# 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 108.30 7.04 10.61 18.93 114.84 -149.48 -91.59 129.29 99.90 0.08 0.02 99.85 0.07 0.03 0.01 0.00 0.00 0.03 0.01 1 K C C 140.13 3.11 10.30 15.23 115.61 -154.18 -95.98 132.69 86.02 5.51 8.46 81.61 1.14 3.91 6.33 1.62 0.00 3.33 2.07 2 K C C 143.07 3.12 9.69 14.70 113.42 -138.89 -91.81 129.00 79.20 7.70 13.10 60.17 10.74 7.54 10.71 3.29 0.01 5.20 2.34 3 I C C 94.27 6.81 8.60 16.88 114.34 -155.74 -95.31 133.06 77.45 4.65 17.91 59.05 11.23 6.20 15.89 3.29 0.01 2.84 1.49 4 N C C 94.91 3.39 12.59 17.08 112.49 -141.80 -89.39 137.02 77.07 2.01 20.91 62.63 7.27 5.64 20.13 2.54 0.00 1.03 0.76 5 K H H 122.28 6.30 11.88 19.33 96.35 -122.88 -68.81 -28.71 32.39 0.55 67.06 19.47 6.51 7.47 63.64 2.44 0.01 0.24 0.22 6 Q H H 107.40 4.06 13.90 19.00 94.20 61.26 -68.19 -36.82 17.15 0.30 82.56 8.83 3.24 5.70 79.97 1.99 0.01 0.13 0.12 7 A H H 57.16 3.39 15.30 19.36 93.99 51.94 -66.92 -39.60 10.49 0.37 89.14 6.66 1.59 3.02 86.82 1.58 0.01 0.21 0.12 8 L H H 63.04 7.47 15.08 23.94 93.00 51.24 -65.44 -42.02 3.82 0.13 96.04 2.30 0.55 1.26 95.09 0.69 0.00 0.07 0.04 9 I H H 55.45 9.33 15.19 25.80 92.43 50.16 -64.64 -41.98 1.59 0.06 98.35 0.84 0.21 0.60 97.97 0.32 0.00 0.03 0.01 10 D H H 76.02 3.66 17.90 22.00 92.18 50.79 -64.77 -40.68 1.26 0.05 98.69 0.61 0.14 0.51 98.46 0.24 0.00 0.03 0.01 11 L H H 75.74 3.75 17.51 21.94 92.16 50.58 -64.82 -41.90 1.30 0.04 98.65 0.52 0.14 0.61 98.46 0.23 0.00 0.03 0.01 12 V H H 46.68 8.40 15.92 25.83 92.76 49.51 -65.16 -42.14 1.59 0.05 98.37 0.57 0.18 0.79 98.14 0.27 0.00 0.02 0.01 13 E H H 78.47 8.28 15.87 25.18 92.46 50.26 -64.52 -40.99 2.63 0.05 97.32 0.85 0.30 1.41 97.01 0.38 0.01 0.02 0.02 14 Q H H 105.37 3.18 17.08 20.73 92.77 49.66 -66.08 -40.07 5.86 0.07 94.07 1.25 0.65 3.95 93.18 0.89 0.02 0.03 0.04 15 K H H 116.21 2.94 16.93 20.10 93.74 48.23 -67.86 -39.21 14.50 0.09 85.41 1.90 1.35 11.28 83.92 1.43 0.02 0.03 0.05 16 Q H H 74.21 7.73 14.47 23.47 94.33 48.90 -70.47 -32.85 32.85 0.29 66.87 6.25 3.98 23.07 63.95 2.42 0.04 0.12 0.17 17 L H H 65.70 10.31 12.67 23.97 95.00 60.32 -69.00 -29.29 47.32 1.16 51.52 23.66 7.96 16.91 40.50 9.75 0.04 0.56 0.62 18 K C C 127.42 4.38 14.38 20.10 95.98 61.42 -73.27 -21.32 54.00 1.44 44.56 29.38 7.69 16.73 28.51 16.21 0.03 0.74 0.71 19 A C C 72.70 3.75 14.24 18.99 99.17 65.57 -81.12 -20.77 63.30 1.43 35.26 27.38 14.96 21.41 17.29 17.42 0.03 0.65 0.85 20 Y C C 138.65 5.82 14.69 21.62 105.85 43.25 -95.37 26.49 75.32 1.70 22.98 41.71 13.79 20.03 8.64 14.03 0.01 0.80 0.99 21 V C C 50.28 15.45 11.51 26.75 116.23 146.05 -96.54 127.21 98.63 0.88 0.48 63.83 34.24 0.64 0.26 0.17 0.00 0.28 0.57 22 P C C 49.01 10.72 15.96 27.88 115.46 -116.10 -68.29 150.73 99.14 0.30 0.56 92.06 4.84 2.33 0.10 0.41 0.00 0.15 0.12 23 E C C 127.92 4.70 20.88 26.60 111.51 -112.39 -79.19 129.68 97.81 1.39 0.80 87.20 7.29 3.07 0.12 0.79 0.00 0.53 0.99 24 F C C 20.19 23.12 10.92 33.27 124.02 -163.79 -112.20 140.88 97.02 2.87 0.11 93.53 3.05 0.15 0.04 0.05 0.00 0.65 2.53 25 S C C 55.73 4.10 24.49 28.38 131.19 -162.42 -118.38 162.30 99.72 0.26 0.02 99.17 0.58 0.03 0.01 0.00 0.00 0.06 0.15 26 A C T 56.35 11.71 15.40 27.53 110.62 -78.24 -60.00 136.62 99.79 0.12 0.09 0.20 1.54 98.12 0.00 0.04 0.00 0.05 0.04 27 G C T 39.69 5.18 19.77 25.98 96.48 26.37 90.83 -6.94 99.92 0.05 0.04 0.29 1.53 98.12 0.00 0.02 0.00 0.03 0.00 28 D C C 34.56 12.78 16.13 30.36 118.44 131.33 -71.80 149.06 93.54 6.46 0.00 92.56 1.23 0.03 0.00 0.00 0.00 6.02 0.16 29 E E E 86.54 8.98 22.02 31.51 118.87 -131.43 -100.04 133.15 1.30 98.70 0.00 1.36 0.02 0.00 0.00 0.00 0.00 98.47 0.14 30 V E E 6.02 24.06 15.45 39.94 128.55 -173.29 -125.73 145.65 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.75 0.00 31 N E E 58.67 8.43 25.32 34.42 115.47 -134.80 -96.78 127.99 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 32 V E E 4.31 25.21 16.17 42.26 120.61 -164.70 -113.71 131.17 0.24 99.76 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.78 0.00 33 A E E 25.08 10.05 24.48 35.61 120.90 -163.83 -112.58 133.01 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 34 I E E 14.88 20.44 16.91 37.68 124.89 -168.02 -121.87 136.34 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 35 K E E 76.86 8.64 20.85 30.43 116.53 -149.20 -103.45 126.50 0.50 99.50 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.53 0.00 36 L E E 29.70 14.85 13.28 29.15 125.41 -172.26 -119.17 143.13 1.72 98.27 0.00 1.47 0.10 0.01 0.00 0.00 0.00 98.40 0.02 37 K E E 114.83 4.93 13.98 20.61 115.38 -137.11 -100.95 125.85 7.14 92.83 0.03 5.81 0.83 0.10 0.00 0.02 0.00 93.07 0.16 38 E E E 90.60 6.89 9.00 17.63 116.86 176.10 -126.58 114.26 23.18 76.58 0.24 17.89 3.93 1.15 0.04 0.22 0.00 76.24 0.53 39 K C T 173.24 0.70 11.56 11.57 102.17 -39.44 53.67 -90.89 99.21 0.35 0.44 2.31 20.06 76.76 0.01 0.53 0.00 0.27 0.06 40 E C T 175.36 0.40 10.36 9.69 96.83 -32.17 -66.81 5.98 99.32 0.29 0.39 2.32 19.88 77.04 0.01 0.49 0.00 0.22 0.04 41 K E E 127.52 2.21 10.37 14.31 123.14 89.68 -111.74 145.15 20.37 79.55 0.07 14.09 5.81 0.58 0.01 0.07 0.00 78.97 0.48 42 V E E 89.87 6.91 9.69 18.43 118.01 -136.62 -100.09 131.91 5.68 94.31 0.00 5.14 0.18 0.01 0.00 0.00 0.00 94.60 0.06 43 R E E 100.39 6.06 14.11 22.11 128.52 -176.82 -128.65 148.76 1.55 98.45 0.00 1.43 0.04 0.00 0.00 0.00 0.00 98.51 0.01 44 I E E 90.24 9.18 14.02 24.52 118.25 -135.09 -100.76 130.98 0.63 99.37 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.38 0.00 45 Q E E 57.53 11.43 16.09 28.68 129.32 -175.80 -128.67 147.04 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 46 N E E 80.36 8.95 19.44 29.14 117.50 -129.02 -94.04 134.04 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 47 F E E 15.52 20.76 15.85 36.81 131.48 -175.64 -130.43 150.49 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 48 T E E 53.50 10.20 25.10 35.52 123.34 -148.45 -115.65 137.54 1.05 98.95 0.00 0.82 0.04 0.00 0.00 0.00 0.00 99.13 0.00 49 G E E 5.17 17.00 22.40 39.92 144.84 117.30 158.11 -172.24 1.71 98.29 0.00 1.18 0.22 0.00 0.00 0.00 0.00 98.58 0.01 50 T E E 30.12 12.63 25.93 39.56 122.74 -68.67 -110.93 137.76 0.43 99.57 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 51 V E E 6.94 24.13 17.82 42.87 109.58 -117.47 -75.94 124.20 0.17 99.83 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 52 L E E 42.51 12.39 23.27 36.37 100.77 174.60 -98.30 -31.70 0.59 99.41 0.00 0.40 0.09 0.00 0.00 0.00 0.00 99.51 0.00 53 R E E 89.76 6.85 25.25 33.13 140.80 -1.75 -157.81 151.75 0.43 99.57 0.00 0.32 0.04 0.00 0.00 0.00 0.00 99.63 0.00 54 R E E 75.48 19.53 13.89 32.08 123.67 -153.35 -123.93 131.73 2.43 97.56 0.00 2.32 0.08 0.00 0.00 0.00 0.00 97.47 0.12 55 R E E 120.11 5.73 18.11 24.96 124.01 -173.52 -124.10 142.65 38.32 61.64 0.04 33.68 2.95 0.24 0.01 0.03 0.00 62.54 0.56 56 G C C 49.48 3.30 14.78 19.24 121.00 16.53 93.73 -171.38 84.48 15.42 0.10 50.57 30.66 2.24 0.01 0.13 0.00 15.91 0.48 57 K C S 153.82 2.28 13.57 17.12 119.65 -103.48 -122.79 136.21 90.97 8.69 0.33 37.50 50.01 3.88 0.05 0.37 0.00 6.41 1.78 58 G C S 44.58 2.83 15.54 19.05 123.66 3.00 87.82 -158.61 91.65 3.25 5.10 6.93 65.46 19.40 0.29 4.75 0.00 1.94 1.25 59 I C T 110.25 7.06 13.58 21.87 94.06 -35.87 -71.54 -19.67 91.69 0.91 7.40 2.47 28.93 59.05 0.13 8.60 0.00 0.54 0.28 60 S C T 62.49 6.86 16.49 24.28 97.66 56.33 -94.24 4.16 84.87 8.45 6.68 11.69 20.78 50.55 0.15 8.75 0.00 7.55 0.53 61 E C C 38.07 13.44 14.85 29.67 116.29 112.25 -81.90 140.92 68.53 30.97 0.51 63.24 3.33 0.74 0.05 0.45 0.00 31.72 0.48 62 T E E 29.55 12.73 21.17 34.76 132.29 -165.25 -130.67 150.57 9.37 90.62 0.01 8.67 0.43 0.02 0.00 0.00 0.00 90.68 0.20 63 F E E 11.12 21.94 19.19 41.40 123.82 -152.49 -116.08 137.86 0.41 99.59 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 64 I E E 27.33 12.91 25.23 39.22 119.98 -154.58 -110.62 130.44 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 65 V E E 5.14 23.35 19.36 43.30 121.19 -165.05 -113.08 132.74 0.11 99.88 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 66 R E E 59.68 13.20 23.27 36.55 122.58 -162.30 -109.34 135.82 0.73 99.27 0.00 0.66 0.01 0.00 0.00 0.00 0.00 99.32 0.01 67 K E E 47.62 14.66 17.86 32.77 132.34 171.82 -129.71 152.51 2.68 97.32 0.00 2.28 0.17 0.01 0.00 0.00 0.00 97.51 0.03 68 T E E 59.00 9.78 16.69 27.59 118.11 -130.42 -105.39 128.37 6.75 93.24 0.01 5.94 0.48 0.03 0.00 0.01 0.00 93.41 0.13 69 T E E 51.11 10.71 11.21 23.14 121.85 173.79 -133.78 125.86 8.02 91.89 0.09 5.41 2.11 0.49 0.02 0.07 0.00 90.16 1.72 70 D C T 128.38 1.18 13.47 14.68 92.91 -13.05 52.51 42.38 99.44 0.36 0.20 0.31 5.02 94.19 0.00 0.20 0.00 0.24 0.04 71 G C T 60.93 1.54 13.46 15.32 94.61 -50.90 80.44 1.76 99.76 0.11 0.12 0.33 4.99 94.46 0.00 0.13 0.00 0.07 0.01 72 I E E 72.55 7.76 13.42 23.07 119.74 110.73 -108.56 129.42 4.68 95.31 0.01 3.06 1.41 0.06 0.00 0.01 0.00 94.82 0.63 73 P E E 56.94 9.88 15.80 26.97 113.48 -120.73 -70.87 138.65 3.31 96.69 0.00 2.88 0.12 0.00 0.00 0.00 0.00 96.96 0.03 74 I E E 29.55 15.79 16.24 32.91 125.66 -172.80 -123.82 139.86 1.57 98.43 0.00 1.50 0.03 0.00 0.00 0.00 0.00 98.44 0.03 75 E E E 71.95 13.77 19.18 32.84 122.35 -155.84 -110.40 134.14 0.99 99.01 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.09 0.01 76 K E E 53.40 15.02 20.08 35.00 130.29 -176.17 -130.59 144.65 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 77 N E E 60.26 14.39 20.61 34.53 123.93 -154.40 -118.55 135.10 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 78 F E E 23.73 18.48 18.42 37.15 127.57 -173.50 -129.29 140.33 0.34 99.66 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 79 Q E E 69.61 8.51 24.06 32.88 111.99 -114.09 -72.03 138.65 6.55 93.44 0.01 5.95 0.34 0.07 0.00 0.01 0.00 93.43 0.20 80 I C T 25.46 22.26 15.43 37.07 93.83 -127.34 -64.34 -27.76 93.32 6.01 0.67 8.02 12.04 73.25 0.04 0.72 0.00 5.56 0.37 81 H C T 94.59 9.34 21.04 30.92 95.31 56.78 -90.19 5.02 96.77 2.76 0.48 6.26 16.09 74.28 0.03 0.59 0.00 2.45 0.30 82 N C C 35.09 14.76 14.75 30.45 115.10 121.73 -74.09 136.47 95.87 3.79 0.34 63.11 32.06 0.96 0.07 0.31 0.00 2.37 1.13 83 P C T 78.82 7.34 18.59 26.97 93.68 -123.21 -66.71 -18.79 96.85 2.22 0.93 12.07 28.98 55.60 0.07 1.02 0.00 2.01 0.24 84 N C T 76.20 9.19 19.56 28.99 99.91 61.85 -92.24 18.38 71.80 26.83 1.37 15.71 9.60 47.15 0.13 1.44 0.00 25.19 0.78 85 I E E 13.15 23.61 13.02 36.14 119.39 108.01 -105.29 128.77 40.54 59.03 0.44 36.41 3.22 0.56 0.11 0.34 0.00 56.95 2.39 86 S E E 46.10 7.72 25.04 33.07 120.23 -164.71 -113.48 130.40 41.98 57.91 0.12 41.09 0.54 0.10 0.03 0.05 0.00 57.66 0.54 87 I E E 20.88 22.84 14.58 36.97 120.81 -164.05 -115.97 128.66 37.03 62.86 0.10 36.76 0.48 0.07 0.03 0.04 0.00 62.19 0.41 88 E E E 93.60 5.72 23.30 29.41 118.45 -163.41 -109.14 127.36 21.81 77.96 0.23 21.27 0.46 0.11 0.10 0.08 0.00 77.33 0.65 89 L E E 48.51 18.09 12.28 29.83 113.10 -143.84 -89.00 124.35 20.48 79.06 0.46 19.97 0.57 0.17 0.24 0.17 0.00 77.66 1.21 90 K E E 109.41 5.31 17.75 24.04 102.57 176.71 -99.28 -27.82 34.13 64.92 0.95 30.73 2.50 0.62 0.44 0.45 0.00 64.09 1.18 91 R E E 121.24 5.95 15.77 23.08 130.08 2.48 -138.87 145.08 48.43 50.02 1.54 41.51 4.82 1.43 0.62 0.87 0.00 49.29 1.46 92 R C C 136.90 8.36 12.43 22.29 118.98 -150.18 -106.30 133.35 73.50 23.59 2.91 55.18 12.43 5.41 1.23 1.59 0.00 22.60 1.56 93 G C C 35.34 7.14 13.02 21.38 130.01 135.28 -138.51 -167.31 86.66 8.23 5.11 47.07 29.42 10.69 2.72 2.39 0.00 6.51 1.20 94 K C C 154.35 2.29 15.66 18.34 111.71 -67.54 -86.17 128.11 84.81 7.83 7.36 57.20 21.20 6.62 4.72 2.74 0.01 5.88 1.64 95 V C C 66.56 11.99 10.06 22.35 118.72 -135.06 -103.57 134.95 78.60 10.17 11.23 64.26 9.69 4.27 8.08 3.46 0.01 7.69 2.55 96 R C C 135.41 5.83 14.78 22.04 117.48 -155.04 -102.07 134.37 79.72 9.78 10.51 68.74 7.00 3.73 7.35 3.27 0.00 7.82 2.10 97 R C C 130.30 8.36 14.28 23.70 114.62 -131.57 -92.39 131.32 71.24 11.38 17.39 58.09 8.19 4.74 11.60 5.98 0.02 8.78 2.60 98 A C C 42.33 12.76 12.82 25.85 115.45 -136.49 -89.75 137.14 72.43 8.22 19.35 55.73 10.96 5.62 12.65 6.97 0.01 6.64 1.41 99 Y C C 131.12 6.43 17.88 25.01 114.33 -135.61 -95.68 123.23 70.45 10.21 19.34 56.13 8.66 5.31 12.65 6.95 0.01 8.27 2.02 100 I C C 45.49 16.18 12.56 28.42 105.70 -155.53 -88.76 61.54 58.01 9.22 32.77 49.15 5.06 4.11 20.28 12.51 0.01 7.20 1.68 101 S H G 55.33 6.80 17.10 24.90 96.53 131.61 -71.19 -32.77 30.66 8.57 60.78 15.58 5.84 9.92 28.09 32.39 0.05 7.27 0.86 102 Y H G 101.24 7.72 16.30 25.08 95.80 59.16 -74.92 -19.50 27.15 9.96 62.88 10.98 5.31 11.63 27.67 34.85 0.12 8.53 0.91 103 M H G 42.94 15.51 11.90 27.43 97.31 60.46 -84.86 -9.50 25.26 10.35 64.39 13.84 4.84 7.90 27.03 36.70 0.05 8.61 1.03 104 R C T 121.39 8.38 13.87 23.37 93.86 86.79 -64.92 -30.61 46.84 9.34 43.82 13.55 8.43 24.20 23.62 20.83 0.31 7.47 1.58 105 E C T 143.73 1.79 16.43 17.98 97.25 49.27 -91.55 -0.75 60.08 6.06 33.86 16.48 11.49 31.79 16.90 17.20 0.15 4.71 1.28 106 R C C 92.36 12.29 9.16 21.56 113.54 106.16 -84.17 130.77 80.91 4.24 14.85 56.36 17.15 6.88 11.18 4.26 0.00 2.64 1.52 107 S C C 78.21 3.06 14.02 18.44 122.14 -162.93 -112.32 150.25 78.86 4.29 16.86 53.75 13.23 10.67 14.78 3.41 0.01 2.23 1.91 108 G C H 43.56 3.25 15.71 19.68 117.72 14.04 78.84 -154.12 55.95 1.58 42.47 16.88 21.85 18.30 35.04 6.38 0.09 0.75 0.71 109 K H H 129.86 4.52 15.22 20.83 94.54 -26.66 -67.80 -33.33 29.33 1.43 69.24 10.82 7.30 12.68 57.37 10.31 0.12 0.98 0.43 110 A H H 38.04 8.92 13.73 24.31 92.76 55.38 -65.34 -38.14 23.64 2.59 73.77 11.74 4.65 8.65 61.02 11.26 0.08 2.07 0.53 111 A H H 34.74 7.56 14.40 24.04 93.50 54.49 -65.54 -38.02 22.63 3.46 73.91 14.09 4.13 6.11 63.11 9.06 0.04 2.84 0.61 112 K H H 104.97 4.36 17.71 22.61 94.11 54.17 -67.66 -37.75 26.56 5.94 67.50 16.88 4.89 6.77 59.28 6.27 0.06 4.92 0.94 113 I H H 61.29 8.76 13.84 24.03 95.27 54.98 -68.87 -39.51 27.44 6.41 66.15 18.75 4.87 5.68 59.99 4.46 0.05 5.24 0.98 114 K H H 105.17 5.99 14.18 21.29 95.36 54.72 -68.88 -36.25 29.90 6.10 64.00 20.71 4.72 6.02 57.77 4.79 0.03 5.04 0.93 115 E H H 115.84 3.67 12.68 17.59 96.36 55.20 -72.10 -32.04 34.44 5.12 60.44 21.52 5.54 8.84 52.84 6.22 0.05 4.04 0.96 116 R H H 146.98 3.53 11.08 16.10 97.73 57.62 -75.41 -24.48 43.57 3.85 52.58 24.78 7.29 12.77 45.42 6.05 0.05 2.62 1.01 117 K C C 131.68 4.10 9.71 15.40 101.31 59.16 -83.47 0.46 62.65 2.01 35.34 42.09 2.08 17.64 32.51 3.68 0.00 1.16 0.84 118 Q C C 124.43 3.60 11.31 16.54 104.14 103.39 -81.53 42.79 99.77 0.04 0.19 99.45 0.10 0.26 0.15 0.01 0.00 0.02 0.01