# 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 108.59 6.34 12.03 19.78 112.87 -156.51 -94.10 128.68 99.93 0.05 0.02 99.72 0.18 0.06 0.01 0.00 0.00 0.02 0.01 1 H C C 134.72 3.95 10.25 16.04 107.93 -146.77 -85.99 113.90 95.02 1.39 3.59 82.41 2.17 11.10 1.01 1.88 0.00 0.78 0.65 2 H C C 139.25 3.20 10.86 15.84 112.06 -158.41 -94.91 121.88 92.60 3.01 4.38 55.32 17.81 19.51 0.99 3.41 0.00 1.62 1.35 3 G C C 38.92 7.42 11.98 20.61 119.78 -144.05 -101.21 166.19 90.50 4.20 5.30 57.94 22.14 10.47 1.38 3.94 0.00 2.36 1.77 4 V C C 74.68 10.49 11.53 22.67 114.32 -104.06 -87.32 133.98 85.29 7.91 6.80 65.00 12.25 7.69 2.64 4.22 0.00 4.82 3.38 5 T C C 86.92 5.82 15.07 22.19 105.73 -156.31 -93.22 9.09 84.18 9.25 6.57 53.31 22.17 8.89 2.72 3.93 0.00 5.97 3.01 6 K C C 123.91 5.19 16.38 22.96 115.08 28.65 -106.94 132.38 81.95 11.03 7.02 47.72 27.77 6.87 3.48 3.60 0.01 6.83 3.72 7 C C C 45.82 15.26 11.36 26.24 112.60 -126.89 -80.75 134.86 84.08 8.50 7.41 71.27 7.63 5.03 3.44 3.88 0.00 5.76 2.99 8 N C C 98.23 6.24 17.44 24.55 99.65 -157.76 -84.19 -9.98 79.63 7.48 12.89 35.61 27.73 17.55 5.13 7.08 0.04 4.59 2.28 9 I C S 84.25 9.10 17.52 27.08 104.99 60.97 -97.33 1.22 71.49 14.90 13.61 22.58 29.09 22.17 5.40 7.01 0.21 9.79 3.75 10 T C C 43.67 14.11 16.62 30.74 109.90 78.87 -96.98 84.81 65.83 21.55 12.63 34.26 18.09 14.65 5.57 6.85 0.29 13.77 6.52 11 C C C 27.11 17.56 12.99 30.31 115.92 35.24 -101.82 125.82 72.22 20.57 7.21 52.51 11.10 7.96 3.13 4.18 0.02 13.64 7.46 12 S C C 71.05 5.79 18.32 25.01 100.20 -164.19 -89.36 -16.21 79.57 15.65 4.78 41.15 26.06 13.04 1.68 3.04 0.01 12.07 2.94 13 K C C 125.70 3.92 19.22 24.01 122.73 36.21 -120.91 139.35 76.42 18.92 4.66 42.44 22.13 12.44 1.59 3.07 0.02 15.16 3.16 14 M C C 75.93 16.16 11.99 27.17 118.90 -162.30 -110.43 130.36 75.40 22.22 2.37 63.41 7.79 2.77 1.12 1.39 0.00 15.75 7.77 15 T C C 68.86 7.89 15.64 24.74 123.39 -170.98 -117.98 143.59 83.62 15.35 1.03 73.34 8.14 1.97 0.41 0.64 0.00 10.59 4.91 16 S C C 67.75 7.28 16.22 24.57 110.39 -147.82 -95.23 89.42 92.15 7.49 0.35 69.56 21.35 1.45 0.10 0.27 0.00 6.03 1.26 17 K C C 124.49 5.80 19.28 26.23 119.14 -41.57 -99.45 136.86 93.68 6.17 0.15 86.49 7.10 0.42 0.05 0.09 0.00 4.14 1.69 18 I C C 14.89 23.13 11.07 33.86 116.63 -140.11 -97.97 128.13 96.04 3.94 0.03 95.18 1.55 0.04 0.01 0.01 0.00 2.16 1.05 19 P C C 57.18 5.06 22.19 27.68 110.43 -114.65 -66.63 134.63 94.55 5.35 0.10 95.59 0.30 0.05 0.03 0.03 0.00 3.04 0.97 20 V H G 63.03 16.18 12.95 28.58 92.42 -134.24 -60.51 -33.18 5.95 0.18 93.87 1.04 0.77 3.51 1.24 93.25 0.00 0.17 0.01 21 A H G 80.78 2.43 20.43 23.15 90.21 65.65 -66.72 -20.10 5.43 0.16 94.41 0.47 0.57 3.86 0.93 94.02 0.00 0.14 0.01 22 L H G 42.29 14.17 16.25 31.06 93.77 56.79 -87.34 -8.66 5.53 0.35 94.12 0.57 0.70 3.63 0.82 93.95 0.00 0.33 0.01 23 L E E 13.01 23.83 11.50 35.15 111.23 99.44 -83.18 120.24 7.19 91.90 0.91 6.51 0.83 0.18 0.24 0.62 0.00 89.81 1.80 24 I E E 85.59 5.90 21.54 28.17 100.61 175.11 -95.93 -32.04 8.24 91.63 0.13 5.21 2.70 0.55 0.03 0.08 0.00 91.26 0.17 25 H E E 80.37 5.66 24.25 30.73 142.41 -3.38 -158.84 157.36 6.34 93.55 0.11 3.74 1.87 0.56 0.02 0.07 0.00 93.67 0.07 26 Y E E 51.45 22.87 12.24 33.80 132.12 -164.28 -140.05 143.21 7.45 92.50 0.05 6.76 0.32 0.04 0.02 0.02 0.00 92.76 0.09 27 Q E E 85.03 5.54 23.39 29.76 130.85 -175.92 -137.21 145.56 2.28 97.69 0.03 2.10 0.13 0.02 0.02 0.01 0.00 97.41 0.30 28 Q E E 90.03 12.05 15.93 28.11 113.92 -112.56 -77.91 133.26 13.45 86.45 0.09 12.67 0.79 0.12 0.04 0.04 0.00 85.72 0.62 29 N C C 61.40 12.12 12.72 25.30 110.41 -154.66 -91.87 125.79 81.07 18.64 0.30 69.15 9.85 0.98 0.06 0.26 0.00 18.87 0.83 30 Q C C 106.72 4.96 14.24 20.55 116.16 -98.72 -104.42 130.87 92.24 6.84 0.93 71.90 17.17 3.07 0.16 0.97 0.00 4.88 1.84 31 A C T 84.46 3.42 12.23 17.25 98.40 -134.26 -71.73 -17.49 91.36 1.65 6.99 8.72 23.60 57.96 0.37 7.77 0.00 1.04 0.55 32 S C T 85.55 2.33 12.77 15.99 99.95 58.86 -88.02 -0.85 91.48 1.81 6.71 10.98 21.52 57.85 0.44 7.46 0.00 1.16 0.60 33 C C C 40.28 13.53 8.12 21.43 113.49 88.97 -93.18 124.58 87.09 7.29 5.61 53.01 25.41 8.03 0.88 5.07 0.00 2.83 4.77 34 G C S 57.24 1.94 16.71 18.49 95.94 -145.05 -66.84 -11.04 95.93 2.39 1.68 25.05 56.19 14.68 0.19 1.67 0.00 1.41 0.80 35 K C S 95.88 7.59 15.12 24.00 124.94 68.32 -108.00 148.79 94.51 4.23 1.26 9.80 75.24 9.81 0.13 1.04 0.00 3.11 0.87 36 R C C 124.81 8.13 19.53 28.22 111.13 -108.22 -76.65 128.84 86.15 12.70 1.15 65.54 15.19 4.75 0.14 1.26 0.00 12.15 0.97 37 A E E 8.16 19.48 17.69 37.41 137.27 168.37 -142.49 162.02 37.81 62.13 0.07 31.21 4.91 0.35 0.01 0.06 0.00 62.96 0.50 38 I E E 10.09 19.76 22.69 42.92 120.86 -128.14 -110.30 134.09 1.15 98.85 0.00 1.08 0.07 0.00 0.00 0.00 0.00 98.82 0.04 39 I E E 14.63 17.53 24.59 42.68 117.61 -152.21 -106.04 126.47 0.13 99.87 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 40 L E E 6.12 22.42 20.15 42.95 124.89 -169.61 -118.15 140.07 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 41 E E E 42.46 10.64 23.44 35.40 118.48 -148.87 -108.52 128.55 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 42 T E E 11.22 17.97 13.59 32.33 124.76 -147.77 -90.09 171.03 19.67 80.27 0.06 18.64 0.51 0.11 0.01 0.04 0.00 80.31 0.38 43 R C T 135.77 7.32 15.84 24.20 92.42 -95.45 -64.34 -25.01 97.64 0.59 1.77 0.51 3.69 93.55 0.04 1.69 0.00 0.43 0.08 44 Q C T 111.92 3.58 14.81 19.25 94.81 52.85 -88.36 5.77 97.85 0.11 2.04 0.54 3.33 94.05 0.07 1.92 0.00 0.06 0.04 45 H C S 142.12 3.82 14.90 20.27 94.00 -108.41 66.61 25.24 97.51 0.74 1.74 29.59 41.17 26.46 0.15 1.94 0.00 0.45 0.24 46 R C C 98.93 8.16 15.90 25.49 118.66 148.10 -88.44 140.10 81.18 18.76 0.06 79.99 0.99 0.18 0.01 0.03 0.00 18.33 0.47 47 L E E 65.03 13.24 19.34 32.70 116.88 -132.55 -94.07 131.08 1.27 98.73 0.00 1.29 0.03 0.00 0.00 0.00 0.00 98.57 0.11 48 F E E 18.58 19.76 21.39 40.91 132.04 -176.23 -132.06 149.94 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 49 C E E 14.00 19.72 24.12 43.43 123.06 -143.10 -112.89 138.02 0.61 99.39 0.00 0.53 0.03 0.00 0.00 0.00 0.00 99.43 0.02 50 A E E 5.81 22.72 19.61 42.17 126.74 -145.62 -103.44 154.44 13.91 86.09 0.00 13.38 0.82 0.02 0.00 0.00 0.00 84.03 1.74 51 D C C 41.82 10.62 23.55 35.08 107.15 -109.94 -79.03 117.99 99.09 0.91 0.01 98.88 0.41 0.02 0.00 0.00 0.00 0.62 0.07 52 P C T 37.40 17.49 14.12 32.12 91.85 -154.75 -67.19 -16.46 99.62 0.06 0.32 1.24 2.47 95.99 0.01 0.26 0.00 0.02 0.02 53 K C T 151.68 1.88 19.83 21.65 92.11 64.24 -83.68 -9.55 99.63 0.03 0.34 0.92 3.00 95.76 0.01 0.29 0.00 0.01 0.01 54 E C S 56.49 12.37 10.79 24.43 114.15 101.95 -74.99 133.17 99.17 0.48 0.35 33.15 65.70 0.29 0.20 0.08 0.00 0.08 0.51 55 Q H H 129.53 2.01 18.90 21.06 92.12 -131.16 -60.41 -38.33 8.54 0.01 91.45 0.40 1.89 6.08 91.16 0.44 0.01 0.00 0.01 56 W H H 72.39 11.95 17.30 30.07 91.83 54.27 -64.54 -38.69 3.47 0.00 96.52 0.18 0.30 3.17 95.82 0.52 0.01 0.00 0.00 57 V H H 7.18 22.16 14.21 36.51 92.03 49.71 -65.00 -42.46 0.50 0.00 99.50 0.07 0.04 0.35 99.22 0.32 0.00 0.00 0.00 58 K H H 99.72 5.67 21.41 27.62 91.39 51.10 -63.05 -41.82 0.21 0.00 99.79 0.04 0.01 0.14 99.65 0.16 0.00 0.00 0.00 59 D H H 75.35 3.42 23.69 26.43 91.68 49.10 -64.57 -41.24 0.66 0.00 99.34 0.05 0.04 0.62 99.10 0.19 0.00 0.00 0.00 60 A H H 7.87 18.26 18.05 37.01 91.68 50.20 -63.42 -42.96 0.82 0.00 99.18 0.05 0.07 0.77 98.94 0.17 0.00 0.00 0.00 61 M H H 37.95 15.34 19.51 34.85 91.61 50.85 -63.38 -41.79 0.23 0.00 99.77 0.04 0.01 0.15 99.75 0.05 0.00 0.00 0.00 62 Q H H 98.92 2.42 23.53 24.68 91.55 50.95 -63.79 -41.95 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.05 0.00 0.00 0.00 63 H H H 68.83 8.09 20.19 29.16 92.11 49.64 -64.75 -41.86 0.30 0.00 99.70 0.04 0.02 0.20 99.69 0.06 0.00 0.00 0.00 64 L H H 20.35 18.19 15.77 34.14 91.82 50.12 -64.47 -41.93 0.45 0.00 99.55 0.07 0.03 0.28 99.56 0.08 0.00 0.00 0.00 65 D H H 77.07 5.17 19.85 25.58 91.76 50.39 -64.22 -39.76 1.89 0.00 98.11 0.30 0.11 1.20 98.23 0.16 0.00 0.00 0.00 66 R H H 139.28 2.22 19.81 21.39 92.37 49.79 -65.92 -39.91 4.09 0.02 95.89 0.67 0.34 2.68 95.92 0.36 0.00 0.01 0.00 67 Q H H 71.50 9.29 16.39 26.59 92.51 50.52 -66.48 -39.64 6.10 0.05 93.85 1.73 0.77 3.23 93.61 0.62 0.01 0.02 0.02 68 A H H 42.75 8.87 15.15 25.20 92.50 53.30 -64.91 -39.48 9.96 0.12 89.91 3.63 1.37 4.79 88.78 1.31 0.01 0.06 0.05 69 A H H 62.53 2.73 17.00 19.88 92.86 52.38 -66.18 -38.37 15.41 0.23 84.36 5.61 2.18 7.66 82.10 2.21 0.02 0.11 0.10 70 A H H 57.35 4.30 14.99 20.48 93.51 52.99 -67.87 -35.88 22.50 0.51 76.99 9.91 3.58 9.53 73.58 2.92 0.03 0.26 0.20 71 L H H 79.62 8.04 12.69 21.93 95.23 55.19 -71.79 -29.91 32.83 1.33 65.85 17.85 5.68 10.84 61.04 3.38 0.03 0.68 0.50 72 T H H 89.50 3.93 14.08 19.08 99.09 57.16 -80.29 -18.97 46.44 2.35 51.21 27.31 7.84 12.38 47.07 3.27 0.04 1.22 0.86 73 R C H 155.00 3.11 12.26 16.73 104.40 71.40 -80.19 20.95 59.84 3.22 36.94 33.10 10.59 16.35 33.48 3.50 0.06 1.60 1.31 74 N C C 109.42 3.96 11.43 16.85 103.02 50.53 -87.72 28.90 75.99 2.74 21.27 39.99 13.35 22.42 17.81 3.77 0.03 1.34 1.30 75 G C C 53.27 3.52 12.38 17.29 104.35 -103.25 76.32 5.61 88.12 1.44 10.45 35.80 19.99 32.92 5.55 4.30 0.00 0.70 0.74 76 G C C 46.82 5.06 12.40 18.86 111.78 -75.59 86.91 12.43 89.41 1.60 9.00 32.00 27.86 30.22 3.51 4.82 0.00 0.74 0.85 77 S C C 76.94 4.11 13.48 18.90 109.26 59.86 -91.76 88.37 85.40 2.59 12.02 40.03 28.96 16.84 6.58 4.91 0.01 1.08 1.59 78 G C C 41.28 6.96 13.01 20.93 109.07 -68.05 13.91 -104.36 72.88 1.99 25.13 36.59 22.99 13.84 19.16 5.46 0.02 0.85 1.10 79 S C H 74.21 4.77 14.55 20.48 99.01 26.21 -74.51 -26.71 54.42 1.76 43.82 27.70 13.76 14.08 37.06 5.75 0.04 0.82 0.78 80 G H H 42.21 4.76 15.43 21.20 97.52 55.98 -66.37 -36.25 47.41 1.64 50.96 27.61 10.37 10.59 44.85 5.10 0.03 0.81 0.63 81 S H H 51.94 7.97 14.91 23.94 95.89 56.15 -69.82 -35.24 33.68 1.58 64.74 23.12 5.96 6.30 58.73 4.55 0.02 0.85 0.49 82 A H H 49.32 7.98 14.49 23.73 94.57 55.64 -66.07 -39.01 23.05 1.66 75.28 15.85 4.04 4.98 69.42 4.24 0.02 1.05 0.40 83 A H H 57.89 4.26 16.23 21.38 93.83 53.82 -65.67 -39.00 19.43 1.81 78.76 13.54 3.23 4.35 72.55 4.61 0.02 1.35 0.35 84 A H H 53.71 5.27 15.34 21.95 93.54 52.08 -67.12 -37.65 17.10 2.26 80.64 11.68 2.83 4.19 74.08 4.99 0.02 1.85 0.36 85 L H H 71.52 8.11 13.20 22.62 94.29 52.71 -68.42 -36.85 17.95 3.36 78.69 12.11 2.90 4.53 71.26 5.71 0.03 3.01 0.45 86 E H H 103.82 4.53 13.86 19.72 94.66 56.41 -66.93 -37.14 19.40 4.23 76.37 12.96 2.84 4.95 67.88 6.86 0.02 3.97 0.51 87 V H H 93.26 2.75 12.96 16.60 95.50 55.84 -69.14 -35.91 22.48 4.30 73.22 12.80 3.23 7.43 62.78 9.19 0.05 3.88 0.64 88 L H H 104.31 3.90 11.23 16.54 95.95 56.13 -72.01 -29.58 30.62 3.91 65.47 13.48 4.44 13.79 55.58 8.62 0.13 3.01 0.95 89 F C H 129.73 4.72 9.47 15.63 99.81 51.92 -86.59 -0.94 51.72 2.72 45.57 28.60 2.16 20.91 40.38 5.11 0.02 1.66 1.15 90 Q C C 120.74 4.00 11.67 17.20 103.39 107.42 -78.67 49.98 99.83 0.10 0.07 99.60 0.13 0.14 0.05 0.00 0.00 0.06 0.01