# 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 104.25 7.66 12.60 21.36 116.07 -157.62 -93.88 136.77 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 S C C 71.80 5.24 11.43 18.32 113.77 -151.53 -94.81 137.67 93.35 4.62 2.02 88.47 1.14 4.31 0.56 0.99 0.00 3.46 1.06 2 Q C C 117.34 5.01 11.63 18.29 106.62 -151.94 -88.44 69.56 87.30 9.60 3.11 54.69 20.51 12.12 0.52 2.90 0.00 7.89 1.37 3 D C C 92.35 5.77 14.34 21.30 107.57 40.96 -90.42 83.34 81.47 16.18 2.36 57.70 16.35 6.64 0.32 2.32 0.00 15.59 1.07 4 T C C 42.43 13.87 14.08 28.39 119.97 141.23 -104.81 137.03 57.34 42.11 0.55 47.24 7.80 1.20 0.09 0.49 0.00 42.19 0.99 5 K E E 87.29 10.38 21.04 31.51 122.00 -152.16 -108.52 135.82 23.89 76.00 0.11 21.66 1.53 0.17 0.03 0.07 0.00 75.89 0.65 6 Y E E 18.97 21.48 17.17 38.50 130.21 -170.88 -125.78 145.87 6.22 93.75 0.02 5.96 0.24 0.02 0.01 0.01 0.00 93.52 0.23 7 E E E 41.99 13.52 25.17 38.89 123.32 -153.76 -115.91 135.34 3.04 96.95 0.01 2.79 0.16 0.01 0.00 0.00 0.00 97.00 0.04 8 I E E 6.56 23.99 21.27 45.23 122.72 -164.52 -117.66 132.35 2.07 97.93 0.00 2.00 0.05 0.00 0.00 0.00 0.00 97.92 0.02 9 M E E 21.78 18.08 26.41 43.90 122.97 -166.50 -115.12 134.30 1.12 98.88 0.00 1.05 0.04 0.00 0.00 0.00 0.00 98.90 0.01 10 Y E E 7.73 24.36 24.34 48.06 125.74 -169.80 -121.30 135.53 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 11 I E E 13.39 20.15 27.41 46.97 116.60 -158.06 -107.29 124.40 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 12 I E E 5.84 24.07 21.08 45.06 128.98 -175.07 -121.95 144.49 2.59 97.41 0.00 2.59 0.05 0.00 0.00 0.00 0.00 97.03 0.33 13 R C C 58.47 12.77 22.10 35.27 112.47 -106.09 -71.13 135.11 87.32 12.67 0.01 87.77 0.48 0.02 0.00 0.00 0.00 11.47 0.26 14 P C T 52.07 13.82 15.88 30.24 92.59 -121.42 -62.21 -25.35 97.97 1.07 0.96 2.42 7.80 87.69 0.03 1.05 0.00 0.89 0.12 15 N C T 121.66 1.63 20.49 21.45 93.30 60.01 -85.92 2.99 98.93 0.27 0.79 2.97 7.57 88.29 0.03 0.89 0.00 0.19 0.05 16 I C C 29.94 18.73 7.97 25.56 118.26 113.51 -79.46 143.34 98.66 0.98 0.36 49.78 48.51 0.36 0.15 0.15 0.00 0.24 0.82 17 D C C 94.91 1.75 18.72 19.12 116.33 -105.04 -70.91 153.14 99.79 0.09 0.12 99.45 0.34 0.06 0.08 0.01 0.00 0.02 0.05 18 E H H 131.33 4.58 12.24 19.02 91.92 -110.87 -58.21 -38.59 2.09 0.00 97.90 0.30 0.27 1.28 97.63 0.53 0.00 0.00 0.00 19 E H H 142.60 0.93 17.26 16.48 92.06 52.25 -64.48 -39.97 1.27 0.00 98.73 0.13 0.10 0.91 98.18 0.68 0.00 0.00 0.00 20 A H H 36.84 8.19 15.39 25.24 92.14 48.76 -66.01 -40.02 0.65 0.00 99.35 0.12 0.05 0.37 98.82 0.63 0.00 0.00 0.00 21 K H H 41.67 17.86 14.12 31.51 91.52 51.62 -62.81 -42.69 0.37 0.00 99.63 0.08 0.03 0.17 99.59 0.13 0.00 0.00 0.00 22 T H H 72.78 4.21 21.59 25.95 91.79 50.19 -64.15 -41.01 0.30 0.00 99.70 0.05 0.01 0.15 99.74 0.05 0.00 0.00 0.00 23 A H H 48.16 3.23 22.52 25.28 91.46 50.54 -63.52 -41.99 0.27 0.00 99.73 0.03 0.01 0.16 99.76 0.04 0.00 0.00 0.00 24 L H H 13.53 19.09 18.86 38.05 91.66 49.61 -64.19 -43.06 0.28 0.00 99.72 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 25 V H H 17.86 19.45 19.59 38.63 91.39 50.12 -62.74 -43.00 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.01 0.00 0.00 0.00 26 E H H 113.10 2.56 24.89 26.66 91.27 50.55 -63.73 -41.53 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 27 R H H 98.42 7.80 23.35 31.32 91.74 49.72 -64.61 -41.96 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 28 F H H 4.26 25.62 18.40 44.13 91.55 49.32 -64.27 -42.82 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 29 D H H 42.00 14.82 20.89 35.28 91.40 52.11 -62.45 -41.16 0.20 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 30 T H H 72.48 2.35 24.96 25.68 91.74 50.66 -64.58 -41.58 0.37 0.00 99.63 0.03 0.01 0.25 99.68 0.03 0.00 0.00 0.00 31 I H H 22.95 14.21 20.33 35.33 91.69 49.48 -64.19 -43.50 0.48 0.00 99.52 0.03 0.03 0.33 99.56 0.06 0.00 0.00 0.00 32 L H H 3.47 25.74 14.27 40.42 91.59 49.38 -64.18 -42.21 1.03 0.01 98.96 0.15 0.08 0.66 98.86 0.24 0.00 0.00 0.00 33 K H H 122.34 5.88 19.33 26.45 91.95 50.07 -63.76 -40.44 2.01 0.02 97.98 0.26 0.12 1.52 97.33 0.75 0.00 0.01 0.00 34 D H H 112.82 1.62 20.28 21.24 90.88 54.18 -67.02 -25.13 11.56 0.03 88.41 0.26 0.33 11.71 86.86 0.78 0.02 0.01 0.01 35 N C T 47.31 14.37 14.77 29.57 94.96 49.51 -94.41 5.16 87.11 0.03 12.86 0.22 0.99 86.11 12.03 0.62 0.00 0.01 0.02 36 G C T 41.81 4.11 23.11 27.70 97.64 -99.85 89.71 10.58 99.90 0.02 0.09 0.69 1.16 98.10 0.02 0.02 0.00 0.01 0.00 37 A C C 6.31 24.54 9.95 33.96 121.36 138.76 -85.24 150.72 90.79 9.20 0.01 89.74 0.84 0.04 0.00 0.01 0.00 9.24 0.13 38 E E E 106.00 3.50 25.61 28.98 119.18 -142.67 -111.26 135.04 7.50 92.49 0.01 7.18 0.27 0.02 0.00 0.01 0.00 92.34 0.18 39 V E E 46.37 19.76 13.25 32.27 110.29 -126.11 -80.55 121.46 0.61 99.38 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.36 0.02 40 I E E 82.31 6.40 18.90 26.48 101.14 175.35 -95.56 -33.43 1.09 98.90 0.00 0.78 0.14 0.01 0.00 0.00 0.00 99.06 0.00 41 E E E 90.19 4.78 21.88 27.52 138.96 -0.40 -154.66 152.30 0.65 99.35 0.00 0.47 0.06 0.01 0.00 0.00 0.00 99.46 0.00 42 S E E 43.21 19.53 11.65 29.58 130.86 -171.55 -140.42 140.83 1.51 98.48 0.01 1.29 0.08 0.01 0.00 0.00 0.00 98.60 0.01 43 K E E 101.10 5.09 20.42 26.64 129.53 -177.11 -135.06 145.52 5.84 94.14 0.02 4.45 1.03 0.06 0.00 0.01 0.00 94.36 0.09 44 D E E 89.92 7.40 15.86 24.64 112.25 -118.45 -81.80 125.47 15.78 84.18 0.04 13.91 0.99 0.09 0.01 0.03 0.00 84.82 0.15 45 W E E 80.55 14.59 11.65 26.22 107.27 -174.96 -100.13 28.95 32.58 66.55 0.86 26.50 3.76 1.52 0.15 0.63 0.00 67.07 0.37 46 E E E 112.09 3.77 19.04 22.67 120.39 -123.02 -82.96 160.80 26.93 72.22 0.85 10.78 13.37 2.95 0.16 0.62 0.01 71.68 0.43 47 K E E 127.36 6.61 14.73 22.92 114.28 -58.34 -83.34 131.69 14.61 84.16 1.23 11.33 2.41 0.67 0.47 0.55 0.00 84.35 0.22 48 R E E 88.37 11.07 12.70 24.88 127.12 -176.14 -126.82 143.47 5.27 94.28 0.45 4.78 0.41 0.18 0.22 0.15 0.00 94.06 0.19 49 R E E 156.69 2.97 17.25 21.39 114.59 -124.79 -85.94 131.47 4.41 95.40 0.18 4.15 0.23 0.07 0.12 0.05 0.00 95.03 0.34 50 L E E 46.47 16.41 8.55 24.17 113.86 -128.01 -79.96 135.68 31.06 68.72 0.23 29.46 0.98 0.16 0.10 0.09 0.00 68.76 0.46 51 A C E 77.63 2.88 15.61 19.27 96.19 -149.00 -76.97 -21.92 55.30 44.60 0.10 24.37 28.96 1.48 0.01 0.10 0.00 44.82 0.27 52 Y E E 115.13 4.29 15.03 20.64 133.83 38.28 -135.48 158.16 41.56 58.34 0.10 9.73 30.86 1.41 0.01 0.09 0.00 57.54 0.36 53 E E E 129.59 4.13 12.94 18.95 115.30 -110.01 -87.29 132.74 26.13 73.72 0.15 24.80 1.14 0.16 0.04 0.09 0.00 72.94 0.83 54 M E E 62.91 12.12 8.50 21.07 120.90 177.34 -130.75 124.40 17.78 81.82 0.39 13.20 2.66 0.72 0.17 0.30 0.00 68.00 14.94 55 N C T 137.76 1.05 13.11 14.09 93.34 -15.92 52.69 42.49 97.46 1.52 1.02 1.11 6.97 89.47 0.03 1.08 0.00 1.13 0.20 56 G C T 61.57 1.21 13.65 14.74 95.41 -49.97 80.07 1.78 98.25 0.97 0.77 1.47 7.52 89.19 0.02 0.90 0.00 0.82 0.09 57 F E E 74.80 10.74 10.40 22.42 121.49 113.17 -104.63 140.64 15.62 84.27 0.10 13.19 1.88 0.28 0.03 0.08 0.00 81.40 3.14 58 R E E 117.75 7.82 16.44 25.47 110.84 -166.15 -107.97 32.14 11.72 88.27 0.02 10.07 0.92 0.10 0.00 0.01 0.00 88.65 0.25 59 E E E 76.87 9.90 20.19 30.53 127.32 43.73 -122.05 144.62 9.83 90.16 0.02 7.94 1.54 0.11 0.00 0.01 0.00 90.27 0.12 60 G E E 6.87 18.01 17.75 35.85 139.07 171.49 -145.53 173.31 5.31 94.69 0.00 4.33 0.66 0.03 0.00 0.00 0.00 94.93 0.05 61 I E E 25.64 14.96 22.11 37.98 124.47 -109.66 -119.07 139.05 1.14 98.86 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.87 0.02 62 Y E E 34.82 17.65 21.27 38.79 120.16 -153.51 -109.19 131.87 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.01 63 H E E 19.45 18.71 21.31 40.08 124.46 -168.22 -119.96 134.79 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 64 I E E 31.21 14.36 24.18 39.03 117.43 -157.64 -109.71 124.90 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 65 V E E 8.00 22.55 20.04 42.64 121.19 -167.86 -115.83 130.26 0.46 99.54 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.57 0.00 66 N E E 45.28 11.14 26.36 38.03 116.08 -156.28 -104.87 124.86 0.68 99.32 0.00 0.57 0.03 0.00 0.00 0.00 0.00 99.39 0.01 67 V E E 6.40 24.26 17.72 42.20 125.01 -171.67 -120.44 136.19 0.73 99.27 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.28 0.03 68 T E E 50.85 9.47 25.44 35.16 125.29 -168.59 -122.44 138.62 3.41 96.59 0.00 3.06 0.19 0.01 0.00 0.00 0.00 96.53 0.19 69 S C C 12.74 19.92 14.48 34.10 130.35 -170.15 -128.50 147.70 56.70 43.22 0.08 52.76 2.28 0.18 0.02 0.06 0.00 44.21 0.50 70 P C C 75.21 6.20 18.32 25.28 102.54 -117.50 -70.64 -14.45 90.70 7.62 1.69 44.93 26.20 19.48 0.36 1.28 0.00 7.24 0.52 71 S C S 83.05 3.32 17.19 21.28 103.07 -26.13 -93.09 -3.76 94.42 1.30 4.28 32.89 35.56 26.42 1.34 2.56 0.00 0.70 0.53 72 T C C 69.43 7.37 15.42 23.73 114.45 58.54 -102.59 109.17 85.69 1.05 13.27 57.26 20.05 8.34 9.22 4.04 0.00 0.45 0.64 73 A H H 64.46 8.55 14.56 24.15 95.25 -159.86 -64.76 -30.42 42.04 0.35 57.60 14.32 8.33 19.95 52.26 4.76 0.03 0.15 0.20 74 G H H 40.64 3.58 20.01 23.53 93.15 56.57 -64.15 -33.42 33.62 0.32 66.06 10.99 5.64 17.47 61.70 3.84 0.03 0.15 0.17 75 A H H 13.85 16.04 16.57 33.25 92.67 57.48 -65.39 -40.46 12.66 0.23 87.11 7.52 2.07 3.96 83.36 2.88 0.01 0.13 0.07 76 I H H 19.34 20.58 16.70 36.82 91.80 52.33 -63.19 -42.37 3.85 0.09 96.06 1.99 0.59 1.45 94.58 1.32 0.00 0.05 0.02 77 N H H 88.56 3.32 24.05 26.89 91.69 51.04 -63.95 -40.66 2.59 0.05 97.35 1.18 0.33 1.11 96.39 0.93 0.00 0.03 0.01 78 E H H 79.26 6.70 22.62 29.68 91.66 50.24 -64.60 -41.58 2.00 0.03 97.96 0.71 0.23 1.01 97.31 0.72 0.00 0.02 0.01 79 F H H 5.40 25.14 16.44 41.86 91.43 50.20 -64.32 -42.85 1.47 0.02 98.51 0.44 0.16 0.77 98.06 0.55 0.00 0.01 0.00 80 D H H 53.25 14.41 20.19 33.89 91.36 52.39 -62.22 -41.14 1.81 0.02 98.17 0.48 0.16 1.03 97.53 0.78 0.00 0.01 0.00 81 R H H 144.17 1.86 23.99 24.40 91.94 50.59 -64.74 -40.24 3.57 0.04 96.39 0.54 0.27 2.59 94.93 1.63 0.01 0.02 0.01 82 L H H 41.91 13.10 19.49 32.98 92.29 49.98 -66.86 -37.69 5.80 0.06 94.14 0.67 0.49 4.48 92.19 2.10 0.02 0.03 0.02 83 A H H 7.56 23.03 13.29 36.05 92.85 56.38 -70.23 -27.11 25.75 0.57 73.68 4.23 2.51 18.82 70.49 3.36 0.06 0.30 0.22 84 K C T 124.42 5.89 19.70 26.53 95.23 67.42 -71.15 -18.86 60.18 1.97 37.85 12.64 4.82 40.97 35.46 4.25 0.05 1.18 0.64 85 I C C 96.59 6.68 17.00 24.45 97.07 69.02 -82.74 -11.44 71.27 4.64 24.09 28.24 21.25 21.54 21.48 3.34 0.08 2.22 1.85 86 N C C 55.23 12.15 12.66 25.45 125.81 57.23 -120.03 144.55 88.18 4.97 6.86 63.13 16.27 8.39 4.26 2.80 0.00 2.67 2.50 87 D C T 118.21 2.66 17.04 20.89 93.91 -131.47 -71.43 -14.56 93.73 0.95 5.31 6.92 23.07 64.15 1.13 3.80 0.00 0.57 0.36 88 D C T 63.96 11.25 16.87 28.52 95.12 62.79 -85.75 -6.02 92.96 3.02 4.02 11.32 17.83 63.83 0.52 3.53 0.00 2.57 0.39 89 I E E 18.80 21.97 13.14 34.94 114.97 91.37 -94.49 123.77 28.94 70.32 0.73 23.49 5.17 0.93 0.43 0.42 0.00 65.07 4.48 90 I E E 60.52 11.67 21.11 33.04 100.91 -176.23 -91.53 -33.33 24.97 74.65 0.38 21.43 2.60 0.39 0.20 0.15 0.00 74.66 0.57 91 R E E 85.09 10.56 23.19 33.84 133.87 1.23 -144.56 145.19 17.19 82.28 0.53 15.34 1.15 0.32 0.23 0.19 0.00 82.43 0.33 92 H E E 43.56 21.58 15.74 36.17 128.15 -169.27 -131.60 138.50 18.49 80.99 0.52 16.69 1.01 0.24 0.21 0.17 0.00 81.46 0.22 93 M E E 63.93 10.06 23.47 34.07 126.04 -171.59 -126.05 136.30 11.98 87.78 0.24 10.76 0.64 0.14 0.10 0.08 0.00 88.12 0.15 94 I E E 46.42 18.55 16.35 34.31 119.76 -156.88 -110.57 127.70 7.10 92.82 0.08 7.03 0.17 0.04 0.03 0.02 0.00 92.55 0.14 95 V E E 53.44 9.77 19.68 30.51 122.66 -170.76 -118.66 133.78 7.87 92.09 0.04 7.68 0.17 0.03 0.02 0.01 0.00 91.92 0.17 96 K E E 105.32 9.66 15.76 26.40 114.90 -135.96 -90.30 129.47 14.60 85.31 0.09 13.47 0.65 0.11 0.03 0.04 0.00 85.36 0.32 97 V C C 63.17 10.66 11.33 23.05 115.54 -160.42 -100.25 134.64 53.45 46.03 0.52 46.94 3.84 1.01 0.16 0.33 0.00 46.93 0.79 98 E C C 142.35 2.24 12.99 16.44 113.80 -118.93 -86.29 134.43 79.84 19.69 0.47 76.97 1.07 1.33 0.11 0.26 0.00 19.44 0.83 99 A C C 71.29 6.41 11.57 19.45 111.69 -106.03 -77.21 136.15 99.85 0.15 0.01 99.79 0.07 0.03 0.00 0.00 0.00 0.10 0.00