01 0.00 74.67 8.63 37 P E E 80.62 6.37 20.57 27.79 114.70 -116.39 -68.20 143.13 31.03 68.96 0.01 30.77 0.71 0.02 0.00 0.01 0.00 65.60 2.88 38 L C C 38.83 19.87 11.47 30.44 117.19 -121.75 -83.26 140.25 91.83 8.16 0.01 90.40 2.13 0.03 0.00 0.01 0.00 6.98 0.45 39 P C C 65.97 6.52 18.64 25.97 114.61 -101.97 -66.79 150.07 95.11 4.87 0.03 90.59 4.46 0.16 0.00 0.02 0.00 4.44 0.32 40 T C C 73.57 11.27 13.12 24.70 114.48 -143.27 -100.56 132.94 53.90 46.03 0.07 46.40 6.35 0.23 0.01 0.07 0.00 45.45 1.49 41 T E E 70.78 6.48 15.63 23.46 121.77 -139.50 -106.90 142.02 15.16 84.81 0.03 12.81 1.82 0.08 0.00 0.02 0.00 84.92 0.35 42 R E E 130.84 8.19 13.76 23.58 121.84 -154.47 -112.88 134.83 2.71 97.28 0.01 2.47 0.13 0.01 0.00 0.00 0.00 97.33 0.06 43 M E E 66.13 10.74 13.74 25.80 123.67 -162.20 -113.04 139.85 0.75 99.25 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.26 0.02 44 E E E 106.72 6.45 16.60 24.55 118.36 -152.04 -108.65 128.70 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.01 45 V E E 38.06 13.40 13.10 27.70 117.79 -166.02 -116.10 123.32 1.98 98.02 0.00 1.84 0.03 0.00 0.00 0.00 0.00 98.11 0.02 46 P E E 62.45 6.26 17.63 25.11 114.61 -129.17 -71.64 142.12 4.32 95.68 0.01 3.99 0.12 0.01 0.00 0.00 0.00 95.82 0.05 47 V E E 47.63 13.28 13.33 27.34 123.71 -165.97 -119.22 137.09 6.06 93.88 0.07 5.50 0.48 0.07 0.02 0.03 0.00 93.37 0.53 48 M E E 86.41 7.77 14.45 23.68 118.08 -142.30 -101.18 134.79 13.22 86.68 0.11 11.53 1.59 0.20 0.03 0.07 0.00 85.69 0.90 49 R E E 131.61 5.88 14.01 21.51 117.50 -150.45 -100.83 136.21 41.84 57.94 0.22 35.21 6.08 0.58 0.07 0.18 0.00 55.82 2.06 50 L C C 63.60 8.23 9.65 19.70 115.08 -119.52 -86.13 136.89 87.82 11.91 0.26 80.77 5.74 0.79 0.06 0.22 0.00 11.31 1.12 51 P C T 96.09 3.26 11.67 16.52 94.90 -138.15 -67.06 -22.89 92.81 2.25 4.94 14.28 32.27 46.04 0.41 4.87 0.00 1.61 0.51 52 H C T 137.18 2.34 10.56 13.80 102.14 46.89 -96.19 7.22 90.93 2.32 6.75 7.99 31.98 51.07 0.66 5.99 0.00 1.31 1.01 53 G C S 52.74 2.64 9.89 14.07 103.14 -92.03 82.63 0.16 87.20 2.64 10.16 16.97 40.90 29.18 1.00 9.34 0.00 1.34 1.26 54 E C T 138.51 1.98 10.17 13.29 102.59 97.84 -87.81 15.78 86.48 2.87 10.65 22.45 25.18 38.83 1.36 9.40 0.00 1.53 1.24 55 G C T 50.91 3.22 10.10 14.76 103.54 -58.68 78.42 1.91 84.16 5.64 10.20 28.75 26.18 29.83 1.25 8.99 0.01 3.13 1.86 56 K C C 132.13 2.87 10.93 15.31 112.55 122.78 -90.98 130.95 83.53 8.97 7.50 43.65 28.99 11.53 1.18 6.52 0.01 6.23 1.90 57 K C C 139.79 3.77 11.34 16.94 111.25 -115.99 -86.25 122.32 76.15 20.12 3.74 50.77 18.90 6.30 0.62 3.26 0.00 18.69 1.47 58 K E E 107.69 5.49 12.07 19.28 124.40 162.85 -116.99 144.49 47.46 51.86 0.68 39.68 6.21 1.23 0.15 0.53 0.00 51.04 1.17 59 W E E 127.15 8.54 11.01 21.00 120.48 -139.60 -104.17 138.54 15.42 84.50 0.07 14.24 0.84 0.12 0.02 0.04 0.00 84.12 0.62 60 E E E 89.53 7.32 13.67 22.64 122.33 -164.43 -115.23 139.97 4.54 95.45 0.01 4.04 0.28 0.02 0.00 0.01 0.00 95.52 0.13 61 H E E 111.51 6.38 14.18 22.23 118.81 -138.18 -105.42 133.46 3.77 96.23 0.00 3.44 0.13 0.01 0.00 0.00 0.00 96.36 0.06 62 W E E 75.74 12.16 12.06 25.41 126.70 -170.80 -122.65 148.13 5.53 94.46 0.00 5.32 0.06 0.00 0.00 0.00 0.00 94.56 0.05 63 E E E 100.45 5.78 17.02 24.11 121.41 -144.62 -110.36 136.12 2.26 97.74 0.00 2.07 0.06 0.00 0.00 0.00 0.00 97.82 0.04 64 M E E 58.34 14.42 13.11 27.81 125.69 -169.09 -120.48 141.40 2.55 97.45 0.00 2.31 0.09 0.00 0.00 0.00 0.00 97.56 0.03 65 K E E 87.87 8.16 17.83 27.15 119.13 -148.34 -105.50 131.44 2.02 97.98 0.00 1.82 0.07 0.00 0.00 0.00 0.00 98.08 0.03 66 V E E 47.22 13.01 16.12 30.09 119.60 -161.02 -111.91 128.53 2.37 97.62 0.00 2.16 0.09 0.00 0.00 0.00 0.00 97.70 0.05 67 H E E 52.39 12.20 17.28 30.68 122.74 -169.46 -116.19 137.46 3.30 96.70 0.00 2.98 0.14 0.01 0.00 0.00 0.00 96.80 0.07 68 K E E 91.78 10.99 18.88 30.27 124.84 -166.20 -117.74 139.88 6.27 93.72 0.00 5.72 0.25 0.01 0.00 0.00 0.00 93.95 0.07 69 R E E 53.91 16.14 17.01 33.15 126.53 -169.15 -122.52 140.41 3.80 96.20 0.00 3.57 0.11 0.00 0.00 0.00 0.00 96.27 0.05 70 I E E 56.78 10.45 21.76 32.99 118.36 -151.81 -109.34 127.44 1.09 98.91 0.00 1.01 0.03 0.00 0.00 0.00 0.00 98.93 0.02 71 I E E 11.81 22.06 16.77 39.17 120.80 -167.11 -115.19 129.89 0.37 99.63 0.00 0.35 0.00 0.00 0.00 0.00 0.00 99.63 0.01 72 D E E 61.65 8.16 24.89 33.51 115.39 -157.27 -104.73 123.95 1.01 98.98 0.00 0.96 0.02 0.00 0.00 0.00 0.00 98.98 0.03 73 I E E 11.02 23.44 14.88 38.44 124.78 -173.30 -122.70 135.72 17.50 82.36 0.14 16.66 0.72 0.14 0.05 0.07 0.00 81.86 0.50 74 A C C 59.48 5.20 24.98 30.17 113.36 -145.34 -95.20 125.99 57.45 42.34 0.21 47.55 7.61 0.73 0.05 0.15 0.00 43.17 0.74 75 A C C 21.05 21.15 11.84 31.58 128.78 153.08 -116.10 149.26 85.34 14.21 0.45 71.93 12.62 0.72 0.23 0.24 0.00 12.81 1.46 76 D C C 70.90 5.14 19.37 24.75 120.27 -123.55 -87.04 159.03 97.27 2.21 0.52 96.28 1.29 0.19 0.38 0.06 0.00 1.30 0.50 77 E H H 124.92 4.52 14.65 20.86 91.86 -107.61 -59.73 -35.54 2.84 0.01 97.15 0.40 0.37 1.80 96.90 0.53 0.00 0.00 0.00 78 R H H 143.71 2.15 18.46 20.29 91.87 53.49 -64.84 -40.13 1.46 0.00 98.54 0.14 0.11 1.08 98.09 0.57 0.00 0.00 0.00 79 V H H 17.93 16.40 14.44 31.51 92.10 49.53 -65.14 -42.14 0.45 0.00 99.55 0.07 0.03 0.29 99.05 0.56 0.00 0.00 0.00 80 M H H 39.81 15.70 15.35 31.24 91.61 51.70 -62.92 -41.94 0.15 0.00 99.85 0.02 0.01 0.09 99.62 0.26 0.00 0.00 0.00 81 R H H 128.87 2.53 20.65 22.60 91.67 50.66 -64.11 -40.57 0.24 0.00 99.76 0.02 0.01 0.17 99.33 0.47 0.00 0.00 0.00 82 Q H H 71.90 7.52 18.56 27.11 91.82 50.90 -64.87 -40.67 0.51 0.00 99.48 0.03 0.02 0.40 98.70 0.85 0.00 0.00 0.00 83 L H H 16.26 21.82 13.60 35.08 91.86 52.15 -65.11 -37.97 1.53 0.00 98.46 0.06 0.05 1.32 96.66 1.90 0.00 0.00 0.00 84 M H H 89.80 9.84 16.81 27.33 91.02 57.33 -69.09 -22.09 26.63 0.04 73.33 0.53 0.67 26.16 69.96 2.62 0.03 0.02 0.03 85 R C T 165.62 1.70 19.14 20.19 94.07 56.74 -85.79 -8.65 64.93 0.14 34.93 1.72 1.88 59.91 33.61 2.73 0.01 0.06 0.09 86 V C C 37.78 17.35 9.64 26.56 115.53 104.55 -77.17 135.24 96.24 1.92 1.84 67.36 26.84 2.02 1.60 0.40 0.00 0.74 1.04 87 R C C 172.43 1.86 20.73 22.29 111.77 -138.15 -90.17 120.03 94.07 5.61 0.33 93.05 1.26 0.37 0.20 0.09 0.00 2.34 2.70 88 V C C 32.76 21.42 9.68 29.42 120.75 -168.65 -103.14 136.40 97.73 2.25 0.02 94.94 3.15 0.04 0.01 0.01 0.00 0.88 0.98 89 P C C 47.02 8.22 15.49 25.57 115.69 -106.00 -64.76 152.33 99.47 0.47 0.05 98.80 0.64 0.17 0.01 0.02 0.00 0.17 0.18 90 D C T 119.24 2.18 16.39 19.15 98.31 -99.55 -65.63 -15.88 99.25 0.35 0.40 1.26 11.93 86.14 0.04 0.31 0.00 0.22 0.10 91 D C T 96.29 4.82 16.97 22.74 94.71 43.90 -58.73 7.77 98.34 1.33 0.34 3.03 9.49 85.79 0.02 0.34 0.00 1.23 0.10 92 V E E 18.19 20.56 10.46 30.66 121.06 106.03 -106.73 134.51 48.49 51.44 0.07 41.60 6.06 0.27 0.01 0.07 0.00 50.98 1.02 93 Y E E 115.88 5.51 23.47 29.31 121.91 -162.75 -116.83 135.02 13.90 86.08 0.02 12.98 0.39 0.05 0.01 0.01 0.00 86.39 0.18 94 I E E 25.66 22.95 13.25 35.67 122.38 -164.33 -120.64 131.18 7.36 92.63 0.00 7.09 0.06 0.00 0.00 0.00 0.00 92.81 0.03 95 E E E 85.94 5.73 24.67 30.68 122.46 -168.69 -116.99 133.55 4.09 95.91 0.00 4.06 0.03 0.00 0.00 0.00 0.00 95.88 0.02 96 I E E 32.04 21.66 13.00 33.99 121.78 -163.39 -117.62 130.29 3.70 96.30 0.00 3.83 0.02 0.00 0.00 0.00 0.00 96.12 0.03 97 E E E 95.78 4.82 21.18 26.63 121.99 -169.78 -119.17 134.56 3.89 96.10 0.00 3.98 0.04 0.00 0.00 0.00 0.00 95.90 0.07 98 L E E 70.75 13.23 11.74 25.36 114.81 -136.04 -91.75 127.95 12.64 87.33 0.02 13.16 0.08 0.01 0.01 0.01 0.00 86.38 0.36 99 I C C 80.17 7.72 15.86 24.71 113.65 -169.59 -105.44 122.72 98.11 1.89 0.00 98.17 0.06 0.01 0.00 0.00 0.00 1.74 0.02