# 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 116.99 5.96 13.33 20.91 114.67 -155.23 -95.39 129.88 99.88 0.12 0.00 99.88 0.04 0.01 0.00 0.00 0.00 0.07 0.00 1 A C C 60.22 7.39 11.76 20.64 121.17 -167.28 -108.55 141.62 74.30 25.31 0.39 72.46 0.84 0.72 0.10 0.18 0.00 24.71 0.97 2 N E E 105.18 4.84 14.03 20.70 118.18 -153.29 -107.32 131.02 48.70 50.94 0.36 38.56 7.79 1.35 0.06 0.31 0.00 51.18 0.75 3 F E E 62.68 14.88 11.97 27.06 125.96 -172.05 -122.97 140.60 22.75 77.05 0.20 20.73 1.29 0.26 0.06 0.12 0.00 76.88 0.67 4 V E E 80.58 6.25 20.10 27.43 120.19 -151.23 -112.62 130.48 15.28 84.56 0.16 14.15 0.78 0.16 0.06 0.08 0.00 84.30 0.46 5 L E E 21.23 22.02 13.08 34.68 122.53 -167.80 -114.92 134.01 16.27 83.56 0.17 12.81 2.87 0.30 0.06 0.08 0.00 83.68 0.21 6 N E E 84.92 5.11 24.74 30.22 117.65 -154.69 -106.90 130.67 15.91 83.90 0.19 12.98 1.88 0.32 0.06 0.09 0.00 84.53 0.14 7 A E E 16.16 23.09 12.58 34.84 132.43 -175.88 -133.45 151.29 11.57 88.00 0.42 10.57 0.77 0.15 0.25 0.13 0.00 87.84 0.28 8 Q E E 87.12 6.68 24.04 31.33 127.54 -165.08 -126.42 141.91 7.33 92.34 0.33 6.75 0.46 0.10 0.20 0.11 0.00 91.79 0.58 9 A E E 41.69 14.77 17.13 31.60 114.99 -113.97 -74.44 137.96 21.66 77.83 0.51 20.38 1.05 0.22 0.24 0.21 0.00 77.23 0.67 10 R C C 57.23 15.02 14.10 29.42 114.58 -132.31 -86.27 134.90 72.63 25.14 2.23 67.69 3.04 0.85 1.14 0.84 0.00 25.62 0.81 11 A C C 66.58 5.87 16.25 22.99 101.87 -136.49 -82.86 -6.93 76.19 8.26 15.55 60.50 9.74 6.08 8.06 7.14 0.00 7.21 1.27 12 E C C 118.79 4.94 14.17 20.30 103.81 60.70 -76.60 -5.51 64.35 3.54 32.10 37.59 13.93 13.20 16.21 15.68 0.03 2.16 1.20 13 D C C 94.14 5.52 13.75 20.56 102.95 54.47 -86.92 33.11 62.55 3.71 33.73 35.24 13.74 13.92 16.05 17.51 0.03 2.16 1.35 14 K C C 114.84 7.75 13.10 21.82 105.49 119.21 -88.32 65.25 66.66 4.55 28.79 39.70 13.99 13.15 15.87 12.85 0.03 2.56 1.85 15 Q C C 103.80 7.47 13.20 21.83 110.82 139.52 -88.45 114.43 78.15 3.89 17.95 41.60 17.85 19.05 12.12 5.59 0.02 1.96 1.81 16 G C C 41.42 6.74 13.61 21.59 115.27 9.59 94.97 -3.23 88.42 1.65 9.93 41.37 26.51 20.88 6.22 3.41 0.00 0.71 0.90 17 K C S 133.71 3.97 14.78 20.16 115.96 -58.22 -97.07 143.99 73.47 0.95 25.58 23.02 32.93 17.61 21.97 3.46 0.02 0.32 0.66 18 G H H 42.52 3.55 17.72 21.63 106.82 12.78 55.35 -106.20 42.46 0.58 56.96 10.97 17.71 15.36 51.81 3.52 0.08 0.20 0.35 19 A H H 39.43 10.42 16.73 27.99 93.70 13.96 -66.10 -35.80 15.50 0.34 84.16 5.83 3.31 7.30 79.03 4.13 0.07 0.18 0.16 20 S H H 16.43 17.61 14.43 31.97 92.41 53.69 -64.98 -39.73 9.91 0.34 89.74 5.02 1.63 4.00 85.34 3.65 0.03 0.22 0.11 21 R H H 112.59 5.14 20.02 25.63 92.24 52.47 -64.62 -40.53 5.44 0.24 94.32 2.95 0.94 2.11 91.21 2.56 0.02 0.16 0.06 22 R H H 116.81 3.54 20.68 24.04 92.19 50.87 -64.78 -41.37 4.20 0.31 95.49 2.18 0.77 1.74 93.29 1.72 0.02 0.20 0.07 23 L H H 20.27 17.26 14.19 31.84 92.27 50.26 -65.07 -41.63 3.84 0.36 95.80 1.77 0.60 1.85 93.35 2.06 0.03 0.27 0.07 24 R H H 100.32 12.38 15.65 27.96 92.25 51.67 -63.62 -39.73 4.00 0.14 95.86 1.08 0.44 2.45 93.33 2.53 0.03 0.10 0.04 25 R H H 172.97 1.45 18.18 19.04 91.86 51.86 -66.89 -29.72 11.92 0.10 87.98 0.99 0.84 9.96 85.72 2.32 0.07 0.05 0.05 26 E C T 107.48 4.74 16.91 22.42 95.56 50.25 -88.81 -0.31 81.71 0.06 18.23 0.69 2.01 78.24 17.74 1.27 0.00 0.02 0.05 27 S C T 58.98 9.81 17.05 27.73 94.93 -116.07 63.08 33.71 99.79 0.04 0.17 1.51 1.84 96.54 0.05 0.03 0.00 0.02 0.01 28 L C E 42.09 14.23 19.21 33.81 127.82 132.18 -115.65 149.68 50.22 49.76 0.01 47.37 1.63 0.05 0.00 0.01 0.00 50.30 0.63 29 V E E 12.84 21.09 20.81 41.85 115.30 -135.85 -102.62 123.95 4.90 95.10 0.00 4.74 0.13 0.00 0.00 0.00 0.00 95.01 0.12 30 P E E 25.55 15.61 25.28 41.01 115.52 -125.46 -70.85 142.14 1.97 98.03 0.00 1.97 0.03 0.00 0.00 0.00 0.00 97.98 0.02 31 A E E 4.59 24.13 19.92 43.75 135.95 -174.57 -139.74 155.71 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 32 I E E 37.15 13.36 25.46 39.31 117.98 -135.99 -108.59 127.85 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 33 I E E 13.63 21.18 18.95 40.32 118.08 -161.82 -108.45 126.28 0.65 99.35 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.02 34 Y E E 81.54 10.69 19.65 31.03 122.88 -169.42 -116.65 138.09 10.47 89.51 0.02 8.99 0.86 0.07 0.00 0.01 0.00 89.86 0.22 35 G C C 30.00 10.37 14.75 25.70 123.07 145.48 -128.71 156.08 77.82 22.01 0.17 61.69 13.61 1.36 0.03 0.18 0.00 22.19 0.94 36 G C S 49.72 3.37 14.04 18.56 113.26 -41.51 70.49 -140.21 97.84 1.08 1.08 5.74 47.61 44.53 0.05 1.14 0.00 0.69 0.24 37 N C S 144.73 0.61 13.11 12.58 98.05 -18.74 -90.54 8.87 98.39 0.49 1.12 5.17 46.59 46.57 0.05 1.19 0.00 0.28 0.14 38 A C S 58.46 5.91 10.24 18.16 125.47 93.76 -100.37 159.22 94.17 4.98 0.85 15.22 75.70 3.68 0.11 0.66 0.00 3.24 1.41 39 E C C 143.57 1.71 17.09 18.74 114.64 -91.44 -73.22 140.66 93.38 6.53 0.09 75.61 17.30 0.51 0.02 0.08 0.00 5.97 0.51 40 P C C 59.86 15.01 11.22 25.89 115.46 -106.74 -65.62 144.93 85.39 14.56 0.04 83.12 1.83 0.13 0.01 0.03 0.00 14.55 0.34 41 V E E 46.72 11.80 18.73 31.55 122.99 -158.12 -117.16 135.23 7.92 92.06 0.02 6.77 1.22 0.04 0.00 0.01 0.00 91.47 0.48 42 A E E 43.56 13.22 20.53 33.66 117.95 -132.80 -89.70 137.48 1.39 98.61 0.00 1.22 0.11 0.00 0.00 0.00 0.00 98.65 0.02 43 V E E 10.18 21.22 19.00 40.36 127.12 -171.16 -125.13 142.52 0.53 99.47 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 44 T E E 39.98 14.51 23.90 38.16 125.95 -158.00 -118.52 139.17 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.01 45 L E E 9.35 22.13 18.30 40.54 130.44 -175.11 -131.29 146.19 1.33 98.66 0.00 1.25 0.03 0.00 0.00 0.00 0.00 98.67 0.04 46 E E E 77.13 6.98 25.04 32.54 112.10 -109.85 -71.96 136.65 17.30 82.68 0.02 17.52 0.23 0.01 0.01 0.01 0.00 81.97 0.25 47 L H H 32.43 20.14 14.81 34.69 91.66 -126.00 -58.29 -38.93 1.48 0.01 98.51 0.26 0.14 0.92 97.36 1.31 0.00 0.01 0.00 48 R H H 146.34 2.83 22.77 25.75 91.29 55.11 -63.33 -39.22 0.43 0.00 99.57 0.05 0.02 0.31 98.29 1.32 0.00 0.00 0.00 49 E H H 70.29 9.34 21.34 31.11 92.02 49.76 -66.28 -40.29 0.28 0.00 99.72 0.04 0.01 0.20 98.06 1.69 0.00 0.00 0.00 50 L H H 3.11 26.06 15.93 42.41 91.34 50.75 -63.86 -43.44 0.46 0.00 99.54 0.08 0.03 0.28 98.88 0.73 0.00 0.00 0.00 51 V H H 41.06 12.51 20.60 33.49 91.50 51.32 -63.05 -42.23 0.72 0.01 99.28 0.13 0.05 0.43 98.69 0.70 0.00 0.00 0.00 52 K H H 111.68 2.58 23.85 25.36 91.71 51.18 -64.25 -40.83 1.39 0.01 98.59 0.18 0.08 0.98 97.60 1.14 0.00 0.01 0.00 53 A H H 13.14 15.85 16.71 33.56 91.81 51.26 -64.58 -40.60 2.74 0.02 97.24 0.37 0.19 1.97 95.97 1.48 0.00 0.01 0.00 54 L H H 32.86 18.79 15.82 33.89 92.70 51.06 -69.09 -33.42 9.76 0.07 90.17 1.25 0.77 7.38 89.05 1.47 0.01 0.03 0.02 55 E H H 125.14 3.69 18.64 22.91 93.70 53.45 -73.81 -23.34 27.64 0.17 72.19 3.06 3.12 20.96 71.17 1.50 0.04 0.07 0.09 56 S C T 59.12 5.32 14.73 21.22 105.81 66.07 -89.63 80.59 67.52 0.72 31.75 13.81 22.19 30.83 29.86 2.57 0.03 0.25 0.46 57 N C T 102.17 7.56 14.31 23.00 96.28 -133.15 -53.19 -1.66 80.26 1.10 18.65 25.06 18.87 37.12 9.66 8.15 0.01 0.53 0.61 58 V C C 70.51 7.45 16.44 25.02 97.74 100.62 -75.23 -19.85 76.12 3.21 20.67 38.76 15.39 22.81 7.32 12.66 0.01 1.94 1.11 59 F C C 56.24 15.71 14.46 29.79 99.02 64.94 -84.34 -16.36 68.57 8.66 22.77 41.68 12.94 14.92 5.89 16.38 0.02 6.36 1.81 60 F C C 78.58 13.28 15.89 29.02 100.56 75.54 -79.11 -17.07 66.20 16.55 17.26 28.10 21.90 19.19 3.82 11.93 0.10 12.77 2.20 61 E C E 118.72 5.16 19.84 25.40 100.29 40.44 -95.95 5.34 51.54 34.87 13.59 26.47 13.24 14.53 2.40 9.89 0.04 32.19 1.25 62 E E E 62.55 12.60 15.99 29.22 123.45 105.51 -100.44 148.33 45.86 51.93 2.21 29.58 14.18 2.81 0.47 1.45 0.00 50.90 0.61 63 V E E 64.61 9.81 20.35 30.76 116.05 -125.00 -96.15 129.12 13.34 86.51 0.15 11.90 0.89 0.13 0.05 0.07 0.00 86.79 0.18 64 V E E 10.73 21.77 15.22 37.17 123.09 -167.76 -116.40 135.30 1.26 98.71 0.03 1.19 0.05 0.01 0.01 0.01 0.00 98.70 0.03 65 E E E 78.82 7.47 24.44 32.38 115.46 -145.74 -101.67 125.19 0.45 99.54 0.01 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 66 I E E 9.04 22.99 13.82 37.16 120.71 -167.62 -114.03 130.51 0.72 99.27 0.01 0.64 0.03 0.01 0.00 0.00 0.00 99.31 0.01 67 K E E 98.79 5.49 21.45 27.55 114.71 -152.00 -104.18 123.06 1.79 98.19 0.02 1.50 0.12 0.02 0.00 0.00 0.00 98.31 0.03 68 V E E 27.38 17.18 10.84 27.78 114.11 -177.53 -123.75 108.48 8.28 91.64 0.08 5.97 1.62 0.38 0.02 0.05 0.00 91.66 0.30 69 G C T 53.07 2.05 14.72 17.37 108.94 -51.35 61.61 -127.74 99.08 0.68 0.25 0.97 9.52 88.65 0.01 0.25 0.00 0.55 0.06 70 D C T 138.06 0.43 12.87 11.60 96.63 -21.04 -89.85 4.15 99.52 0.30 0.18 0.99 9.57 88.97 0.01 0.19 0.00 0.25 0.02 71 K E E 113.47 3.99 12.68 18.79 124.11 89.21 -107.12 144.30 10.24 89.72 0.04 7.15 2.53 0.25 0.01 0.03 0.00 89.81 0.22 72 V E E 86.82 8.41 12.78 22.97 121.03 -152.46 -112.92 133.02 3.13 96.87 0.00 2.61 0.15 0.01 0.00 0.00 0.00 97.20 0.03 73 E E E 56.33 12.02 16.01 29.22 129.43 -174.87 -130.21 145.07 1.47 98.53 0.00 1.24 0.06 0.01 0.00 0.00 0.00 98.69 0.01 74 N E E 83.89 7.26 22.61 30.29 116.31 -125.86 -86.81 135.34 1.03 98.97 0.00 0.89 0.03 0.00 0.00 0.00 0.00 99.07 0.01 75 V E E 5.17 23.82 15.63 39.95 134.94 174.54 -139.27 155.50 0.66 99.34 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.40 0.01 76 K E E 61.78 9.05 26.28 36.43 116.97 -128.64 -101.51 130.66 0.26 99.74 0.00 0.23 0.01 0.00 0.00 0.00 0.00 99.76 0.00 77 I E E 6.48 24.86 15.39 41.29 109.86 -123.55 -77.68 124.23 0.68 99.32 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.29 0.01 78 Q E E 78.66 7.36 23.20 31.27 100.36 175.89 -95.55 -32.25 2.40 97.59 0.00 1.63 0.56 0.03 0.00 0.00 0.00 97.76 0.01 79 A E E 36.51 7.31 24.93 33.29 142.52 -2.01 -158.01 155.82 1.16 98.83 0.00 0.91 0.09 0.01 0.00 0.00 0.00 98.99 0.01 80 L E E 33.90 21.71 15.17 36.00 125.90 -151.99 -128.69 134.67 0.90 99.10 0.00 0.81 0.03 0.00 0.00 0.00 0.00 99.14 0.02 81 Q E E 62.68 9.31 21.61 31.61 127.31 -172.73 -128.03 141.69 1.74 98.25 0.00 1.39 0.17 0.01 0.00 0.00 0.00 98.39 0.03 82 R E E 107.03 10.59 15.75 27.19 118.95 -139.93 -100.82 133.08 5.54 94.46 0.01 4.94 0.44 0.02 0.00 0.00 0.00 93.95 0.64 83 H C C 48.08 11.09 10.67 23.62 109.59 -119.32 -76.30 123.96 74.64 25.33 0.03 73.09 1.04 0.10 0.01 0.02 0.00 25.09 0.65 84 P C T 99.42 3.19 12.33 17.13 93.43 -143.95 -63.97 -27.99 98.59 0.18 1.23 0.80 10.20 87.43 0.02 1.39 0.00 0.12 0.04 85 A C T 90.50 1.13 12.17 13.14 97.56 46.95 -77.68 -35.63 98.26 0.31 1.44 0.84 10.59 86.68 0.03 1.59 0.00 0.17 0.11 86 K C T 116.23 3.48 11.75 16.42 103.67 21.89 -106.28 -1.43 97.44 0.74 1.82 4.12 19.24 73.61 0.05 2.30 0.00 0.45 0.22 87 N C T 110.20 4.75 13.30 19.74 96.75 -131.47 49.65 30.65 98.75 0.90 0.36 32.90 23.62 42.21 0.04 0.38 0.00 0.67 0.16 88 T C C 51.26 7.88 17.35 26.72 128.63 113.39 -120.14 150.20 71.73 28.19 0.07 43.53 28.94 0.55 0.01 0.08 0.00 25.40 1.49 89 P E E 24.71 18.78 15.90 34.67 112.82 -106.38 -68.51 139.78 10.93 89.05 0.02 10.04 0.67 0.04 0.01 0.01 0.00 87.42 1.80 90 M E E 55.11 12.42 21.06 33.77 102.35 -164.42 -99.32 -25.26 8.75 91.24 0.01 4.21 4.23 0.11 0.00 0.01 0.00 91.38 0.05 91 H E E 59.87 11.39 24.02 35.69 139.84 -1.92 -152.19 152.00 0.76 99.24 0.00 0.58 0.06 0.00 0.00 0.00 0.00 99.34 0.01 92 A E E 4.97 24.37 16.96 41.61 127.69 -165.60 -130.29 140.14 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.00 93 D E E 39.98 9.76 26.19 36.79 120.65 -160.70 -113.96 131.56 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 94 F E E 13.21 24.01 16.31 40.32 125.55 -166.43 -120.32 138.35 0.17 99.83 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 95 K E E 84.32 8.20 23.40 32.01 126.14 -170.08 -124.14 139.09 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 96 R E E 104.30 12.69 15.98 28.69 113.86 -117.62 -78.29 132.96 5.22 94.77 0.01 5.25 0.07 0.01 0.00 0.00 0.00 94.35 0.31 97 A C C 40.65 13.45 14.82 28.32 110.36 -133.88 -82.72 131.43 99.59 0.41 0.00 99.65 0.03 0.00 0.00 0.00 0.00 0.30 0.01