# 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 108.81 4.92 12.35 18.53 109.36 -150.75 -85.24 119.20 99.57 0.15 0.28 99.38 0.15 0.14 0.21 0.02 0.00 0.07 0.03 1 I C C 97.94 4.40 10.26 16.20 104.42 -154.11 -78.38 -1.70 66.00 1.05 32.95 61.37 1.17 3.34 32.12 1.16 0.00 0.46 0.39 2 R H H 143.41 3.07 12.22 16.30 96.76 65.50 -68.18 -39.87 39.18 0.56 60.26 30.68 4.07 4.59 58.39 1.83 0.00 0.24 0.21 3 E H H 105.90 5.52 12.30 19.09 94.03 52.01 -65.20 -39.24 14.75 0.25 85.00 9.09 2.26 4.07 81.73 2.64 0.00 0.13 0.08 4 E H H 106.27 3.42 14.41 18.75 92.54 51.59 -65.52 -39.23 7.96 0.16 91.88 4.07 1.25 3.04 88.54 2.95 0.01 0.09 0.04 5 R H H 118.20 4.28 15.83 21.08 92.24 51.32 -65.51 -39.76 5.75 0.12 94.13 2.58 0.87 2.63 90.76 3.04 0.01 0.08 0.03 6 L H H 50.05 11.33 14.71 26.95 92.20 51.31 -65.36 -40.39 4.05 0.10 95.85 1.43 0.54 2.21 92.31 3.40 0.01 0.07 0.02 7 L H H 62.27 9.78 16.41 27.11 92.14 52.17 -65.40 -38.17 4.00 0.12 95.88 1.15 0.52 2.39 91.12 4.69 0.02 0.09 0.03 8 K H H 114.38 4.26 20.18 24.87 92.26 54.04 -65.32 -35.99 7.79 0.29 91.93 1.59 0.92 5.26 85.12 6.77 0.05 0.21 0.08 9 V H H 45.55 12.68 17.89 31.02 93.40 52.18 -67.81 -35.28 13.28 0.95 85.77 2.16 1.69 9.64 79.01 6.37 0.20 0.70 0.23 10 L H H 40.52 17.85 17.08 34.56 95.88 56.17 -79.92 -13.21 22.38 16.29 61.33 6.45 4.32 13.04 56.55 4.84 0.49 11.34 2.97 11 R E E 117.11 9.79 20.46 30.18 102.28 87.65 -87.60 7.07 35.09 48.47 16.44 20.20 8.10 7.37 16.20 2.71 0.42 32.18 12.81 12 A C C 42.01 12.67 17.24 30.13 123.45 119.45 -110.08 139.49 69.85 29.28 0.86 46.21 23.58 1.12 0.57 0.35 0.00 25.65 2.51 13 P C C 62.44 11.19 17.87 29.34 114.58 -104.32 -67.37 148.05 75.08 23.80 1.12 63.50 8.74 1.89 0.53 0.61 0.00 22.49 2.25 14 H C C 94.55 11.77 17.53 29.37 110.27 -124.49 -86.54 121.29 78.61 20.02 1.37 61.03 14.55 2.48 0.69 0.82 0.00 13.60 6.82 15 V C C 47.93 16.28 12.58 28.44 122.13 -138.43 -108.14 135.50 87.32 11.73 0.95 74.47 11.66 1.10 0.59 0.43 0.00 6.96 4.79 16 S C C 48.34 5.68 16.21 22.98 124.43 -146.37 -87.65 170.83 96.14 2.77 1.08 88.69 7.16 0.53 0.98 0.19 0.00 1.41 1.05 17 E H H 150.44 1.65 15.02 17.29 91.04 -96.98 -58.86 -37.08 10.68 0.08 89.24 1.71 2.97 6.50 87.35 1.36 0.04 0.03 0.05 18 K H H 132.40 2.34 17.33 19.92 91.69 52.15 -65.01 -39.56 9.18 0.07 90.75 1.37 1.44 6.65 88.78 1.64 0.04 0.03 0.04 19 A H H 14.79 17.06 12.61 29.86 92.24 50.22 -65.73 -40.51 5.11 0.10 94.79 1.79 0.89 2.73 92.75 1.74 0.01 0.06 0.03 20 S H H 40.97 9.37 16.56 27.03 92.05 52.42 -63.80 -41.12 3.40 0.09 96.50 1.43 0.58 1.54 95.30 1.06 0.01 0.05 0.02 21 T H H 74.89 1.86 20.96 21.02 92.11 50.00 -64.65 -41.38 3.68 0.12 96.19 1.28 0.58 1.95 95.18 0.88 0.01 0.07 0.03 22 A H H 26.99 8.36 15.79 26.23 92.17 50.82 -64.98 -41.23 3.39 0.12 96.49 1.08 0.54 1.87 95.53 0.88 0.02 0.06 0.03 23 M H H 43.36 15.90 12.41 28.12 92.71 51.65 -64.93 -40.65 4.04 0.11 95.85 1.22 0.57 2.33 94.53 1.25 0.01 0.06 0.03 24 E H H 133.24 2.65 16.76 20.05 93.00 48.83 -66.79 -37.96 5.83 0.07 94.10 1.03 0.60 4.13 92.77 1.38 0.02 0.04 0.02 25 K H H 154.73 1.05 16.66 16.41 95.36 44.19 -75.54 -33.34 11.94 0.07 87.98 1.12 1.28 9.51 86.81 1.17 0.04 0.03 0.04 26 S H H 54.37 7.10 14.25 22.49 102.88 28.53 -106.44 -2.06 34.69 0.17 65.14 3.83 6.41 23.72 64.68 1.12 0.06 0.05 0.13 27 N C T 95.38 7.03 17.27 25.57 94.95 -124.88 56.44 39.57 99.00 0.64 0.35 31.01 12.47 55.66 0.09 0.19 0.00 0.50 0.08 28 T C E 23.54 15.33 17.26 33.36 127.38 133.11 -117.51 151.17 50.92 49.05 0.03 44.68 4.44 0.14 0.00 0.02 0.00 50.21 0.50 29 I E E 18.07 18.73 21.39 40.29 117.01 -132.28 -99.53 129.77 5.69 94.31 0.00 5.69 0.13 0.01 0.00 0.00 0.00 94.02 0.15 30 V E E 22.51 16.90 24.50 41.36 119.21 -158.12 -110.21 128.27 1.74 98.26 0.00 1.77 0.01 0.00 0.00 0.00 0.00 98.19 0.03 31 L E E 6.62 23.76 21.08 44.71 122.93 -168.49 -115.72 133.83 0.42 99.58 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 32 K E E 68.47 12.16 27.03 39.39 115.91 -149.20 -102.79 126.34 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.01 33 V E E 6.62 23.75 17.20 41.06 132.35 176.89 -129.87 150.70 1.86 98.14 0.00 1.84 0.03 0.00 0.00 0.00 0.00 98.01 0.11 34 A E E 24.74 10.46 20.89 32.84 113.41 -101.70 -67.43 141.93 29.40 70.58 0.02 29.78 0.48 0.05 0.01 0.01 0.00 68.77 0.90 35 K C T 108.50 11.27 16.19 28.12 91.37 -123.04 -62.22 -28.17 98.90 0.73 0.37 0.50 3.89 94.76 0.01 0.29 0.00 0.47 0.08 36 D C T 115.94 1.42 20.94 21.21 93.48 56.87 -89.11 1.03 99.57 0.21 0.23 0.53 3.63 95.47 0.01 0.20 0.00 0.14 0.02 37 A C C 10.48 21.24 9.15 29.93 116.75 122.52 -69.96 141.49 99.15 0.77 0.08 77.53 21.58 0.16 0.02 0.05 0.00 0.32 0.34 38 T C C 68.19 2.91 24.10 25.55 124.57 -137.82 -90.22 164.40 90.85 9.03 0.12 90.85 0.52 0.02 0.10 0.01 0.00 1.12 7.38 39 K H H 92.54 14.98 14.19 28.74 90.99 -104.95 -57.53 -38.73 0.61 0.00 99.39 0.08 0.07 0.35 99.43 0.08 0.00 0.00 0.00 40 A H H 69.90 2.22 21.71 23.02 91.43 53.41 -63.63 -40.40 0.19 0.00 99.81 0.01 0.01 0.12 99.79 0.06 0.00 0.00 0.00 41 E H H 77.99 8.66 20.80 29.92 91.86 49.03 -65.51 -40.70 0.05 0.00 99.95 0.00 0.00 0.03 99.92 0.04 0.00 0.00 0.00 42 I H H 2.02 26.82 15.12 42.76 90.94 49.73 -63.39 -43.71 0.02 0.00 99.98 0.00 0.00 0.01 99.98 0.00 0.00 0.00 0.00 43 K H H 80.97 13.61 22.03 34.70 91.39 51.29 -61.90 -42.26 0.04 0.00 99.96 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 44 A H H 53.12 2.75 25.53 27.18 91.41 50.17 -63.49 -42.45 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 45 A H H 9.91 15.59 20.76 37.24 91.37 50.00 -63.91 -42.99 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 46 V H H 1.98 26.52 16.50 43.71 91.44 49.30 -64.11 -43.05 0.05 0.00 99.95 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 47 Q H H 82.63 9.78 19.84 29.84 91.75 51.26 -63.57 -40.22 0.11 0.00 99.89 0.01 0.00 0.09 99.86 0.05 0.00 0.00 0.00 48 K H H 132.99 2.48 22.02 24.09 92.31 49.11 -67.53 -39.07 0.49 0.00 99.51 0.01 0.01 0.50 99.37 0.10 0.00 0.00 0.00 49 L H H 39.36 16.06 17.29 33.02 97.54 39.05 -80.84 -37.06 2.17 0.00 97.83 0.03 0.06 2.11 97.69 0.10 0.00 0.00 0.00 50 F H H 26.13 19.91 14.68 34.24 107.13 24.88 -113.05 4.48 27.53 0.11 72.36 2.17 4.11 19.92 73.21 0.44 0.03 0.03 0.09 51 E C T 143.88 2.34 21.72 24.05 95.83 -125.62 51.41 47.37 99.47 0.14 0.39 22.61 11.32 65.65 0.19 0.12 0.00 0.08 0.03 52 V C C 19.75 18.98 11.75 30.83 130.82 131.50 -124.56 152.26 91.78 8.13 0.09 74.90 16.53 0.37 0.03 0.05 0.00 7.57 0.55 53 E C C 113.73 3.26 24.52 27.41 112.64 -121.90 -88.54 129.20 85.58 14.36 0.06 84.89 0.77 0.12 0.01 0.03 0.00 13.93 0.26 54 V E E 18.39 23.49 10.51 33.32 113.42 -143.23 -89.57 124.47 40.12 59.79 0.09 41.22 0.37 0.04 0.02 0.05 0.00 57.69 0.61 55 E E E 109.32 3.65 21.71 25.61 99.56 176.88 -90.72 -34.57 34.18 65.75 0.06 18.44 14.93 0.25 0.01 0.05 0.00 66.16 0.17 56 V E E 67.26 5.66 23.25 29.60 137.91 0.96 -152.62 149.98 4.56 95.40 0.03 3.64 0.53 0.06 0.01 0.02 0.00 95.69 0.06 57 V E E 23.05 23.28 12.38 34.85 125.02 -166.04 -130.16 131.02 1.41 98.58 0.01 1.30 0.05 0.00 0.00 0.00 0.00 98.60 0.03 58 N E E 68.54 6.06 24.56 30.79 125.91 -173.27 -122.35 141.02 1.86 98.14 0.01 1.60 0.09 0.01 0.00 0.00 0.00 98.27 0.02 59 T E E 39.93 19.04 13.92 32.07 123.39 -156.90 -116.58 137.05 2.90 97.08 0.02 2.63 0.11 0.01 0.00 0.00 0.00 97.19 0.05 60 L E E 62.01 8.70 18.64 28.68 122.22 -163.18 -115.77 135.60 3.16 96.77 0.06 2.76 0.23 0.04 0.02 0.02 0.00 96.78 0.15 61 V E E 67.27 10.37 15.38 26.89 116.64 -146.98 -102.07 126.34 5.74 94.14 0.12 5.13 0.43 0.08 0.05 0.04 0.00 94.00 0.27 62 V E E 53.16 9.77 12.79 24.33 118.58 -165.31 -109.36 132.23 20.57 78.85 0.58 18.73 1.52 0.42 0.26 0.25 0.00 78.11 0.70 63 K E E 140.23 3.04 13.91 18.40 114.63 -133.32 -89.12 131.85 47.62 50.26 2.12 30.39 12.01 6.41 0.66 1.35 0.01 48.09 1.08 64 G C C 38.48 5.98 10.18 17.68 122.76 -5.89 -109.33 169.27 70.69 26.61 2.69 42.99 17.74 9.99 0.85 1.82 0.01 25.08 1.51 65 K C C 140.51 3.14 10.21 14.89 112.02 -116.41 -97.89 126.40 72.23 23.29 4.48 49.36 15.73 7.29 2.10 2.58 0.02 19.18 3.73 66 V C C 103.93 2.81 8.47 12.86 115.98 -114.10 -98.53 129.99 81.69 10.93 7.39 43.73 21.75 17.03 3.28 3.73 0.02 8.25 2.20 67 K C C 166.78 1.11 9.52 11.22 101.05 -53.23 -69.27 -10.64 90.43 3.07 6.50 51.09 19.16 20.56 2.55 3.61 0.00 2.25 0.77 68 R C C 171.18 1.88 9.43 12.39 105.39 40.59 -91.06 21.02 89.62 6.17 4.21 59.05 16.20 14.32 1.54 2.65 0.00 5.23 1.01 69 R C C 145.84 4.20 9.94 15.85 114.51 110.41 -96.16 123.39 72.82 24.58 2.60 55.16 10.98 5.83 0.78 1.95 0.00 22.29 3.00 70 S C C 53.27 7.39 11.54 20.45 118.29 -158.04 -97.59 144.90 67.84 30.75 1.41 50.00 10.92 5.97 0.25 1.31 0.00 30.13 1.42 71 D C C 80.55 7.21 15.20 23.46 103.61 -140.01 -90.02 25.70 61.60 37.54 0.85 37.87 16.27 6.86 0.10 0.87 0.00 37.36 0.67 72 W E E 72.69 12.73 14.48 28.17 124.58 118.47 -108.78 144.36 27.64 72.26 0.10 23.85 2.94 0.36 0.02 0.08 0.00 72.16 0.60 73 K E E 54.82 13.37 18.02 32.06 126.35 -163.29 -120.07 142.75 6.55 93.44 0.02 5.81 0.47 0.05 0.00 0.01 0.00 93.47 0.18 74 K E E 63.51 13.12 21.09 34.33 125.12 -150.23 -116.65 141.32 1.97 98.02 0.00 1.75 0.09 0.00 0.00 0.00 0.00 98.11 0.04 75 A E E 7.44 20.65 17.86 38.98 123.07 -158.13 -113.86 137.48 1.10 98.90 0.00 1.03 0.02 0.00 0.00 0.00 0.00 98.93 0.01 76 Y E E 61.27 11.80 23.90 36.27 121.51 -163.15 -114.70 131.73 0.38 99.62 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.64 0.01 77 V E E 7.99 22.68 18.45 41.45 121.65 -166.59 -117.08 131.03 0.48 99.51 0.00 0.45 0.00 0.00 0.00 0.00 0.00 99.54 0.01 78 T E E 41.79 9.83 25.77 36.25 119.07 -160.36 -108.93 131.38 1.59 98.41 0.00 1.49 0.04 0.00 0.00 0.00 0.00 98.42 0.05 79 L E E 11.50 22.88 12.99 35.90 122.17 -155.20 -105.00 142.04 13.01 86.97 0.02 12.74 0.31 0.02 0.01 0.01 0.00 86.16 0.76 80 K C C 103.74 5.00 21.02 26.21 118.67 -124.04 -81.76 153.07 85.97 13.78 0.25 81.49 3.31 0.52 0.05 0.21 0.00 13.72 0.68 81 E C T 133.46 4.90 14.82 21.56 110.07 -83.42 -61.23 135.57 95.21 3.66 1.13 1.99 8.31 85.46 0.08 0.99 0.00 2.68 0.50 82 G C T 57.00 1.99 16.31 18.53 97.37 21.38 86.91 -4.12 96.58 2.66 0.76 4.37 7.70 84.48 0.04 0.85 0.00 2.37 0.19 83 Q C C 69.71 11.57 11.57 24.01 116.67 130.64 -80.65 140.89 88.55 10.83 0.62 81.87 5.87 0.73 0.10 0.56 0.00 9.72 1.15 84 N C C 111.96 3.68 18.53 23.59 114.49 -143.48 -99.75 125.84 61.50 38.06 0.44 59.30 1.63 0.41 0.19 0.23 0.00 25.97 12.27 85 L C C 34.75 20.12 10.92 30.01 119.27 -166.16 -109.53 130.92 78.00 21.26 0.75 73.20 3.29 0.90 0.23 0.48 0.00 19.26 2.64 86 D C C 88.21 4.78 20.03 25.59 109.03 -145.13 -93.26 109.79 81.71 16.95 1.33 74.78 4.55 1.83 0.39 0.88 0.00 15.10 2.48 87 F C C 77.56 15.51 13.05 28.02 100.01 174.48 -90.49 -7.11 83.75 10.88 5.36 47.29 21.71 15.44 1.31 4.04 0.01 7.42 2.78 88 V C C 85.62 7.48 13.95 22.46 108.37 67.28 -96.77 80.76 82.35 11.42 6.23 34.15 24.06 25.54 1.42 4.49 0.03 6.65 3.67 89 G C C 49.53 4.17 13.37 19.01 107.36 14.24 87.72 0.65 88.51 6.31 5.17 36.55 25.83 26.94 0.87 4.21 0.00 3.92 1.66 90 G C C 46.22 5.68 11.04 18.30 112.59 -106.00 96.00 157.75 89.18 6.61 4.21 47.14 23.29 19.22 0.78 3.54 0.00 4.14 1.90 91 A C C 74.17 4.82 9.72 16.35 113.24 -102.89 -89.71 136.37 91.62 6.10 2.28 83.01 3.36 5.43 0.62 1.41 0.00 4.18 2.01 92 E C C 141.87 2.85 12.87 17.43 111.49 -121.30 -84.34 126.65 99.57 0.40 0.03 99.46 0.16 0.07 0.01 0.00 0.00 0.26 0.04