# 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 L C C 59.94 15.12 17.64 32.12 113.66 -158.04 -91.53 120.26 99.77 0.23 0.00 99.78 0.05 0.02 0.00 0.00 0.00 0.14 0.01 1 G C C 36.11 8.30 20.52 28.78 104.37 -135.72 76.07 10.95 87.44 12.42 0.14 85.78 0.95 0.98 0.03 0.08 0.00 11.08 1.10 2 L C C 30.80 20.84 11.93 31.58 114.24 147.92 -87.88 127.55 58.12 41.69 0.19 54.48 2.44 0.46 0.04 0.16 0.00 41.07 1.36 3 R C E 120.99 6.17 21.06 27.88 100.60 175.19 -95.73 -30.40 55.29 44.66 0.05 28.04 26.20 0.54 0.00 0.05 0.00 44.90 0.26 4 E E E 60.40 10.48 22.52 33.54 136.25 9.40 -147.75 145.96 6.23 93.71 0.07 4.97 0.83 0.06 0.01 0.05 0.00 94.00 0.08 5 I E E 8.89 24.57 17.12 42.03 121.93 -160.12 -119.02 129.45 1.21 98.79 0.00 1.09 0.03 0.00 0.00 0.00 0.00 98.86 0.01 6 R E E 70.55 10.77 26.86 38.14 119.52 -164.49 -115.40 125.40 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 7 I E E 4.93 25.52 19.72 45.87 119.28 -165.09 -112.57 126.48 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 8 H E E 40.39 13.09 27.76 41.36 115.93 -163.93 -108.76 122.02 0.74 99.26 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.27 0.02 9 L E E 7.92 24.04 20.26 44.02 123.55 -170.65 -110.23 139.83 18.09 81.90 0.01 16.78 0.65 0.03 0.00 0.01 0.00 82.04 0.49 10 C C C 16.11 16.01 20.39 37.09 115.13 -135.59 -99.51 128.22 85.25 14.70 0.05 84.94 1.02 0.13 0.01 0.03 0.00 13.02 0.85 11 Q C S 81.15 12.31 18.54 31.04 97.91 -158.38 -79.93 -10.11 99.01 0.80 0.19 13.64 55.47 30.04 0.03 0.17 0.00 0.48 0.18 12 R C S 156.29 3.19 19.16 22.85 100.44 60.24 -93.20 -7.93 99.38 0.34 0.28 5.68 67.81 25.98 0.04 0.18 0.00 0.14 0.17 13 S C S 35.98 10.55 12.92 24.87 125.71 77.95 -116.47 148.77 99.26 0.42 0.31 37.18 61.36 0.71 0.10 0.13 0.00 0.10 0.41 14 P H G 103.24 2.92 17.92 21.58 92.80 -112.88 -61.93 -28.98 23.88 0.08 76.05 1.37 2.33 18.11 2.13 75.99 0.00 0.04 0.02 15 G H G 26.35 12.50 16.34 29.42 91.53 62.82 -70.50 -19.80 21.63 0.08 78.29 1.22 1.78 17.00 2.66 77.27 0.00 0.05 0.02 16 S H G 8.01 21.55 12.96 34.79 96.13 56.64 -91.39 -0.30 22.15 0.18 77.67 9.88 3.00 7.66 5.29 74.02 0.00 0.11 0.05 17 Q H H 99.15 6.08 22.20 29.57 92.89 97.95 -61.57 -39.52 5.26 0.01 94.74 0.94 0.71 3.45 93.67 1.21 0.01 0.00 0.01 18 G H H 24.90 8.37 23.13 32.18 92.18 49.74 -63.03 -39.70 2.97 0.00 97.03 0.19 0.23 2.48 96.39 0.71 0.00 0.00 0.00 19 V H H 4.93 24.66 18.68 43.23 92.11 50.76 -65.45 -42.21 0.49 0.00 99.51 0.07 0.03 0.29 99.28 0.32 0.00 0.00 0.00 20 R H H 65.93 16.28 21.58 36.76 91.53 52.42 -62.00 -42.57 0.13 0.00 99.87 0.02 0.01 0.06 99.85 0.06 0.00 0.00 0.00 21 D H H 75.31 2.85 25.47 27.33 91.41 50.05 -63.50 -41.94 0.22 0.00 99.78 0.02 0.01 0.12 99.80 0.04 0.00 0.00 0.00 22 F H H 19.85 15.76 19.75 36.39 91.72 50.31 -63.53 -43.66 0.28 0.00 99.72 0.02 0.02 0.18 99.74 0.05 0.00 0.00 0.00 23 I H H 5.28 24.95 15.93 40.97 91.55 48.67 -63.96 -42.64 0.55 0.00 99.45 0.04 0.03 0.39 99.45 0.08 0.00 0.00 0.00 24 E H H 103.52 7.33 19.86 27.78 92.31 48.03 -67.03 -38.97 1.80 0.00 98.20 0.06 0.07 1.65 97.98 0.24 0.00 0.00 0.00 25 K H H 130.33 2.12 20.91 22.13 98.88 35.68 -86.64 -36.28 11.77 0.00 88.23 0.09 0.27 12.43 86.62 0.56 0.01 0.00 0.00 26 R H H 73.92 12.55 17.44 30.23 104.90 24.25 -108.78 -28.03 39.48 0.02 60.51 0.35 0.97 37.79 60.10 0.75 0.01 0.00 0.02 27 Y H H 15.96 22.90 14.60 36.87 94.89 55.11 -69.08 -41.90 10.12 0.08 89.80 2.60 1.21 6.03 88.75 1.35 0.01 0.03 0.03 28 V H H 61.65 6.55 19.80 27.24 92.10 52.65 -62.69 -42.00 1.55 0.01 98.45 0.39 0.14 0.84 98.17 0.46 0.00 0.00 0.00 29 E H H 101.96 2.64 22.36 24.01 91.97 49.96 -64.68 -40.39 0.60 0.00 99.40 0.12 0.05 0.34 99.09 0.39 0.00 0.00 0.00 30 L H H 13.80 18.22 14.77 33.55 92.21 50.81 -65.15 -41.54 0.26 0.00 99.74 0.03 0.02 0.16 99.48 0.31 0.00 0.00 0.00 31 K H H 71.62 14.29 14.51 28.63 91.77 52.79 -64.67 -36.33 0.62 0.00 99.38 0.06 0.04 0.44 99.07 0.39 0.00 0.00 0.00 32 K H H 156.05 1.13 18.29 18.24 92.38 50.91 -67.16 -35.87 3.19 0.00 96.81 0.09 0.13 2.91 96.51 0.35 0.00 0.00 0.00 33 A H H 67.08 4.30 16.00 21.06 95.33 43.09 -78.65 -30.02 7.30 0.01 92.68 0.18 0.76 6.26 92.58 0.20 0.01 0.00 0.01 34 N C C 38.81 13.14 11.06 25.06 114.17 21.40 -135.58 81.81 99.87 0.08 0.05 89.17 10.51 0.16 0.03 0.01 0.00 0.02 0.10 35 P C T 92.48 5.35 13.51 21.30 92.74 175.57 -65.62 -19.71 99.71 0.05 0.24 1.06 2.82 95.88 0.02 0.18 0.00 0.03 0.02 36 D C T 118.60 1.44 18.37 19.27 92.66 60.79 -85.67 -5.16 99.79 0.05 0.15 0.57 3.75 95.49 0.01 0.14 0.00 0.03 0.01 37 L C S 19.09 20.74 10.08 30.47 115.36 102.78 -83.37 131.31 99.28 0.70 0.02 22.00 77.37 0.15 0.00 0.01 0.00 0.34 0.13 38 P C C 65.44 5.55 23.98 29.69 112.98 -119.06 -70.26 139.91 96.02 3.98 0.00 95.41 0.96 0.02 0.00 0.00 0.00 3.45 0.16 39 I E E 25.44 23.77 12.50 35.73 121.23 -157.39 -114.95 129.97 7.79 92.20 0.00 7.51 0.25 0.01 0.00 0.00 0.00 91.73 0.51 40 L E E 65.10 7.60 24.26 32.30 117.61 -163.31 -109.94 127.59 0.62 99.38 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.39 0.01 41 I E E 56.26 19.76 14.92 33.55 120.87 -160.45 -113.84 128.58 0.37 99.63 0.00 0.37 0.00 0.00 0.00 0.00 0.00 99.63 0.00 42 R E E 103.59 6.80 21.49 29.29 129.25 176.34 -132.12 143.61 0.51 99.49 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.46 0.02 43 E E E 104.17 9.89 17.13 27.81 115.65 -129.05 -82.00 134.46 4.23 95.76 0.00 4.11 0.11 0.01 0.00 0.00 0.00 95.57 0.20 44 C C C 27.54 16.35 11.28 27.63 119.00 -165.45 -119.65 129.14 75.33 24.54 0.13 74.41 0.86 0.16 0.02 0.09 0.00 23.77 0.68 45 S C T 81.49 2.82 15.90 19.76 107.71 -156.13 -89.85 109.59 92.72 6.56 0.73 27.74 28.42 36.93 0.06 0.82 0.00 5.28 0.75 46 D C S 122.24 1.49 17.19 18.12 98.02 19.32 41.30 22.76 97.10 2.47 0.43 12.67 44.51 40.00 0.02 0.54 0.00 1.93 0.32 47 V C C 42.50 14.61 11.87 26.93 120.00 117.71 -103.58 136.47 94.37 5.46 0.17 75.87 18.24 0.66 0.04 0.16 0.00 3.09 1.95 48 Q C C 84.83 7.65 22.37 30.38 119.01 -147.34 -99.55 142.28 96.71 3.27 0.02 87.64 9.11 0.22 0.00 0.02 0.00 2.62 0.37 49 P C C 15.55 21.57 16.36 37.88 114.27 -102.97 -68.48 142.78 91.52 8.46 0.02 80.06 10.76 0.20 0.00 0.02 0.00 8.67 0.28 50 K E E 66.66 11.61 25.05 36.83 132.72 -169.83 -135.32 145.99 2.30 97.70 0.00 2.19 0.09 0.00 0.00 0.00 0.00 97.51 0.20 51 L E E 6.00 24.86 18.32 43.74 121.67 -154.05 -114.06 132.68 0.32 99.68 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 52 W E E 59.17 10.89 26.02 37.72 121.14 -162.03 -112.85 132.19 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 53 A E E 4.02 23.81 16.84 41.05 130.86 -174.46 -129.58 148.57 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 54 R E E 76.98 8.59 23.14 32.61 117.42 -139.51 -106.69 126.44 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.81 0.01 55 Y C C 26.41 17.53 13.09 31.00 124.90 -156.20 -94.48 165.19 53.68 46.25 0.07 53.91 0.39 0.07 0.01 0.03 0.00 44.98 0.61 56 A C T 63.76 7.81 15.01 23.94 92.92 -96.15 -63.24 -25.72 98.08 0.43 1.49 0.23 2.44 95.63 0.02 1.40 0.00 0.25 0.04 57 F C T 141.58 3.02 14.63 18.31 95.68 54.37 -89.48 4.63 98.34 0.07 1.59 0.17 1.99 96.24 0.02 1.53 0.00 0.03 0.02 58 G C S 45.25 4.31 13.94 19.53 102.17 -95.71 92.87 2.57 98.74 0.39 0.88 17.54 77.73 3.59 0.11 0.68 0.00 0.21 0.15 59 Q C C 105.56 3.35 15.35 20.05 117.00 134.58 -79.60 143.39 96.89 3.09 0.02 96.81 0.58 0.05 0.01 0.01 0.00 2.25 0.29 60 E E E 101.44 11.53 12.09 24.48 123.50 -150.89 -114.09 138.49 1.80 98.19 0.00 1.70 0.07 0.00 0.00 0.00 0.00 98.04 0.20 61 K E E 84.48 8.42 17.85 27.65 130.33 -176.08 -134.45 145.91 0.32 99.68 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 62 N E E 85.55 11.53 16.00 28.50 124.68 -153.58 -121.36 137.14 0.44 99.56 0.00 0.36 0.02 0.00 0.00 0.00 0.00 99.61 0.00 63 V E E 32.27 14.32 17.19 32.58 125.91 -174.21 -130.22 134.38 0.99 99.01 0.00 0.90 0.03 0.00 0.00 0.00 0.00 99.04 0.03 64 S E E 56.98 6.41 22.71 29.55 112.93 -119.69 -75.42 132.35 6.10 93.89 0.01 5.85 0.20 0.02 0.00 0.00 0.00 93.70 0.22 65 L C C 8.17 24.45 12.90 37.97 98.72 -166.58 -98.41 -1.92 86.33 6.64 7.02 71.64 5.84 8.08 0.69 7.29 0.00 5.47 0.97 66 N C T 76.39 10.35 17.93 28.83 110.97 111.80 -70.45 130.67 94.48 0.86 4.66 2.87 7.86 83.29 0.26 4.87 0.00 0.54 0.31 67 N C T 127.13 1.84 20.34 21.61 94.61 13.32 66.49 19.68 95.79 0.41 3.80 4.19 9.62 81.22 0.18 4.42 0.00 0.26 0.13 68 F C C 42.39 16.69 10.56 27.28 121.52 130.11 -92.44 146.18 97.60 2.23 0.17 73.17 24.30 0.23 0.07 0.08 0.00 0.73 1.42 69 S C C 53.25 2.98 22.82 24.66 121.48 -123.48 -80.11 161.75 98.02 1.88 0.10 97.60 0.62 0.05 0.07 0.01 0.00 0.32 1.34 70 A H H 35.86 17.37 13.26 30.26 91.45 -106.95 -57.83 -38.62 0.94 0.00 99.06 0.10 0.10 0.61 98.91 0.28 0.00 0.00 0.00 71 D H H 103.71 1.87 20.78 22.05 91.37 53.46 -63.78 -39.57 0.43 0.00 99.57 0.04 0.02 0.30 99.34 0.30 0.00 0.00 0.00 72 Q H H 81.53 5.71 20.67 26.87 91.82 48.84 -66.38 -39.94 0.17 0.00 99.83 0.02 0.01 0.10 99.62 0.25 0.00 0.00 0.00 73 V H H 4.37 24.30 15.17 39.78 91.88 50.54 -63.57 -44.14 0.11 0.00 99.89 0.01 0.00 0.05 99.89 0.04 0.00 0.00 0.00 74 T H H 35.33 13.58 20.48 34.25 91.44 50.62 -62.77 -42.57 0.18 0.00 99.82 0.02 0.01 0.09 99.87 0.02 0.00 0.00 0.00 75 R H H 137.94 1.86 25.30 25.40 91.69 50.06 -64.05 -41.51 0.17 0.00 99.83 0.02 0.00 0.10 99.86 0.02 0.00 0.00 0.00 76 A H H 16.23 13.57 20.19 34.72 91.68 50.12 -63.95 -42.56 0.13 0.00 99.87 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 77 L H H 7.28 24.50 17.28 41.81 91.57 50.04 -63.73 -42.70 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 78 E H H 92.05 7.34 21.63 29.43 91.30 50.99 -63.16 -40.97 0.42 0.00 99.58 0.05 0.02 0.26 99.59 0.08 0.00 0.00 0.00 79 N H H 91.58 2.60 22.93 24.61 91.88 49.81 -65.50 -40.38 1.92 0.00 98.08 0.17 0.10 1.43 98.06 0.25 0.00 0.00 0.00 80 V H H 20.72 17.21 16.26 33.71 92.51 49.63 -66.09 -40.44 5.05 0.02 94.94 0.50 0.38 3.76 94.90 0.45 0.00 0.00 0.00 81 L H H 45.99 16.08 15.06 30.83 92.88 52.33 -68.80 -29.87 17.34 0.16 82.50 3.08 2.32 11.59 81.97 0.87 0.03 0.06 0.09 82 S C H 85.51 1.86 17.69 19.27 95.93 53.95 -85.71 -5.33 50.22 0.76 49.03 12.19 7.57 29.96 48.06 1.51 0.04 0.28 0.39 83 S C C 55.10 8.54 9.65 19.50 113.79 95.00 -81.71 143.22 75.55 1.76 22.69 34.13 20.36 20.20 21.42 2.32 0.02 0.70 0.85 84 K C C 157.76 1.91 12.95 16.04 112.25 -129.31 -90.38 130.45 89.87 1.93 8.20 79.52 1.86 8.44 7.00 1.17 0.00 0.94 1.08 85 A C C 67.70 7.96 11.08 20.21 111.09 -111.35 -72.87 137.58 99.95 0.04 0.01 99.89 0.05 0.03 0.01 0.00 0.00 0.02 0.00