# 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 117.17 5.92 13.22 20.78 114.69 -155.04 -95.25 129.95 99.88 0.11 0.00 99.88 0.04 0.01 0.00 0.00 0.00 0.06 0.00 1 A C C 61.06 7.21 11.70 20.43 120.61 -166.62 -107.62 140.40 76.33 23.25 0.42 74.51 0.85 0.78 0.11 0.19 0.00 22.58 0.98 2 N C E 105.66 4.78 13.91 20.53 117.95 -153.38 -106.87 130.61 51.71 47.89 0.40 40.67 8.45 1.56 0.07 0.34 0.00 48.15 0.77 3 F E E 63.28 14.83 11.93 26.95 125.82 -172.60 -122.65 140.42 24.96 74.82 0.22 22.73 1.42 0.30 0.06 0.14 0.00 74.66 0.69 4 V E E 81.45 6.21 20.06 27.35 120.26 -151.37 -112.94 130.48 16.50 83.33 0.18 15.35 0.82 0.18 0.07 0.09 0.00 82.98 0.51 5 L E E 21.14 22.06 13.03 34.62 122.61 -167.33 -114.88 133.91 17.20 82.64 0.16 13.68 2.94 0.30 0.06 0.08 0.00 82.71 0.23 6 N E E 85.13 5.07 24.71 30.13 117.52 -154.60 -105.14 130.85 16.71 83.13 0.16 13.64 2.01 0.31 0.04 0.08 0.00 83.77 0.15 7 A E E 16.26 23.06 12.50 34.73 132.47 -174.02 -133.53 151.40 11.54 88.16 0.30 10.58 0.75 0.13 0.15 0.10 0.00 88.00 0.29 8 Q E E 87.89 6.56 23.99 31.17 127.39 -164.25 -126.41 141.87 7.62 92.13 0.25 7.04 0.47 0.10 0.14 0.09 0.00 91.55 0.61 9 A E E 43.28 14.47 17.15 31.34 114.78 -112.22 -74.16 138.26 22.94 76.57 0.49 21.59 1.08 0.23 0.21 0.21 0.00 76.02 0.66 10 R C C 55.86 15.26 13.75 29.26 114.51 -135.02 -85.52 135.51 72.96 24.60 2.45 68.02 3.06 0.91 1.14 0.98 0.00 25.07 0.82 11 A C C 69.06 5.41 16.25 22.53 100.27 -140.71 -81.13 -15.86 74.10 7.37 18.53 57.28 10.08 6.93 8.92 9.31 0.00 6.27 1.21 12 E C C 121.75 4.40 14.37 19.93 103.67 62.17 -79.49 10.24 63.68 3.30 33.02 35.24 14.41 14.41 15.78 17.00 0.03 1.96 1.18 13 D C C 89.62 6.49 13.42 21.10 103.91 55.93 -86.96 47.81 62.65 3.20 34.15 34.61 13.86 14.46 15.84 18.15 0.03 1.80 1.25 14 K C C 115.01 7.75 13.22 21.98 104.09 131.87 -87.13 55.49 67.57 3.98 28.46 38.94 15.08 13.84 16.22 12.02 0.04 2.12 1.74 15 Q C C 104.81 7.34 13.53 21.99 108.83 128.76 -88.01 109.93 77.44 3.61 18.94 39.76 18.84 19.30 13.06 5.53 0.03 1.75 1.73 16 G C C 40.32 7.25 13.69 22.06 115.07 11.43 89.86 -2.39 87.61 1.51 10.88 41.42 26.51 19.96 7.11 3.49 0.00 0.63 0.88 17 K C S 132.32 4.27 14.99 20.65 112.88 -56.01 -91.12 141.46 69.49 0.86 29.64 20.14 29.84 19.73 25.80 3.58 0.03 0.29 0.59 18 G H H 41.56 3.81 17.92 22.13 104.43 16.61 44.32 -85.90 41.88 0.56 57.57 10.75 16.16 16.64 52.37 3.46 0.08 0.19 0.34 19 A H H 37.36 10.66 16.92 28.41 93.82 26.41 -66.17 -36.80 15.26 0.32 84.42 5.95 3.25 7.04 79.80 3.59 0.06 0.16 0.15 20 S H H 16.11 17.92 14.56 32.32 92.34 53.36 -64.88 -40.05 9.63 0.31 90.06 5.00 1.57 3.79 86.34 2.98 0.02 0.19 0.11 21 R H H 114.36 5.02 20.26 25.75 92.35 52.79 -64.78 -40.58 4.92 0.20 94.88 2.67 0.84 1.92 92.33 2.05 0.02 0.13 0.05 22 R H H 117.57 3.47 20.82 24.05 92.19 50.83 -64.83 -41.39 3.55 0.23 96.21 1.79 0.64 1.53 94.44 1.39 0.02 0.15 0.05 23 L H H 20.22 17.21 14.24 31.84 92.43 50.27 -65.17 -41.78 3.15 0.26 96.59 1.39 0.47 1.57 94.58 1.72 0.02 0.19 0.05 24 R H H 98.93 12.53 15.56 27.99 92.33 51.73 -63.59 -39.91 3.16 0.10 96.74 0.79 0.32 1.98 94.69 2.11 0.02 0.07 0.02 25 R H H 174.21 1.37 18.19 18.87 91.56 52.03 -66.76 -28.90 11.23 0.08 88.70 0.76 0.68 9.68 86.70 2.04 0.06 0.04 0.03 26 E C T 107.52 4.65 16.83 22.26 95.30 51.54 -88.22 0.37 85.02 0.03 14.95 0.40 1.44 82.99 14.23 0.91 0.00 0.01 0.03 27 S C T 59.07 9.72 17.00 27.65 94.79 -116.12 63.42 32.80 99.87 0.02 0.12 0.79 1.38 97.76 0.03 0.02 0.00 0.01 0.00 28 L E E 43.00 13.98 19.30 33.68 128.10 130.65 -115.59 150.16 46.18 53.81 0.01 43.69 1.47 0.04 0.00 0.01 0.00 54.12 0.66 29 V E E 12.02 21.43 20.77 42.11 115.63 -137.36 -103.66 124.20 4.88 95.12 0.00 4.74 0.12 0.00 0.00 0.00 0.00 95.02 0.11 30 P E E 24.80 15.74 25.39 41.23 115.73 -124.98 -71.08 142.94 2.42 97.58 0.00 2.41 0.04 0.00 0.00 0.00 0.00 97.52 0.03 31 A E E 4.36 24.18 19.99 43.93 136.03 -176.14 -139.84 156.36 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.66 0.00 32 I E E 36.67 13.40 25.54 39.45 118.29 -135.32 -108.39 127.95 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 33 I E E 13.35 21.23 19.05 40.49 118.06 -161.63 -108.60 126.56 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 34 Y E E 78.84 10.78 19.72 31.22 123.05 -168.76 -116.06 138.85 8.34 91.64 0.01 7.20 0.62 0.04 0.00 0.01 0.00 91.95 0.18 35 G C C 28.31 10.75 14.75 26.04 126.01 131.10 -132.50 167.59 76.76 23.10 0.15 61.13 13.32 1.13 0.02 0.16 0.00 23.25 0.98 36 G C T 50.75 3.30 14.32 18.67 111.66 -40.14 66.11 -136.39 98.06 0.95 0.99 4.41 42.62 51.06 0.04 1.05 0.00 0.60 0.21 37 N C T 145.09 0.58 13.23 12.53 97.92 -17.89 -91.53 10.06 98.59 0.45 0.96 4.41 40.86 53.23 0.04 1.06 0.00 0.27 0.13 38 A C S 55.94 6.50 10.02 18.49 125.24 95.83 -101.29 157.95 93.40 5.90 0.69 16.94 74.07 2.88 0.10 0.53 0.00 3.74 1.75 39 E C C 143.13 1.72 17.30 18.91 114.73 -94.38 -73.29 140.68 93.70 6.24 0.06 79.00 14.34 0.37 0.01 0.06 0.00 5.76 0.46 40 P C C 59.66 15.11 11.41 26.17 115.27 -106.25 -65.49 145.02 86.88 13.09 0.03 84.66 1.86 0.12 0.01 0.03 0.00 13.01 0.31 41 V E E 45.73 12.00 18.92 31.89 123.68 -158.40 -118.64 136.69 8.43 91.56 0.02 7.25 1.28 0.04 0.00 0.01 0.00 90.87 0.56 42 A E E 41.32 13.65 20.67 34.22 118.57 -133.06 -91.35 137.61 1.44 98.56 0.00 1.30 0.10 0.00 0.00 0.00 0.00 98.57 0.02 43 V E E 9.87 21.38 19.34 40.84 126.57 -170.45 -124.54 141.31 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 44 T E E 39.25 14.79 24.10 38.56 126.03 -158.10 -119.23 138.92 0.32 99.68 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 45 L E E 9.07 22.33 18.50 40.92 130.17 -174.69 -130.96 146.16 1.44 98.56 0.00 1.34 0.03 0.00 0.00 0.00 0.00 98.58 0.04 46 E E E 76.27 7.18 25.15 32.90 112.20 -109.49 -72.22 135.98 17.45 82.52 0.02 17.70 0.23 0.01 0.01 0.01 0.00 81.78 0.26 47 L H H 31.61 20.29 14.94 34.97 91.81 -126.87 -58.36 -39.04 1.54 0.01 98.45 0.28 0.15 0.95 97.48 1.14 0.00 0.01 0.00 48 R H H 146.18 2.82 23.03 26.01 91.29 55.06 -63.23 -39.19 0.44 0.00 99.56 0.05 0.03 0.32 98.50 1.10 0.00 0.00 0.00 49 E H H 67.67 9.67 21.44 31.53 92.02 49.83 -66.25 -40.39 0.30 0.00 99.70 0.03 0.02 0.20 98.26 1.47 0.00 0.00 0.00 50 L H H 2.69 26.35 16.06 42.90 91.30 50.74 -63.93 -43.46 0.39 0.00 99.61 0.06 0.02 0.24 99.19 0.49 0.00 0.00 0.00 51 V H H 40.74 12.59 20.85 33.77 91.37 51.37 -63.02 -42.32 0.50 0.00 99.50 0.08 0.03 0.29 99.22 0.38 0.00 0.00 0.00 52 K H H 111.95 2.57 24.19 25.67 91.70 51.06 -64.25 -40.98 0.98 0.01 99.01 0.12 0.06 0.68 98.46 0.68 0.00 0.00 0.00 53 A H H 12.30 16.22 16.87 34.05 91.78 51.39 -64.62 -40.64 2.04 0.01 97.94 0.26 0.13 1.45 97.16 0.99 0.00 0.01 0.00 54 L H H 33.31 18.81 16.03 34.08 92.69 51.32 -68.87 -33.87 7.59 0.04 92.37 0.86 0.56 5.82 91.59 1.12 0.01 0.02 0.02 55 E H H 126.22 3.59 18.98 23.10 93.63 52.37 -72.79 -23.66 23.66 0.12 76.22 2.29 2.49 18.49 75.32 1.25 0.04 0.04 0.07 56 S C T 57.83 5.37 14.98 21.56 106.42 63.05 -89.28 83.91 66.20 0.71 33.09 12.02 21.23 32.47 30.81 2.71 0.04 0.24 0.48 57 N C T 102.05 7.46 14.74 23.35 95.53 -127.64 -57.53 -5.16 74.56 0.78 24.66 18.13 14.51 42.54 12.80 11.09 0.01 0.36 0.55 58 A C C 45.94 8.10 16.22 25.76 94.40 91.49 -70.21 -23.27 70.73 1.81 27.46 30.23 13.52 27.80 8.61 18.03 0.01 0.98 0.83 59 F C C 51.38 16.42 14.56 30.52 98.36 59.26 -84.47 -15.94 62.81 5.69 31.50 33.72 12.38 18.26 7.10 23.29 0.02 3.82 1.40 60 F C C 81.17 13.17 16.31 29.28 98.72 78.13 -77.45 -19.01 62.84 13.01 24.16 24.58 19.72 21.65 5.20 17.00 0.15 9.48 2.22 61 E C E 120.89 4.53 20.31 25.16 101.05 39.02 -96.77 4.36 51.14 30.03 18.84 25.28 12.09 16.59 3.22 13.96 0.05 27.48 1.31 62 E E E 60.36 13.11 15.70 29.38 123.45 108.62 -98.14 146.96 48.10 49.64 2.25 32.21 13.90 2.72 0.52 1.46 0.00 48.50 0.69 63 V E E 65.18 9.55 20.72 30.89 115.95 -127.38 -94.50 129.17 13.71 86.14 0.14 12.35 0.83 0.12 0.05 0.06 0.00 86.39 0.19 64 V E E 10.34 22.00 15.16 37.35 123.31 -167.28 -116.27 135.40 1.26 98.71 0.03 1.18 0.05 0.01 0.01 0.01 0.00 98.70 0.04 65 E E E 79.19 7.50 24.50 32.46 115.81 -146.61 -101.62 125.64 0.46 99.53 0.01 0.42 0.01 0.00 0.00 0.00 0.00 99.55 0.01 66 I E E 9.01 23.01 13.80 37.17 120.79 -167.76 -114.24 130.85 0.76 99.23 0.01 0.67 0.03 0.01 0.00 0.00 0.00 99.27 0.01 67 K E E 99.74 5.45 21.40 27.46 114.54 -150.85 -103.54 122.93 2.01 97.97 0.02 1.69 0.14 0.03 0.01 0.01 0.00 98.09 0.04 68 V E E 27.89 17.09 10.79 27.64 114.15 -177.70 -123.89 108.09 8.98 90.92 0.09 6.57 1.72 0.39 0.02 0.06 0.00 90.92 0.32 69 G C T 53.37 1.99 14.70 17.26 108.81 -52.54 61.69 -127.37 99.03 0.71 0.26 1.05 10.11 87.93 0.01 0.27 0.00 0.58 0.06 70 D C T 138.11 0.42 12.86 11.58 96.66 -20.23 -90.01 4.11 99.49 0.32 0.19 1.07 10.17 88.25 0.01 0.21 0.00 0.26 0.03 71 K E E 113.18 4.02 12.67 18.81 124.33 88.91 -107.67 144.59 10.79 89.17 0.04 7.56 2.64 0.27 0.01 0.03 0.00 89.26 0.22 72 V E E 86.40 8.50 12.81 23.06 121.21 -152.65 -113.69 133.05 3.10 96.90 0.00 2.59 0.15 0.01 0.00 0.00 0.00 97.23 0.03 73 E E E 56.22 12.02 16.13 29.32 129.61 -175.13 -130.57 145.34 1.40 98.59 0.00 1.18 0.06 0.01 0.00 0.00 0.00 98.74 0.01 74 N E E 83.12 7.39 22.68 30.46 116.09 -124.28 -86.92 135.48 0.99 99.01 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.10 0.01 75 V E E 4.90 23.96 15.72 40.22 134.90 174.00 -138.41 155.33 0.66 99.34 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.01 76 K E E 60.78 9.19 26.38 36.68 116.99 -129.41 -101.73 130.50 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 77 I E E 6.11 24.97 15.45 41.51 109.86 -123.39 -77.50 124.26 0.67 99.33 0.00 0.67 0.01 0.00 0.00 0.00 0.00 99.31 0.01 78 Q E E 78.45 7.37 23.28 31.36 100.32 175.92 -95.62 -32.54 2.11 97.89 0.00 1.44 0.47 0.03 0.00 0.00 0.00 98.05 0.01 79 A E E 36.20 7.37 24.96 33.39 142.57 -1.94 -157.89 155.56 0.97 99.03 0.00 0.75 0.07 0.01 0.00 0.00 0.00 99.17 0.01 80 L E E 33.17 21.72 15.27 36.14 126.05 -153.91 -128.42 134.30 0.79 99.21 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.25 0.01 81 Q E E 61.42 9.47 21.56 31.73 127.36 -172.21 -127.64 141.89 1.70 98.30 0.00 1.35 0.16 0.01 0.00 0.00 0.00 98.44 0.03 82 R E E 106.61 10.58 15.93 27.35 118.97 -141.47 -102.03 133.54 5.29 94.70 0.01 4.72 0.42 0.02 0.00 0.00 0.00 94.22 0.62 83 H C C 47.09 11.21 10.74 23.79 109.40 -119.09 -76.91 123.43 73.04 26.92 0.03 71.45 1.05 0.10 0.01 0.02 0.00 26.70 0.67 84 P C T 98.35 3.39 12.42 17.41 93.48 -144.10 -64.06 -27.97 98.59 0.19 1.23 0.82 10.23 87.37 0.02 1.39 0.00 0.12 0.04 85 A C T 90.08 1.21 12.21 13.32 97.65 46.63 -77.83 -35.67 98.28 0.29 1.43 0.84 10.55 86.71 0.02 1.60 0.00 0.17 0.10 86 K C T 116.54 3.43 11.74 16.34 103.34 21.27 -105.73 -1.39 97.39 0.82 1.79 4.31 19.02 73.58 0.05 2.30 0.00 0.51 0.23 87 N C T 111.11 4.59 13.26 19.54 96.70 -131.87 51.34 30.44 98.74 0.91 0.34 33.78 23.29 41.67 0.04 0.37 0.00 0.70 0.16 88 T C C 52.01 7.78 17.25 26.52 127.74 113.95 -119.69 149.94 71.50 28.42 0.07 43.17 29.14 0.53 0.01 0.08 0.00 25.61 1.46 89 P E E 25.94 18.48 15.91 34.40 112.82 -106.35 -68.40 140.33 11.13 88.85 0.02 10.19 0.72 0.05 0.01 0.01 0.00 87.15 1.88 90 M E E 54.13 12.65 21.00 33.90 102.37 -162.24 -99.68 -24.34 8.94 91.05 0.01 4.24 4.37 0.12 0.00 0.01 0.00 91.21 0.05 91 H E E 59.02 11.61 23.93 35.79 139.98 -1.86 -151.75 151.95 0.75 99.25 0.00 0.57 0.06 0.00 0.00 0.00 0.00 99.35 0.01 92 A E E 5.03 24.30 17.14 41.70 127.63 -165.28 -129.76 139.92 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 93 D E E 38.97 9.95 26.19 36.97 120.46 -160.82 -113.25 131.88 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 94 F E E 12.69 24.11 16.44 40.58 125.20 -165.59 -119.98 138.03 0.19 99.81 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 95 K E E 83.39 8.36 23.46 32.20 125.78 -170.29 -124.74 139.88 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 96 R E E 104.83 12.60 16.13 28.75 113.64 -117.11 -77.60 132.96 5.29 94.71 0.00 5.31 0.08 0.01 0.00 0.00 0.00 94.27 0.33 97 A C C 40.19 13.73 14.74 28.44 110.29 -133.19 -82.12 132.42 99.63 0.37 0.00 99.69 0.03 0.00 0.00 0.00 0.00 0.27 0.01