# 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 107.12 6.28 16.34 23.71 117.92 -130.21 -89.36 138.03 99.96 0.04 0.00 99.84 0.13 0.01 0.00 0.00 0.00 0.02 0.00 1 P C C 58.61 13.65 11.40 25.04 115.57 -107.51 -67.71 148.98 98.37 1.42 0.21 97.76 0.35 0.62 0.05 0.08 0.00 0.91 0.24 2 R C C 131.88 5.98 17.01 24.35 118.66 -136.90 -99.61 138.61 66.98 32.21 0.81 55.51 9.41 1.60 0.25 0.67 0.00 28.36 4.20 3 E E C 104.31 9.04 17.22 27.11 116.10 -123.00 -85.04 135.30 48.97 50.32 0.71 44.92 2.98 0.61 0.27 0.48 0.00 42.89 7.85 4 I C C 20.73 18.94 11.41 30.49 118.10 -153.09 -108.14 127.93 71.49 27.85 0.66 71.22 1.20 0.31 0.34 0.29 0.00 22.06 4.58 5 K C C 142.16 3.31 19.67 23.85 99.97 -174.01 -99.91 -17.12 97.90 1.78 0.31 53.61 44.01 0.65 0.12 0.15 0.00 1.14 0.31 6 N C S 76.50 4.40 22.15 26.69 125.60 44.90 -123.33 141.89 95.08 3.33 1.60 24.80 69.92 0.69 1.41 0.21 0.00 0.73 2.25 7 L H H 31.25 21.02 12.67 33.23 91.87 -130.07 -60.13 -38.08 2.36 0.01 97.63 0.31 0.34 1.58 96.19 1.57 0.01 0.00 0.01 8 K H H 127.25 3.96 20.28 25.36 90.96 56.88 -62.52 -39.92 1.11 0.00 98.88 0.10 0.08 0.85 96.97 2.00 0.00 0.00 0.00 9 E H H 87.82 5.35 21.33 27.04 91.70 49.81 -65.69 -39.66 0.33 0.00 99.67 0.04 0.02 0.22 97.81 1.89 0.00 0.00 0.00 10 F H H 5.58 24.58 15.59 40.52 91.22 50.94 -63.66 -43.70 0.19 0.00 99.81 0.03 0.01 0.11 99.42 0.42 0.00 0.00 0.00 11 L H H 34.03 17.27 20.01 36.68 91.69 50.25 -63.81 -41.33 0.31 0.00 99.69 0.04 0.02 0.21 99.24 0.50 0.00 0.00 0.00 12 A H H 60.52 2.86 24.68 26.49 91.71 51.53 -64.43 -41.20 1.14 0.01 98.85 0.08 0.05 0.92 98.26 0.69 0.00 0.00 0.00 13 I H H 35.25 12.96 20.15 33.71 92.15 49.50 -66.40 -39.87 3.63 0.02 96.35 0.16 0.23 3.23 95.57 0.79 0.02 0.01 0.01 14 C H H 6.00 23.99 14.05 38.09 92.12 55.29 -70.06 -24.51 27.89 0.35 71.76 3.47 2.71 21.59 70.07 1.75 0.07 0.14 0.20 15 S C T 63.90 7.68 20.22 28.38 92.97 62.48 -80.70 -10.72 71.96 0.75 27.29 14.00 7.17 49.39 25.57 3.12 0.01 0.33 0.42 16 R C S 103.93 8.50 14.35 24.27 112.25 97.11 -77.98 130.94 86.11 2.29 11.60 22.51 53.06 9.84 9.63 2.09 0.02 0.66 2.19 17 K C T 154.62 2.80 16.28 20.21 95.54 -134.86 -66.58 -24.91 93.40 0.43 6.17 2.73 11.72 79.73 2.20 3.10 0.01 0.22 0.30 18 D C T 94.64 4.96 17.56 23.25 96.92 53.55 -87.74 0.76 96.94 0.28 2.78 6.28 9.20 81.55 0.90 1.77 0.00 0.17 0.13 19 A C C 16.36 21.14 9.35 29.41 114.63 116.42 -77.20 134.20 84.34 11.15 4.51 78.76 4.47 1.58 2.02 2.42 0.00 9.55 1.18 20 R C C 148.55 3.62 22.12 26.49 100.08 -176.28 -94.28 -28.22 76.22 19.02 4.76 42.71 31.42 2.37 3.73 1.10 0.01 17.89 0.77 21 C E E 42.49 10.27 22.68 33.56 141.17 3.96 -155.53 155.78 17.46 77.02 5.53 13.16 3.30 1.46 3.97 1.34 0.01 76.19 0.56 22 V E E 18.58 23.34 15.24 38.50 129.93 -168.23 -138.67 137.44 5.02 89.80 5.18 4.09 0.50 0.51 4.44 0.64 0.00 89.55 0.26 23 K E E 90.98 8.00 25.49 34.12 120.10 -160.92 -113.93 131.30 4.28 90.65 5.06 3.48 0.36 0.49 4.67 0.51 0.00 90.24 0.25 24 V E E 26.13 21.24 15.10 36.15 118.06 -156.08 -103.21 128.23 13.75 81.19 5.06 11.68 1.16 0.76 4.07 0.81 0.01 81.10 0.40 25 K E E 86.14 8.72 18.92 28.40 116.11 -145.41 -92.67 134.20 31.97 64.35 3.69 26.97 3.27 1.50 2.61 0.91 0.01 63.94 0.79 26 H C E 117.65 8.62 14.70 24.21 104.40 -156.83 -90.03 -9.73 60.05 37.71 2.23 34.00 21.92 4.88 1.31 0.94 0.00 35.92 1.04 27 N C C 70.77 5.93 14.04 21.59 113.80 78.37 -120.45 109.03 83.56 16.01 0.43 59.55 20.98 2.75 0.10 0.40 0.00 14.84 1.38 28 P C T 93.82 5.86 12.43 20.24 94.08 -154.84 -66.75 -22.90 96.17 2.12 1.71 23.47 29.01 43.54 0.13 1.89 0.00 1.60 0.35 29 K C T 150.54 2.08 15.85 17.90 97.64 48.68 -91.73 -11.22 95.62 2.46 1.92 16.62 32.61 46.26 0.12 2.08 0.00 1.93 0.37 30 V C E 55.56 8.46 15.23 25.34 126.85 42.47 -130.49 143.13 66.97 31.11 1.93 27.22 25.07 16.15 0.19 1.83 0.00 28.22 1.33 31 T E E 22.91 16.59 15.22 32.55 116.65 -153.29 -109.12 129.60 27.64 72.24 0.12 23.32 2.94 0.47 0.02 0.09 0.00 72.66 0.50 32 K E E 67.96 10.95 22.60 33.85 123.58 -158.68 -116.72 135.74 5.58 94.41 0.01 4.90 0.41 0.02 0.00 0.00 0.00 94.55 0.12 33 F E E 14.26 22.00 17.23 39.16 129.90 -174.74 -129.95 147.08 0.86 99.14 0.00 0.76 0.02 0.00 0.00 0.00 0.00 99.19 0.02 34 K E E 72.52 9.86 25.09 35.33 120.32 -146.42 -108.96 132.17 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.00 35 V E E 6.66 23.44 16.61 40.45 122.58 -168.93 -118.67 131.83 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 36 R E E 99.26 7.63 22.80 30.94 117.85 -159.65 -109.62 126.81 3.01 96.98 0.01 2.62 0.22 0.02 0.00 0.00 0.00 97.01 0.13 37 C C C 21.14 15.97 12.52 28.78 130.83 172.03 -122.48 170.55 72.05 27.91 0.04 68.56 1.88 0.14 0.01 0.03 0.00 28.94 0.45 38 S C S 83.27 2.86 16.64 20.04 93.86 -86.78 -64.36 -31.09 99.60 0.28 0.13 1.44 76.40 21.83 0.00 0.10 0.00 0.17 0.04 39 R C S 159.36 2.84 16.13 19.55 103.31 15.14 -105.57 -15.00 99.53 0.36 0.11 1.11 75.81 22.68 0.00 0.10 0.00 0.24 0.04 40 H E E 70.31 9.38 16.26 26.93 137.55 24.25 -145.42 153.79 31.33 68.64 0.04 24.97 5.29 0.22 0.00 0.03 0.00 68.97 0.51 41 L E E 48.68 14.36 17.45 32.35 120.17 -140.93 -111.20 130.96 1.84 98.16 0.00 1.81 0.05 0.00 0.00 0.00 0.00 98.07 0.06 42 Y E E 28.41 17.12 19.87 37.49 128.09 -171.92 -123.73 144.43 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.00 43 T E E 28.11 14.63 23.26 38.26 122.08 -154.96 -112.46 133.00 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 44 L E E 7.70 23.09 20.49 43.67 120.90 -162.71 -112.48 130.66 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 45 V E E 33.75 12.15 25.46 38.45 118.49 -156.28 -106.75 127.91 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.74 0.01 46 M E E 12.06 21.19 14.48 36.03 122.93 -167.76 -111.97 142.07 14.23 85.76 0.01 14.13 0.25 0.01 0.00 0.00 0.00 85.17 0.43 47 A C S 70.66 4.72 20.48 26.03 95.58 -153.00 -81.48 -21.41 97.79 2.18 0.03 8.97 88.24 0.67 0.00 0.02 0.00 2.02 0.07 48 D C C 71.66 4.99 18.77 24.57 115.82 50.05 -114.59 117.06 98.69 0.90 0.41 63.57 33.97 1.33 0.23 0.14 0.00 0.41 0.34 49 K H H 108.39 10.88 13.39 25.08 93.24 -153.55 -62.63 -35.36 3.66 0.01 96.34 0.73 0.75 2.09 94.95 1.46 0.00 0.00 0.00 50 K H H 145.02 1.15 20.52 19.80 91.48 54.60 -63.73 -40.98 1.97 0.00 98.02 0.21 0.23 1.47 96.33 1.74 0.01 0.00 0.00 51 K H H 74.77 8.64 18.49 28.07 92.24 47.61 -66.56 -39.42 1.12 0.00 98.88 0.17 0.11 0.76 97.01 1.95 0.00 0.00 0.00 52 A H H 3.94 22.85 12.35 35.53 91.12 52.12 -62.65 -42.91 0.74 0.00 99.25 0.15 0.07 0.43 98.66 0.69 0.00 0.00 0.00 53 D H H 72.92 4.79 22.21 27.26 91.22 51.14 -63.46 -40.83 1.07 0.00 98.93 0.09 0.04 0.79 97.85 1.23 0.00 0.00 0.00 54 K H H 107.38 2.75 23.20 24.93 91.51 50.45 -64.24 -42.16 1.03 0.00 98.97 0.07 0.04 0.77 96.26 2.87 0.00 0.00 0.00 55 I H H 8.72 21.62 15.88 37.72 91.66 49.64 -64.32 -42.48 0.73 0.00 99.27 0.08 0.04 0.50 96.11 3.27 0.00 0.00 0.00 56 E H H 62.97 16.92 17.17 33.21 90.97 53.89 -62.29 -37.58 1.98 0.01 98.02 0.15 0.09 1.61 93.39 4.75 0.00 0.00 0.00 57 R H H 174.86 1.30 21.37 21.44 91.32 54.49 -69.35 -26.25 28.91 0.02 71.08 0.29 0.48 29.69 65.22 4.29 0.01 0.00 0.01 58 S C T 54.85 8.37 17.97 27.13 94.16 53.84 -87.87 -9.44 58.71 0.03 41.25 0.89 1.63 56.23 37.59 3.61 0.01 0.01 0.03 59 I C S 17.45 23.74 9.61 32.38 117.28 98.95 -82.26 138.96 98.87 0.68 0.45 19.73 78.64 0.42 0.37 0.05 0.00 0.11 0.68 60 H C C 81.25 7.45 18.33 26.84 113.92 -109.31 -68.43 143.25 99.81 0.12 0.07 98.62 1.00 0.23 0.02 0.02 0.00 0.04 0.06 61 P C T 90.40 7.26 14.15 22.58 92.98 -111.57 -61.31 -22.57 99.10 0.18 0.72 1.85 5.47 91.83 0.10 0.57 0.00 0.11 0.07 62 S C T 81.33 2.81 17.71 21.13 93.08 56.80 -83.27 -0.68 98.53 0.58 0.89 2.48 5.10 91.00 0.10 0.77 0.00 0.48 0.07 63 V C C 25.96 20.41 8.95 28.32 117.54 108.04 -88.43 135.22 77.52 21.89 0.59 58.77 17.00 1.19 0.10 0.47 0.00 21.57 0.90 64 K E E 132.81 2.93 21.65 24.73 115.71 -139.90 -93.94 130.27 20.45 79.21 0.35 19.57 0.88 0.27 0.10 0.20 0.00 78.34 0.64 65 K E E 82.48 17.22 12.61 28.99 119.61 -149.88 -103.06 132.70 10.87 88.97 0.16 10.28 0.60 0.11 0.05 0.07 0.00 88.50 0.38 66 I E E 70.94 8.25 17.61 27.20 123.51 -170.63 -120.83 137.07 8.35 91.49 0.16 7.98 0.41 0.09 0.06 0.07 0.00 91.07 0.31 67 T E E 81.07 7.34 17.42 26.04 114.11 -134.06 -88.04 128.96 16.87 82.98 0.15 16.29 0.65 0.10 0.06 0.07 0.00 82.20 0.63 68 V C C 39.54 15.72 11.51 27.23 115.44 -161.30 -102.32 128.19 73.39 17.75 8.86 65.14 4.77 2.71 4.09 4.29 0.00 17.97 1.04 69 T C C 80.11 4.61 17.78 22.95 112.23 -149.08 -88.30 136.84 75.69 7.59 16.72 53.85 13.19 8.94 8.10 8.46 0.01 6.11 1.34 70 S C C 57.09 9.11 13.43 23.20 104.72 -117.46 -82.03 29.74 69.78 4.22 26.00 45.43 14.29 10.35 13.87 12.08 0.02 2.52 1.43 71 R C C 129.42 6.70 14.23 22.06 97.49 67.72 -76.19 -28.34 63.53 3.00 33.47 37.09 14.82 11.93 21.73 11.60 0.03 1.59 1.20 72 S C C 60.03 6.04 14.46 21.64 100.77 59.50 -77.93 -15.74 64.90 2.47 32.63 40.74 12.85 11.17 22.44 10.46 0.01 1.29 1.05 73 H C C 96.05 8.16 13.77 22.72 97.74 67.29 -76.62 -26.12 59.84 2.59 37.57 39.53 10.42 10.12 27.18 10.27 0.02 1.37 1.10 74 A C C 53.92 8.02 12.64 21.87 96.74 69.58 -70.74 -31.42 58.47 2.62 38.91 34.32 10.06 14.77 26.74 11.53 0.03 1.41 1.14 75 N C C 100.31 4.48 13.42 19.16 98.17 59.72 -77.42 -10.78 64.71 3.04 32.25 34.35 12.34 18.88 19.77 11.67 0.03 1.61 1.35 76 K C C 126.69 4.63 12.71 18.78 101.20 72.50 -82.43 -2.71 70.80 4.97 24.24 35.70 17.23 18.94 14.90 8.53 0.05 2.72 1.93 77 N C C 100.33 5.38 10.94 17.77 106.68 73.06 -91.86 71.66 80.82 6.46 12.72 46.25 18.70 16.34 6.98 5.32 0.02 3.38 3.02 78 T C C 79.90 5.05 10.02 16.96 117.69 108.76 -95.21 137.81 93.44 4.48 2.07 66.03 24.88 2.79 1.09 0.90 0.00 2.55 1.75 79 P C C 94.37 4.18 9.51 15.65 110.82 -111.88 -68.61 145.63 92.16 4.65 3.19 67.34 12.93 11.82 0.98 2.17 0.00 3.28 1.47 80 S C C 86.24 2.65 8.96 13.49 110.29 -119.81 -83.52 125.16 93.41 4.22 2.37 85.04 1.97 6.90 0.76 1.14 0.00 2.79 1.41 81 K C C 154.90 2.30 11.40 15.21 108.95 -133.18 -88.82 109.95 99.75 0.22 0.02 99.69 0.11 0.05 0.01 0.00 0.00 0.13 0.02