# 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 113.66 5.74 11.42 18.54 114.77 -160.76 -94.40 135.89 99.94 0.04 0.02 99.86 0.07 0.04 0.01 0.00 0.00 0.02 0.00 1 S C C 84.27 2.45 10.70 14.74 114.13 -144.02 -93.09 131.11 93.30 2.70 4.00 89.30 1.26 3.10 3.06 0.63 0.00 1.32 1.35 2 L C C 76.95 9.32 7.59 17.74 117.08 -149.06 -95.97 139.09 92.80 2.36 4.84 73.41 15.96 3.18 4.07 1.02 0.00 1.05 1.30 3 T C C 73.00 2.36 13.12 16.06 119.12 -126.31 -81.04 162.15 93.38 1.31 5.31 86.86 4.99 1.42 4.95 0.61 0.00 0.52 0.67 4 K H H 142.57 3.17 10.81 15.64 92.37 -106.43 -59.32 -37.94 8.82 0.08 91.11 3.99 1.97 3.23 89.53 1.21 0.01 0.03 0.03 5 S H H 72.71 1.64 13.30 14.97 92.35 52.25 -65.68 -39.48 6.35 0.05 93.60 2.12 1.06 3.24 92.22 1.30 0.01 0.02 0.03 6 E H H 93.35 3.17 13.55 17.81 92.38 49.22 -65.96 -39.81 3.64 0.05 96.31 1.67 0.56 1.57 94.98 1.17 0.00 0.02 0.02 7 R H H 97.09 7.44 13.25 22.07 92.00 51.88 -64.17 -41.57 1.44 0.01 98.55 0.63 0.19 0.57 98.22 0.36 0.00 0.00 0.00 8 R H H 116.35 5.30 15.71 21.82 92.00 50.50 -64.46 -41.07 0.98 0.01 99.00 0.33 0.10 0.44 98.93 0.18 0.00 0.00 0.00 9 Q H H 97.84 2.44 17.61 19.77 91.84 49.74 -64.80 -41.30 0.93 0.01 99.06 0.27 0.09 0.45 99.03 0.16 0.00 0.00 0.00 10 R H H 109.18 4.70 17.39 22.93 91.91 50.27 -64.82 -41.38 1.11 0.01 98.88 0.29 0.10 0.57 98.87 0.16 0.00 0.00 0.00 11 I H H 48.72 10.27 15.74 27.12 91.93 49.63 -64.45 -42.03 1.35 0.01 98.64 0.35 0.12 0.69 98.64 0.19 0.00 0.00 0.00 12 K H H 100.18 6.31 17.89 24.67 91.81 51.10 -63.21 -41.35 1.73 0.01 98.26 0.38 0.14 0.97 98.20 0.31 0.00 0.00 0.00 13 F H H 108.35 3.20 18.73 21.99 91.85 49.51 -65.24 -41.10 2.75 0.02 97.23 0.58 0.24 1.64 96.96 0.56 0.00 0.01 0.00 14 R H H 102.45 6.65 17.74 25.32 92.21 50.77 -65.55 -40.85 4.08 0.04 95.88 1.02 0.41 2.35 95.39 0.79 0.01 0.02 0.01 15 I H H 54.80 11.71 15.84 28.02 92.53 50.32 -64.81 -41.56 5.61 0.07 94.31 1.77 0.69 2.92 93.53 1.03 0.01 0.03 0.02 16 R H H 125.92 5.77 17.55 24.12 92.35 51.72 -65.23 -39.58 8.03 0.13 91.85 3.06 1.03 3.84 89.92 2.03 0.01 0.07 0.04 17 K H H 119.64 3.83 18.03 22.50 92.80 51.93 -67.56 -37.51 12.24 0.25 87.51 4.37 1.69 6.31 83.37 4.01 0.02 0.14 0.09 18 T H H 57.54 10.30 15.84 26.53 94.52 49.78 -70.90 -36.53 16.52 0.43 83.06 6.05 2.51 8.31 78.68 4.01 0.04 0.24 0.15 19 I H H 75.14 11.35 14.76 26.23 96.54 49.47 -77.60 -27.76 26.07 0.81 73.12 8.56 4.51 13.67 69.33 3.09 0.08 0.41 0.35 20 S C H 74.02 4.22 16.26 21.44 101.44 59.77 -84.89 -4.16 52.43 1.20 46.37 15.45 10.69 26.79 43.15 2.71 0.08 0.48 0.63 21 G C T 41.71 7.46 13.18 21.76 112.47 84.58 -83.82 4.32 90.60 1.00 8.41 34.22 22.75 34.34 5.09 2.65 0.00 0.45 0.51 22 S C C 62.10 5.63 15.19 21.84 115.88 50.15 -99.85 148.47 91.02 2.50 6.48 62.81 18.44 9.34 2.90 3.50 0.00 1.00 2.01 23 A C S 68.76 8.63 13.73 23.10 96.90 -128.54 -70.81 -17.87 93.96 0.90 5.14 18.53 41.68 34.11 0.93 3.86 0.00 0.44 0.46 24 A C S 67.66 5.62 17.88 24.25 100.66 72.12 -80.00 -16.07 94.69 1.45 3.86 20.61 44.06 30.13 0.57 3.30 0.00 0.81 0.54 25 K C C 96.72 10.03 19.93 30.05 112.35 40.46 -109.43 100.33 96.56 3.23 0.22 52.21 44.42 0.57 0.04 0.17 0.00 2.03 0.55 26 P C C 12.48 22.57 15.82 38.46 116.73 -132.07 -69.31 147.01 92.06 7.88 0.06 90.07 1.94 0.15 0.01 0.03 0.00 7.50 0.30 27 R E E 73.78 12.73 26.65 39.39 124.15 -152.50 -115.81 137.93 9.41 90.58 0.01 8.87 0.49 0.02 0.00 0.01 0.00 89.88 0.73 28 L E E 6.52 26.03 19.78 46.00 122.32 -161.84 -114.62 133.52 1.30 98.69 0.00 1.22 0.04 0.00 0.00 0.00 0.00 98.72 0.02 29 S E E 19.76 14.07 27.56 41.98 125.85 -170.90 -124.16 138.11 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 30 V E E 10.81 24.42 19.90 44.10 120.77 -162.97 -117.78 128.01 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 31 F E E 58.89 11.65 26.10 37.94 126.05 -173.58 -125.96 136.61 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 32 R E E 83.82 16.77 18.43 34.20 120.24 -153.56 -109.06 129.26 2.87 97.13 0.00 2.57 0.12 0.01 0.00 0.00 0.00 97.22 0.07 33 S C C 31.01 9.64 18.20 28.82 130.62 169.51 -123.51 162.46 77.01 22.96 0.03 74.75 1.15 0.08 0.00 0.02 0.00 23.69 0.30 34 N C S 110.43 4.86 17.30 23.18 92.16 -89.14 -64.79 -28.44 99.68 0.21 0.11 2.06 75.67 22.02 0.01 0.09 0.00 0.13 0.03 35 K C S 119.32 5.67 17.27 23.62 104.14 22.97 -110.75 -14.35 99.61 0.28 0.12 1.34 78.13 20.22 0.00 0.09 0.00 0.19 0.03 36 E E E 58.11 9.95 20.87 31.48 143.13 15.18 -155.22 160.54 30.47 69.51 0.02 24.67 4.51 0.11 0.00 0.01 0.00 70.42 0.28 37 I E E 7.07 24.21 16.92 41.98 119.92 -133.09 -110.12 129.68 0.82 99.18 0.00 0.78 0.01 0.00 0.00 0.00 0.00 99.20 0.01 38 Y E E 42.38 12.94 27.05 40.64 123.85 -170.09 -119.33 137.92 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 39 A E E 2.15 26.30 20.08 46.95 127.64 -170.10 -125.87 140.18 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 40 Q E E 33.76 15.06 28.40 43.53 127.34 -170.42 -127.73 138.78 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 41 L E E 6.12 23.98 22.88 46.92 117.10 -147.56 -105.42 126.96 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 42 I E E 17.78 16.57 22.44 39.61 126.40 -171.89 -121.87 140.79 0.27 99.73 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.71 0.04 43 D E E 30.49 11.91 20.76 34.12 108.28 -122.73 -80.37 118.06 18.38 81.61 0.01 17.68 0.30 0.03 0.00 0.00 0.00 81.70 0.28 44 D C T 37.91 18.06 15.41 33.52 93.70 -155.74 -70.81 -22.90 99.50 0.12 0.38 0.26 2.98 96.38 0.02 0.27 0.00 0.07 0.03 45 V C T 92.80 5.12 17.84 23.94 98.96 46.30 -81.60 -40.22 99.51 0.07 0.42 0.12 2.19 97.33 0.01 0.30 0.00 0.03 0.02 46 N C T 104.82 2.17 17.51 19.13 99.77 19.31 -104.27 -10.78 99.68 0.05 0.27 0.42 2.36 96.98 0.01 0.20 0.00 0.03 0.01 47 G C C 35.55 10.73 12.95 24.54 95.52 -122.81 76.13 10.38 99.19 0.53 0.28 75.74 5.80 17.66 0.06 0.20 0.00 0.41 0.13 48 V C C 70.84 5.93 19.81 26.90 116.28 145.71 -83.55 137.10 72.11 27.82 0.06 68.49 3.73 0.15 0.02 0.05 0.00 23.69 3.87 49 T E E 51.49 15.98 17.55 33.15 110.26 -123.12 -78.59 123.84 0.87 99.13 0.00 0.88 0.03 0.00 0.00 0.00 0.00 98.70 0.39 50 I E E 28.56 17.66 21.08 38.62 100.67 174.82 -96.29 -30.92 1.69 98.31 0.00 0.86 0.66 0.01 0.00 0.00 0.00 98.45 0.01 51 L E E 12.96 20.52 22.10 42.59 141.65 2.41 -154.63 149.43 0.24 99.76 0.00 0.17 0.02 0.00 0.00 0.00 0.00 99.81 0.00 52 A E E 32.05 18.96 23.91 41.22 134.86 -173.56 -141.99 145.64 0.33 99.67 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.00 53 A E E 8.02 22.51 22.14 43.97 134.15 -173.57 -138.11 147.96 0.46 99.54 0.00 0.43 0.01 0.00 0.00 0.00 0.00 99.54 0.01 54 S E E 29.08 15.18 24.98 39.74 137.04 -175.88 -141.31 152.93 5.42 94.57 0.01 4.98 0.30 0.03 0.00 0.01 0.00 94.44 0.25 55 S C E 14.34 21.34 16.50 37.20 118.32 -140.23 -101.33 144.14 55.50 42.67 1.82 39.14 13.88 3.24 0.42 1.36 0.00 40.78 1.19 56 R C S 136.34 6.83 21.59 28.76 98.48 -150.38 -88.88 -0.80 90.77 4.31 4.92 38.78 43.05 9.68 1.47 3.11 0.00 2.85 1.04 57 E C C 72.27 11.56 14.51 26.91 111.42 104.96 -79.82 126.01 83.80 1.32 14.88 56.28 19.21 8.40 6.29 8.36 0.00 0.57 0.90 58 K C G 138.07 4.87 15.42 22.14 93.93 -152.22 -66.48 -27.26 53.33 0.48 46.19 13.00 10.10 29.49 13.00 33.84 0.01 0.24 0.33 59 E C G 124.69 3.72 18.80 23.21 93.37 63.37 -72.53 -18.34 53.01 0.70 46.29 15.01 8.66 28.74 13.46 33.37 0.01 0.36 0.41 60 I C C 28.36 19.32 12.03 30.54 99.45 58.74 -83.74 -9.92 57.11 1.50 41.40 35.38 10.60 11.58 14.53 26.36 0.00 0.72 0.82 61 A C C 47.42 12.88 15.01 27.80 101.28 79.74 -80.30 -9.24 88.20 0.79 11.01 74.72 6.76 6.99 6.65 3.98 0.00 0.36 0.55 62 K C C 140.80 3.27 17.90 22.03 110.56 84.29 -94.85 121.09 92.78 0.97 6.25 72.36 11.62 8.85 3.81 2.27 0.00 0.43 0.66 63 G C C 39.50 5.98 16.36 23.49 125.41 31.83 113.91 -174.78 95.32 1.39 3.29 62.90 23.61 8.89 1.77 1.37 0.00 0.63 0.83 64 T C C 79.50 9.30 15.85 25.77 114.56 -67.11 -99.50 123.71 93.72 1.95 4.32 71.42 17.55 4.55 3.19 1.23 0.00 0.77 1.30 65 N C C 73.44 9.54 19.02 28.72 116.23 105.48 -93.64 135.73 67.31 1.88 30.81 44.27 18.68 3.89 30.18 1.33 0.00 0.54 1.11 66 V H H 58.16 15.99 16.65 31.70 94.63 -137.05 -63.51 -36.32 8.13 0.09 91.79 3.80 1.52 2.59 91.30 0.72 0.00 0.03 0.03 67 E H H 111.83 4.08 24.46 28.80 92.03 54.19 -64.44 -40.05 3.29 0.06 96.65 1.64 0.37 1.17 96.18 0.60 0.00 0.03 0.01 68 I H H 27.56 15.84 21.83 37.58 91.83 50.08 -65.12 -42.09 0.78 0.01 99.21 0.35 0.08 0.29 98.93 0.34 0.00 0.01 0.00 69 A H H 2.53 25.64 20.40 46.00 91.26 50.93 -63.60 -42.59 0.31 0.00 99.69 0.07 0.02 0.16 99.54 0.21 0.00 0.00 0.00 70 A H H 31.70 13.73 26.62 40.11 91.63 50.61 -63.84 -42.01 0.39 0.00 99.61 0.05 0.02 0.26 99.50 0.17 0.00 0.00 0.00 71 A H H 34.97 7.83 29.35 38.90 91.44 50.31 -64.16 -41.96 0.48 0.00 99.52 0.05 0.02 0.34 99.48 0.10 0.00 0.00 0.00 72 V H H 2.42 25.30 25.51 50.36 91.66 49.55 -64.05 -43.97 0.25 0.00 99.75 0.02 0.01 0.16 99.76 0.04 0.00 0.00 0.00 73 G H H 1.21 26.46 24.12 50.35 91.36 51.32 -62.90 -43.27 0.21 0.00 99.79 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 74 K H H 87.73 9.80 29.12 39.86 91.48 50.16 -64.34 -41.57 0.21 0.00 99.79 0.01 0.01 0.14 99.82 0.02 0.00 0.00 0.00 75 L H H 41.89 10.63 28.71 40.69 91.68 49.88 -64.70 -42.48 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 76 V H H 1.20 26.86 25.06 51.78 91.70 49.13 -64.53 -43.85 0.07 0.00 99.93 0.01 0.00 0.04 99.95 0.01 0.00 0.00 0.00 77 A H H 3.42 24.36 23.00 46.82 91.18 51.74 -62.86 -43.33 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 78 E H H 90.70 4.77 28.86 34.33 91.28 50.19 -63.27 -42.14 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 79 K H H 59.55 11.23 25.60 37.04 91.70 49.03 -64.95 -41.41 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 80 A H H 0.82 27.50 16.05 44.67 90.89 50.93 -63.42 -42.99 0.14 0.00 99.86 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 81 L H H 70.91 13.44 20.34 33.10 91.23 50.65 -62.42 -41.49 0.42 0.00 99.58 0.02 0.01 0.37 99.38 0.23 0.00 0.00 0.00 82 K H H 154.70 1.28 22.78 22.76 89.94 53.26 -64.66 -29.95 4.48 0.00 95.52 0.04 0.07 4.69 94.86 0.33 0.00 0.00 0.00 83 A C T 34.56 13.57 15.50 29.81 92.27 56.02 -83.88 -5.07 75.44 0.01 24.54 0.18 0.57 74.88 23.79 0.57 0.00 0.00 0.01 84 G C T 42.94 3.89 23.55 28.02 98.76 -103.45 91.48 10.95 99.90 0.00 0.09 0.59 0.48 98.89 0.03 0.01 0.00 0.00 0.00 85 I C C 9.66 24.74 11.09 35.84 112.35 148.89 -81.24 124.96 92.89 7.05 0.07 93.32 0.38 0.06 0.02 0.02 0.00 5.77 0.43 86 D C C 87.82 5.65 23.94 30.60 101.25 174.63 -105.50 -14.65 86.34 13.60 0.07 71.17 13.51 0.36 0.01 0.06 0.00 14.59 0.29 87 T E E 48.06 10.75 24.78 36.34 130.32 39.88 -133.99 139.32 12.30 87.61 0.09 10.26 1.73 0.17 0.02 0.05 0.00 87.44 0.33 88 I E E 5.51 26.01 17.56 44.10 125.84 -170.45 -129.63 134.78 1.70 98.28 0.02 1.63 0.07 0.01 0.01 0.01 0.00 98.14 0.13 89 T E E 35.85 13.60 27.33 40.91 123.33 -165.62 -117.83 135.44 3.26 96.71 0.03 3.15 0.12 0.02 0.01 0.01 0.00 96.54 0.15 90 F E E 14.90 23.75 18.44 41.84 125.87 -169.57 -122.64 137.96 23.14 76.79 0.07 22.30 0.58 0.06 0.02 0.03 0.00 76.63 0.37 91 D C C 59.00 10.25 22.99 33.46 108.91 -137.20 -94.80 111.84 59.78 39.98 0.24 52.96 4.53 0.68 0.05 0.19 0.00 40.77 0.82 92 R C C 56.72 17.10 14.25 31.30 99.62 168.00 -96.79 3.46 86.36 10.86 2.78 70.86 8.93 6.07 0.62 2.45 0.00 8.52 2.55 93 G C T 49.93 4.87 16.51 22.62 98.93 -134.46 61.56 29.09 89.19 5.18 5.63 26.52 20.84 41.92 0.66 5.25 0.01 3.18 1.62 94 G C T 57.10 3.07 15.38 19.13 97.30 -39.37 81.92 0.90 90.27 2.59 7.13 11.59 31.74 46.91 0.64 6.67 0.00 1.54 0.92 95 Y C C 115.04 8.06 12.65 22.13 122.11 106.71 -102.01 143.86 84.99 8.88 6.12 40.81 32.16 12.02 1.36 4.87 0.01 4.42 4.35 96 L C C 101.59 5.85 16.93 23.89 113.03 -121.77 -86.64 132.04 89.20 7.27 3.54 60.16 19.48 9.38 1.18 2.45 0.00 4.36 2.98 97 Y C C 88.20 16.14 11.31 26.67 114.97 -121.71 -92.63 127.80 90.81 5.29 3.90 71.62 12.13 6.68 1.84 2.05 0.00 2.85 2.82 98 H C C 103.20 5.17 16.62 23.37 129.80 169.98 -137.03 157.03 91.04 2.08 6.89 74.06 12.96 3.25 6.50 1.12 0.00 0.80 1.32 99 G H H 46.79 2.93 19.20 22.31 111.03 -28.12 63.38 -130.16 28.34 0.24 71.42 5.15 11.13 13.25 67.94 2.25 0.06 0.07 0.15 100 R H H 89.27 13.81 18.32 31.72 93.12 1.07 -68.43 -31.92 13.05 0.14 86.81 2.50 2.39 8.61 84.13 2.20 0.05 0.06 0.07 101 I H H 8.07 24.64 16.40 40.70 91.88 57.05 -64.37 -41.47 5.40 0.14 94.45 1.95 0.82 2.77 92.79 1.55 0.01 0.07 0.04 102 K H H 96.15 9.42 24.01 33.56 91.52 53.15 -62.77 -41.46 1.46 0.02 98.52 0.59 0.17 0.62 98.17 0.43 0.00 0.01 0.00 103 S H H 38.80 6.88 25.75 33.40 91.64 50.54 -64.52 -41.75 0.72 0.00 99.27 0.16 0.06 0.39 99.15 0.23 0.00 0.00 0.00 104 L H H 6.18 23.88 22.57 45.81 92.05 49.54 -64.85 -42.93 0.46 0.00 99.54 0.07 0.03 0.27 99.49 0.12 0.00 0.00 0.00 105 A H H 6.65 22.00 22.05 43.49 91.27 50.51 -62.58 -43.14 0.45 0.00 99.55 0.07 0.03 0.25 99.59 0.06 0.00 0.00 0.00 106 E H H 98.30 3.78 28.37 32.24 91.43 50.20 -63.52 -41.76 0.38 0.00 99.62 0.06 0.02 0.21 99.65 0.05 0.00 0.00 0.00 107 G H H 11.23 11.99 22.78 35.91 91.64 50.80 -63.38 -42.79 0.43 0.00 99.57 0.06 0.03 0.26 99.56 0.09 0.00 0.00 0.00 108 A H H 2.22 25.49 16.33 42.41 91.38 50.11 -63.46 -42.91 0.61 0.00 99.38 0.10 0.04 0.39 99.26 0.20 0.00 0.00 0.00 109 R H H 118.26 9.69 20.72 30.72 91.51 50.60 -62.74 -41.30 1.47 0.02 98.52 0.27 0.13 1.01 98.12 0.46 0.00 0.01 0.01 110 A H H 81.40 2.22 21.33 23.32 90.19 53.89 -64.75 -28.37 7.66 0.01 92.32 0.27 0.29 7.12 91.75 0.55 0.01 0.00 0.01 111 A C T 35.11 13.43 14.54 28.78 92.69 54.43 -85.19 -0.56 79.11 0.02 20.87 0.36 0.87 77.00 21.15 0.60 0.00 0.00 0.02 112 G C T 49.94 2.74 21.80 24.52 97.43 -101.96 87.19 10.36 99.60 0.02 0.38 1.41 1.10 97.25 0.16 0.05 0.00 0.01 0.01 113 L C C 17.07 22.73 9.56 31.53 117.29 140.64 -86.46 137.73 97.25 2.56 0.20 95.24 1.93 0.41 0.07 0.09 0.00 1.70 0.57 114 K C C 138.68 2.77 22.66 25.68 114.24 -136.99 -91.76 130.18 77.31 22.39 0.30 77.94 0.74 0.59 0.13 0.11 0.00 13.43 7.05 115 F C C 46.99 22.09 13.89 34.48 117.82 -156.30 -102.42 130.32 97.34 2.65 0.01 98.00 0.09 0.01 0.00 0.00 0.00 1.72 0.18