# 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 127.82 3.38 11.59 16.60 116.99 -161.68 -101.87 132.35 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 I C C 113.29 4.74 8.00 14.65 116.06 -148.02 -96.21 127.51 91.77 4.82 3.41 90.27 0.74 1.69 2.05 0.74 0.00 2.97 1.54 2 T C C 95.04 3.01 9.08 14.03 116.78 -164.53 -100.56 136.95 87.97 6.81 5.22 75.10 8.29 4.56 3.03 2.09 0.00 5.02 1.91 3 K C C 154.75 1.92 10.00 13.42 113.62 -133.25 -91.06 127.84 85.19 6.65 8.16 69.00 11.22 4.84 5.51 2.85 0.00 4.74 1.82 4 I C C 92.75 7.21 7.93 16.54 116.68 -153.16 -94.38 137.86 86.53 3.70 9.78 71.14 11.26 3.73 8.38 2.04 0.00 2.12 1.33 5 D C C 86.82 3.18 12.03 16.40 109.97 -129.80 -83.93 126.90 90.04 1.06 8.90 82.65 4.45 2.60 8.24 1.12 0.00 0.49 0.45 6 K H H 134.77 3.95 10.81 16.48 94.45 -140.51 -65.02 -33.01 25.12 0.31 74.57 11.61 4.82 9.37 71.47 2.44 0.01 0.14 0.14 7 N H H 101.59 2.34 12.98 15.99 93.87 55.31 -67.39 -36.81 20.07 0.30 79.63 7.28 3.70 9.62 76.79 2.32 0.02 0.14 0.14 8 K H H 110.40 2.39 14.34 17.07 93.48 51.25 -66.96 -40.44 10.67 0.36 88.97 5.97 1.93 3.60 86.08 2.08 0.01 0.20 0.13 9 V H H 54.92 5.57 12.84 20.44 92.38 50.84 -64.82 -42.27 5.59 0.18 94.23 3.40 0.88 1.63 93.04 0.90 0.00 0.09 0.06 10 R H H 105.79 6.36 14.55 22.16 92.22 50.68 -64.38 -41.38 3.50 0.21 96.29 1.91 0.45 1.19 95.64 0.61 0.00 0.15 0.05 11 K H H 119.93 2.64 16.84 19.79 92.06 50.18 -64.79 -40.96 2.63 0.16 97.21 1.27 0.32 0.99 96.79 0.48 0.00 0.12 0.03 12 K H H 115.05 2.38 17.86 19.96 92.17 49.08 -65.35 -41.26 2.45 0.08 97.47 1.00 0.29 1.05 97.16 0.42 0.00 0.05 0.02 13 R H H 97.01 7.52 16.74 25.24 92.22 49.64 -64.84 -41.43 2.68 0.06 97.26 0.93 0.30 1.29 97.03 0.40 0.00 0.03 0.02 14 H H H 72.58 9.79 16.01 26.79 92.06 50.48 -64.46 -40.85 3.12 0.04 96.83 1.04 0.35 1.54 96.59 0.45 0.00 0.02 0.01 15 A H H 56.50 3.21 18.58 21.94 91.85 51.00 -64.26 -40.86 3.73 0.05 96.22 1.20 0.42 1.91 95.82 0.61 0.01 0.02 0.01 16 R H H 126.00 2.92 19.39 22.11 92.50 49.99 -65.90 -40.69 4.88 0.08 95.04 1.59 0.59 2.57 94.31 0.87 0.01 0.04 0.02 17 V H H 35.39 12.75 15.59 29.23 92.50 49.92 -65.12 -42.00 5.56 0.11 94.34 1.98 0.74 2.81 93.14 1.23 0.01 0.05 0.03 18 R H H 104.15 10.89 16.64 27.85 92.09 52.40 -63.65 -39.19 6.82 0.12 93.06 2.21 0.86 3.77 90.53 2.50 0.01 0.07 0.04 19 S H H 72.72 2.36 18.81 20.94 92.18 52.75 -66.46 -35.30 12.25 0.16 87.59 2.67 1.42 8.11 81.52 6.08 0.04 0.08 0.07 20 K H H 120.33 4.73 18.39 23.71 94.16 51.44 -73.14 -28.25 21.46 0.24 78.30 3.28 2.36 15.78 71.77 6.49 0.08 0.12 0.12 21 I H H 33.43 18.42 12.03 29.61 99.04 49.76 -90.45 -7.50 37.16 0.71 62.12 7.41 5.42 25.28 56.02 4.99 0.15 0.31 0.43 22 S C T 68.09 6.83 14.46 23.00 110.47 112.47 -72.84 128.20 76.52 1.10 22.38 12.18 8.82 53.95 20.35 3.44 0.03 0.47 0.77 23 G C T 57.73 2.40 15.89 18.70 98.00 20.34 83.87 -1.94 94.28 0.42 5.30 15.53 16.05 63.22 2.61 2.15 0.00 0.21 0.23 24 T C C 61.90 8.37 11.48 21.35 120.53 113.35 -96.70 149.89 94.41 2.00 3.59 70.72 18.39 4.70 1.57 1.96 0.00 0.69 1.97 25 E C S 144.19 3.25 15.02 19.68 96.09 -140.36 -75.78 -16.67 96.03 1.07 2.90 14.32 41.76 40.06 0.41 2.43 0.00 0.54 0.48 26 S C T 63.34 6.72 17.30 24.91 108.82 69.73 -90.30 119.11 96.47 1.66 1.88 18.69 38.34 39.32 0.18 1.99 0.00 1.02 0.46 27 R C C 84.67 14.54 18.51 32.51 115.84 63.65 -102.71 122.15 95.96 3.93 0.11 58.17 38.21 0.37 0.02 0.09 0.00 2.53 0.62 28 P C C 10.63 22.02 17.22 39.61 116.31 -118.20 -68.68 148.31 92.44 7.52 0.03 90.85 1.74 0.13 0.00 0.02 0.00 6.96 0.29 29 R E E 76.46 12.63 26.48 39.14 122.75 -145.36 -111.30 137.06 9.61 90.38 0.01 9.11 0.44 0.02 0.00 0.01 0.00 89.27 1.15 30 L E E 6.32 26.17 18.94 45.54 121.12 -157.95 -111.46 131.89 2.12 97.88 0.00 2.00 0.06 0.00 0.00 0.00 0.00 97.91 0.03 31 N E E 35.64 12.74 27.44 40.62 121.66 -168.59 -116.77 132.09 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 32 V E E 12.36 24.21 19.29 43.31 120.73 -164.08 -116.14 127.97 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 33 F E E 61.47 11.09 25.79 37.12 127.78 -174.37 -127.31 140.22 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 34 R E E 88.63 16.29 18.17 33.58 119.71 -152.43 -107.91 128.61 2.78 97.22 0.00 2.48 0.12 0.01 0.00 0.00 0.00 97.32 0.07 35 S C C 30.94 9.54 17.78 28.42 131.80 169.29 -123.77 -177.58 73.21 26.77 0.03 71.16 1.08 0.08 0.00 0.01 0.00 27.34 0.33 36 N C S 113.76 4.44 17.13 22.64 91.80 -90.56 -64.79 -27.59 99.68 0.20 0.12 1.40 69.95 28.40 0.00 0.09 0.00 0.13 0.03 37 K C S 119.75 5.47 17.42 23.58 103.78 26.01 -108.24 -16.06 99.64 0.24 0.12 1.02 70.56 28.13 0.00 0.09 0.00 0.16 0.03 38 N E E 40.90 11.15 20.43 32.26 143.90 6.53 -158.88 161.68 29.59 70.39 0.02 23.12 5.20 0.17 0.00 0.02 0.00 71.20 0.29 39 I E E 7.06 24.04 17.15 41.98 119.94 -126.25 -112.86 130.69 0.78 99.22 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.24 0.01 40 Y E E 42.36 13.10 27.01 40.66 124.53 -168.71 -120.07 137.19 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 41 A E E 2.10 26.22 20.06 46.86 127.68 -170.04 -125.80 141.25 0.05 99.95 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 42 Q E E 31.66 15.26 28.41 43.76 126.69 -169.04 -124.66 136.90 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 43 I E E 5.05 24.40 22.90 47.45 117.61 -152.55 -107.19 126.81 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 44 I E E 19.38 16.02 22.75 39.45 123.60 -168.52 -119.48 134.02 0.26 99.74 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.73 0.03 45 D E E 27.96 12.52 19.63 33.66 108.09 -126.99 -81.45 116.81 16.07 83.92 0.01 15.30 0.30 0.03 0.00 0.01 0.00 84.09 0.27 46 D C T 53.51 14.78 15.25 30.48 93.60 -157.26 -70.91 -23.29 99.31 0.16 0.53 0.32 3.19 95.95 0.02 0.39 0.00 0.09 0.03 47 V C T 100.61 3.66 16.94 21.47 98.10 47.96 -79.10 -40.47 99.29 0.09 0.63 0.17 2.22 97.05 0.01 0.48 0.00 0.04 0.03 48 N C T 103.65 2.37 16.14 18.43 99.50 21.63 -102.36 -9.55 99.55 0.05 0.40 0.40 2.07 97.16 0.02 0.32 0.00 0.02 0.01 49 G C C 39.14 8.66 13.25 23.32 95.54 -123.71 75.23 11.23 99.19 0.49 0.33 65.67 5.98 27.56 0.07 0.23 0.00 0.38 0.12 50 V C C 65.33 7.15 18.75 27.25 116.06 148.49 -84.79 136.54 66.29 33.64 0.06 61.80 3.93 0.17 0.02 0.05 0.00 29.91 4.12 51 T E E 52.47 15.42 18.42 33.47 110.29 -121.18 -77.36 123.98 0.74 99.26 0.00 0.74 0.02 0.00 0.00 0.00 0.00 98.82 0.42 52 L E E 24.92 18.49 21.30 39.59 100.24 176.65 -94.99 -30.74 1.97 98.03 0.00 0.92 0.90 0.01 0.00 0.00 0.00 98.16 0.01 53 A E E 5.85 21.25 22.42 43.82 143.24 -1.40 -158.25 152.93 0.36 99.64 0.00 0.25 0.04 0.00 0.00 0.00 0.00 99.70 0.00 54 S E E 33.01 18.74 24.80 41.76 137.82 -171.90 -145.35 149.93 0.44 99.56 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.00 55 A E E 8.20 23.00 21.84 44.07 135.30 -172.47 -140.40 149.23 0.50 99.50 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.49 0.01 56 S E E 26.42 15.43 24.70 39.70 137.25 -173.71 -143.47 154.71 5.97 94.02 0.01 5.49 0.32 0.02 0.00 0.01 0.00 93.85 0.30 57 N C C 30.20 19.91 17.71 36.70 104.69 -133.97 -94.80 20.47 66.39 32.39 1.22 38.72 23.44 4.77 0.20 1.03 0.00 30.81 1.02 58 L C S 89.99 8.55 21.37 29.88 97.85 82.82 -87.05 -2.35 91.83 5.00 3.17 34.99 44.84 12.59 0.71 2.36 0.00 3.20 1.31 59 D C C 53.31 12.63 14.12 27.38 110.65 106.47 -81.45 119.81 90.39 1.99 7.62 60.28 22.68 7.32 3.11 4.33 0.00 0.80 1.48 60 K H G 147.75 3.44 15.99 21.12 93.83 -153.24 -67.47 -26.29 49.52 0.45 50.03 7.85 8.30 32.20 13.87 37.22 0.02 0.22 0.33 61 D H G 96.76 4.13 18.41 23.35 93.54 63.26 -73.54 -16.89 48.51 0.44 51.05 7.65 6.61 32.76 14.70 37.76 0.02 0.22 0.28 62 F H G 24.02 21.46 11.05 31.24 97.07 63.04 -81.75 -14.20 42.92 1.07 56.02 16.36 9.69 17.67 16.31 38.83 0.02 0.52 0.60 63 G C C 37.27 9.49 17.00 26.71 105.04 76.74 -60.40 -57.51 69.62 1.10 29.29 32.17 13.18 25.05 12.73 15.54 0.01 0.46 0.85 64 S C C 79.79 3.67 16.99 21.58 104.49 46.06 -87.96 25.97 77.39 1.17 21.44 34.59 17.12 26.50 8.52 11.90 0.00 0.49 0.88 65 A C C 56.16 10.60 12.02 23.06 109.96 126.23 -87.48 118.78 87.99 0.97 11.04 61.11 14.79 12.00 5.77 5.18 0.00 0.40 0.75 66 E C C 130.14 4.03 15.97 21.12 107.50 -136.13 -92.10 40.48 90.47 0.98 8.54 58.60 17.79 14.10 4.96 3.42 0.00 0.40 0.73 67 S C C 58.12 8.85 15.62 25.05 114.12 44.77 -95.22 131.11 88.91 1.12 9.98 52.69 23.63 12.69 6.60 3.18 0.00 0.42 0.79 68 K C H 97.22 11.13 18.91 29.74 102.49 -122.02 -81.31 -17.25 58.94 1.37 39.69 30.96 23.02 5.29 37.84 1.63 0.01 0.35 0.90 69 V H H 49.05 16.83 18.08 33.65 94.11 53.18 -64.84 -39.55 10.85 0.12 89.03 4.21 2.44 4.31 87.83 1.10 0.01 0.04 0.05 70 D H H 80.79 4.49 25.90 30.55 91.95 50.65 -65.28 -40.43 6.45 0.10 93.45 2.91 0.85 2.65 92.46 1.03 0.00 0.05 0.04 71 A H H 12.51 15.34 21.96 37.87 91.47 50.84 -64.15 -42.28 1.70 0.02 98.28 0.72 0.19 0.71 97.82 0.55 0.00 0.01 0.00 72 A H H 1.87 26.13 20.65 46.80 91.42 51.17 -64.00 -42.01 0.84 0.00 99.15 0.24 0.07 0.43 98.94 0.32 0.00 0.00 0.00 73 S H H 31.73 14.64 26.76 40.87 91.68 51.29 -63.60 -42.00 1.06 0.01 98.93 0.18 0.08 0.65 98.84 0.24 0.00 0.00 0.00 74 K H H 87.16 6.86 30.26 38.67 91.28 50.11 -64.14 -41.69 1.02 0.01 98.97 0.14 0.06 0.68 98.98 0.13 0.00 0.00 0.00 75 V H H 2.28 25.34 25.91 50.73 91.57 50.15 -63.97 -44.06 0.22 0.00 99.78 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 76 G H H 0.78 26.98 24.49 51.44 91.38 51.41 -63.10 -43.10 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 77 E H H 71.68 10.55 29.26 40.73 91.50 50.35 -64.18 -41.75 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 78 L H H 38.80 10.48 28.81 40.85 91.52 49.81 -63.88 -42.95 0.08 0.00 99.92 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 79 V H H 1.18 26.85 25.10 51.85 91.60 49.13 -64.43 -43.99 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 A H H 3.12 24.49 22.82 46.88 91.06 51.45 -62.91 -43.18 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.01 0.00 0.00 0.00 81 K H H 103.41 4.46 28.68 33.80 91.23 50.26 -63.39 -42.02 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 82 R H H 65.94 10.41 25.21 36.05 91.65 49.00 -64.95 -41.38 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 83 A H H 1.34 25.91 15.39 42.22 91.00 50.86 -63.24 -43.09 0.31 0.00 99.69 0.02 0.01 0.22 99.62 0.12 0.00 0.00 0.00 84 S H H 46.36 12.95 18.81 31.49 91.33 51.15 -62.72 -40.86 0.91 0.00 99.09 0.04 0.03 0.80 98.60 0.54 0.00 0.00 0.00 85 E H H 146.44 1.32 20.82 21.07 90.07 53.53 -65.36 -27.36 6.11 0.00 93.88 0.07 0.11 6.33 92.96 0.53 0.00 0.00 0.00 86 K C T 100.03 8.90 15.91 25.80 93.06 52.26 -88.38 1.66 77.14 0.02 22.84 0.21 0.69 76.40 22.00 0.67 0.00 0.00 0.01 87 G C T 46.69 3.30 22.55 25.86 97.50 -103.38 88.01 13.22 99.92 0.00 0.08 0.69 0.55 98.73 0.02 0.01 0.00 0.00 0.00 88 I C C 12.60 23.83 11.02 34.67 112.14 149.52 -81.79 123.74 90.27 9.68 0.05 90.82 0.40 0.05 0.01 0.02 0.00 8.21 0.50 89 T C C 76.57 6.38 24.18 31.43 101.68 172.31 -108.88 -10.69 82.09 17.85 0.07 69.68 10.42 0.34 0.01 0.06 0.00 19.17 0.31 90 S E E 31.04 12.21 25.59 38.53 134.52 38.35 -139.27 147.85 13.24 86.66 0.11 10.74 2.09 0.23 0.02 0.07 0.00 86.59 0.26 91 V E E 2.93 26.79 19.06 46.65 126.16 -166.52 -129.02 135.87 2.27 97.71 0.03 2.14 0.10 0.01 0.01 0.01 0.00 97.63 0.11 92 T E E 24.23 15.69 28.08 43.72 119.59 -161.80 -113.43 128.97 2.33 97.64 0.02 2.28 0.08 0.01 0.01 0.01 0.00 97.44 0.17 93 F E E 9.69 24.56 20.20 44.61 122.13 -166.43 -114.09 133.08 14.38 85.57 0.05 13.99 0.40 0.04 0.02 0.02 0.00 85.17 0.36 94 D C E 50.69 12.52 24.20 36.49 110.35 -147.13 -99.96 113.53 52.35 47.50 0.16 45.67 4.39 0.50 0.03 0.13 0.00 48.57 0.71 95 R C C 56.17 17.60 15.83 33.08 100.53 165.78 -97.80 5.13 84.06 14.23 1.71 70.97 8.47 3.96 0.40 1.48 0.00 12.34 2.37 96 G C T 43.13 7.18 16.82 24.98 103.23 -144.46 61.62 13.31 87.98 6.70 5.33 32.90 22.09 33.60 0.68 4.80 0.00 4.09 1.82 97 G C T 54.29 3.81 16.19 20.92 98.71 -24.94 81.87 0.90 89.74 2.84 7.41 13.14 35.75 41.09 0.74 6.62 0.00 1.61 1.06 98 Y C C 119.30 8.15 13.51 22.92 121.25 100.82 -101.65 143.22 84.16 7.52 8.32 37.22 31.80 15.40 1.71 6.54 0.02 3.74 3.58 99 L C C 95.61 7.00 17.02 24.95 113.65 -123.22 -88.62 133.13 87.56 6.91 5.53 51.58 22.85 13.24 1.69 3.91 0.01 3.91 2.82 100 Y C C 90.73 16.00 12.38 27.61 112.96 -122.25 -91.78 123.11 89.43 4.95 5.62 64.67 14.65 9.78 2.47 3.17 0.00 2.64 2.61 101 H C C 97.06 6.60 17.27 25.22 128.31 166.35 -135.73 152.00 90.10 1.96 7.94 70.18 15.38 3.75 7.41 1.30 0.00 0.73 1.26 102 G H H 42.06 4.27 20.44 25.27 112.39 -24.94 63.14 -132.55 25.61 0.20 74.19 5.45 11.25 9.73 72.00 1.34 0.04 0.05 0.13 103 R H H 71.97 16.90 19.79 35.57 93.03 2.44 -67.57 -34.31 6.74 0.06 93.20 1.45 1.17 4.08 92.26 0.97 0.02 0.02 0.02 104 V H H 5.04 25.26 18.54 43.57 91.81 54.26 -64.29 -41.53 2.42 0.06 97.52 0.81 0.32 1.23 97.00 0.60 0.00 0.03 0.01 105 K H H 90.52 9.98 25.91 36.00 91.60 52.31 -63.06 -41.56 0.63 0.01 99.36 0.20 0.06 0.28 99.25 0.20 0.00 0.00 0.00 106 A H H 24.23 9.76 25.94 37.01 91.63 50.91 -64.00 -42.12 0.25 0.00 99.75 0.05 0.02 0.13 99.74 0.07 0.00 0.00 0.00 107 L H H 2.88 25.76 23.94 49.17 91.78 49.72 -64.36 -43.00 0.14 0.00 99.86 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 108 A H H 5.69 22.06 23.33 44.85 91.10 50.35 -62.49 -43.20 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 109 E H H 91.21 4.27 28.87 33.56 91.30 50.08 -63.51 -41.92 0.22 0.00 99.78 0.03 0.01 0.12 99.82 0.03 0.00 0.00 0.00 110 A H H 10.93 13.97 22.54 37.72 91.30 50.72 -63.27 -43.12 0.25 0.00 99.75 0.03 0.01 0.15 99.75 0.05 0.00 0.00 0.00 111 A H H 1.90 25.56 16.37 42.59 91.06 50.39 -63.36 -42.93 0.48 0.00 99.51 0.08 0.03 0.32 99.43 0.15 0.00 0.00 0.00 112 R H H 119.22 9.37 20.27 30.04 91.46 50.05 -63.22 -41.32 1.43 0.01 98.56 0.22 0.11 1.02 98.23 0.40 0.00 0.00 0.00 113 E H H 136.38 2.24 20.70 22.89 90.48 53.14 -64.87 -29.07 7.26 0.01 92.73 0.23 0.26 6.81 92.26 0.44 0.01 0.00 0.01 114 N C T 58.41 12.20 14.59 27.66 93.64 51.40 -89.66 2.08 80.32 0.03 19.66 0.41 0.96 77.64 20.44 0.53 0.00 0.00 0.02 115 G C T 49.26 2.91 21.22 24.19 97.69 -99.93 87.75 9.67 99.63 0.04 0.33 1.95 1.31 96.52 0.14 0.06 0.00 0.02 0.01 116 L C C 16.43 22.78 9.42 31.39 116.97 141.38 -84.84 138.22 96.20 3.57 0.22 94.59 1.55 0.44 0.08 0.11 0.00 2.64 0.59 117 E C C 128.34 2.97 22.81 26.05 114.58 -141.29 -95.14 129.28 67.95 31.70 0.35 68.36 0.60 0.64 0.15 0.14 0.00 22.58 7.53 118 F C C 45.58 22.04 13.89 34.55 117.11 -158.83 -101.99 130.94 96.15 3.85 0.01 96.98 0.08 0.01 0.00 0.00 0.00 2.77 0.15