# 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 N C C 76.11 10.02 17.34 27.62 110.26 -112.42 -92.58 100.57 99.82 0.18 0.00 99.69 0.15 0.03 0.00 0.00 0.00 0.12 0.01 1 I E E 71.36 9.99 16.60 27.59 117.94 151.83 -103.04 129.72 43.38 56.57 0.05 42.24 0.62 0.12 0.01 0.03 0.00 56.36 0.63 2 Y E E 45.08 18.29 13.38 31.45 121.37 -162.90 -109.23 134.03 6.34 93.64 0.01 5.71 0.34 0.03 0.00 0.01 0.00 93.79 0.12 3 K E E 106.70 6.03 23.27 29.99 117.06 -156.80 -109.13 124.97 1.05 98.95 0.00 0.93 0.04 0.00 0.00 0.00 0.00 99.01 0.02 4 L E E 20.13 22.44 14.33 36.51 119.61 -166.22 -110.59 128.21 0.56 99.44 0.00 0.53 0.01 0.00 0.00 0.00 0.00 99.45 0.01 5 I E E 74.17 7.22 24.20 31.88 123.59 -171.43 -121.43 136.38 0.88 99.12 0.00 0.79 0.04 0.00 0.00 0.00 0.00 99.13 0.04 6 G E E 13.12 20.06 12.91 32.02 130.99 170.29 -134.66 149.78 12.09 87.89 0.02 10.93 0.78 0.09 0.00 0.01 0.00 87.89 0.29 7 R E E 128.18 5.39 19.95 26.34 122.91 -154.15 -117.53 139.34 49.70 50.09 0.21 13.73 27.58 8.79 0.01 0.25 0.00 48.87 0.78 8 N C S 114.24 3.49 19.18 23.44 93.83 -1.43 60.59 30.46 91.52 8.31 0.17 5.97 71.90 13.06 0.01 0.18 0.00 8.51 0.37 9 L C S 36.27 17.95 11.07 28.57 129.33 110.57 -121.19 148.72 81.84 17.70 0.46 39.75 40.67 2.52 0.10 0.43 0.00 13.78 2.76 10 E C C 136.85 2.12 22.45 24.07 111.29 -128.76 -87.89 124.59 88.27 11.41 0.32 84.31 3.46 0.80 0.10 0.25 0.00 9.02 2.07 11 I C C 32.84 22.06 9.44 29.98 118.94 -158.90 -104.60 132.43 94.77 5.04 0.19 93.18 2.09 0.13 0.12 0.06 0.00 2.65 1.78 12 T C C 53.67 6.10 17.02 24.37 121.54 -134.38 -82.84 164.34 99.63 0.23 0.14 99.28 0.41 0.06 0.09 0.01 0.00 0.07 0.08 13 D H H 116.03 1.69 16.70 18.65 91.05 -104.96 -59.25 -37.06 2.19 0.00 97.80 0.32 0.29 1.32 97.69 0.38 0.00 0.00 0.00 14 A H H 51.61 4.99 17.23 23.27 91.61 54.04 -64.16 -39.09 1.10 0.00 98.89 0.13 0.08 0.76 98.57 0.46 0.00 0.00 0.00 15 I H H 11.87 21.16 13.80 34.88 92.03 48.83 -65.24 -41.32 0.27 0.00 99.73 0.04 0.02 0.16 99.46 0.32 0.00 0.00 0.00 16 R H H 87.25 13.03 17.80 30.74 91.37 52.44 -61.57 -42.18 0.10 0.00 99.90 0.01 0.01 0.05 99.86 0.06 0.00 0.00 0.00 17 D H H 85.46 1.73 23.31 22.75 91.51 49.48 -64.02 -41.44 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 18 Y H H 59.18 10.31 20.41 31.70 91.92 49.40 -64.51 -42.82 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 19 V H H 3.22 24.99 15.70 41.09 91.35 49.02 -63.81 -43.42 0.18 0.00 99.82 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 20 E H H 84.97 9.09 21.24 30.65 91.43 51.47 -62.85 -41.47 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.03 0.00 0.00 0.00 21 K H H 120.17 2.02 23.84 24.25 91.80 49.41 -64.27 -41.70 0.32 0.00 99.67 0.02 0.01 0.24 99.65 0.08 0.00 0.00 0.00 22 K H H 47.69 14.82 19.92 34.52 92.16 48.56 -65.64 -41.40 1.03 0.00 98.96 0.06 0.04 0.81 98.88 0.21 0.00 0.00 0.00 23 L H H 14.00 21.41 16.49 37.59 91.63 51.39 -64.04 -40.60 3.03 0.01 96.96 0.29 0.18 2.28 95.73 1.52 0.00 0.00 0.00 24 A H H 56.26 3.84 21.83 25.70 91.53 54.11 -63.70 -39.33 13.50 0.04 86.46 1.22 0.76 10.82 79.90 7.26 0.01 0.02 0.02 25 R H H 110.45 5.29 20.88 26.46 92.23 51.63 -67.30 -36.13 24.33 0.12 75.55 2.78 1.83 18.88 63.60 12.77 0.03 0.06 0.06 26 L H H 12.71 21.48 13.75 34.99 92.62 54.74 -66.34 -38.30 16.21 0.26 83.53 5.05 2.18 8.25 59.56 24.68 0.02 0.15 0.10 27 D H H 72.00 10.36 16.59 27.40 91.63 61.02 -64.53 -26.73 21.22 0.39 78.39 5.92 2.27 11.53 48.15 31.72 0.03 0.23 0.16 28 R H H 156.88 2.54 18.67 21.21 92.84 58.72 -71.25 -25.07 33.67 0.41 65.92 3.87 3.29 24.24 37.35 30.73 0.08 0.23 0.22 29 Y H H 93.83 11.15 14.95 26.52 100.33 44.02 -95.80 -13.50 44.72 1.01 54.27 6.59 7.16 29.76 32.13 22.99 0.21 0.53 0.62 30 Q C C 49.66 16.26 10.44 25.95 118.71 63.00 -109.22 133.85 78.65 9.09 12.26 47.70 21.38 9.12 9.40 3.15 0.03 3.73 5.49 31 D C C 119.73 1.89 17.01 18.86 102.03 -156.13 -88.18 30.08 92.14 3.61 4.25 38.42 27.62 26.74 1.22 2.80 0.00 2.22 0.97 32 G C S 40.80 6.63 16.02 23.37 117.74 11.62 96.24 -162.54 93.11 3.64 3.25 17.23 49.93 26.39 0.41 2.65 0.00 2.69 0.69 33 E C C 105.01 6.87 18.19 25.89 114.92 -37.91 -90.22 127.47 83.54 13.74 2.73 67.79 10.56 4.52 0.47 2.38 0.00 13.31 0.98 34 L C C 31.16 20.18 13.71 33.07 115.49 -163.74 -100.10 127.76 61.73 37.41 0.86 49.91 9.32 1.46 0.18 0.62 0.00 37.67 0.84 35 M E E 84.70 7.81 25.08 33.13 121.07 -165.52 -115.17 132.83 14.73 85.02 0.25 12.62 1.76 0.31 0.07 0.14 0.00 84.65 0.45 36 A E E 6.24 24.41 14.51 38.98 131.42 -175.26 -131.18 148.57 4.49 95.49 0.02 3.90 0.29 0.03 0.01 0.01 0.00 95.70 0.06 37 K E E 88.21 7.26 27.07 35.06 119.63 -153.31 -113.56 129.13 0.88 99.12 0.00 0.72 0.05 0.00 0.00 0.00 0.00 99.22 0.01 38 V E E 5.20 25.72 16.44 42.92 120.82 -164.76 -116.54 129.02 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 39 V E E 39.53 9.21 27.49 37.88 117.94 -166.06 -115.39 124.39 0.14 99.86 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.88 0.00 40 L E E 7.70 24.60 17.94 42.88 119.96 -166.14 -111.73 128.39 0.37 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 41 S E E 32.75 9.46 25.29 35.34 125.60 -172.85 -122.84 139.21 2.85 97.13 0.02 2.50 0.22 0.03 0.00 0.01 0.00 97.17 0.08 42 L E E 37.43 18.45 15.67 33.67 115.27 -153.68 -104.06 123.31 21.45 78.19 0.36 18.49 2.33 0.56 0.10 0.22 0.00 77.62 0.69 43 A C E 55.47 7.90 17.68 26.40 114.54 -169.62 -94.96 133.63 59.59 39.31 1.10 29.21 21.62 10.07 0.17 0.94 0.00 36.91 1.09 44 G C S 42.93 4.25 16.07 21.40 121.28 21.02 123.45 -172.97 80.70 18.23 1.07 32.51 35.61 13.32 0.17 1.04 0.00 15.79 1.56 45 S C C 56.61 6.91 12.39 20.73 117.45 -52.75 -100.43 135.18 89.10 8.69 2.21 63.65 20.57 4.76 0.88 1.48 0.00 5.96 2.71 46 P C T 89.22 5.57 11.27 18.46 100.84 -120.44 -66.93 -18.52 85.75 1.23 13.02 20.27 22.55 43.63 3.81 8.44 0.00 0.63 0.66 47 H C T 143.91 2.47 12.65 15.95 99.89 49.86 -81.73 -7.42 84.15 1.56 14.29 21.32 20.58 43.08 4.72 8.63 0.01 0.79 0.88 48 V C C 79.92 6.11 11.01 18.59 111.21 58.69 -97.76 109.74 79.07 4.77 16.16 31.18 24.21 25.20 5.52 9.32 0.03 2.45 2.10 49 E C C 119.26 5.74 14.27 21.16 103.04 -119.36 -74.66 54.66 81.59 6.83 11.58 42.99 17.44 22.01 3.75 7.40 0.01 4.73 1.68 50 K C C 99.33 9.46 15.45 25.50 108.52 98.36 -90.36 98.13 73.28 16.17 10.55 41.17 18.35 15.09 2.92 7.06 0.03 13.37 2.03 51 K C C 81.25 10.84 18.62 29.74 115.82 95.97 -103.72 129.19 54.98 38.66 6.35 38.07 10.51 7.16 1.72 4.02 0.01 36.94 1.58 52 A E E 12.20 18.99 16.80 36.05 125.48 -156.40 -116.99 141.95 26.23 71.81 1.96 20.56 4.39 1.83 0.60 1.07 0.00 70.92 0.63 53 R E E 83.18 11.69 24.82 36.46 128.33 -166.65 -127.56 139.53 5.91 93.90 0.19 5.13 0.52 0.11 0.08 0.07 0.00 93.92 0.17 54 A E E 3.98 24.28 17.56 42.36 127.03 -170.39 -126.01 142.67 1.84 98.12 0.04 1.64 0.08 0.01 0.02 0.01 0.00 98.21 0.03 55 E E E 57.85 9.72 26.59 37.16 119.19 -156.38 -112.52 128.96 0.46 99.52 0.02 0.40 0.02 0.00 0.01 0.00 0.00 99.56 0.01 56 I E E 5.19 25.04 17.18 42.86 123.26 -170.39 -119.57 133.69 0.23 99.76 0.01 0.21 0.00 0.00 0.01 0.00 0.00 99.78 0.00 57 Q E E 59.57 8.64 26.41 35.79 117.57 -161.92 -112.66 124.97 0.20 99.79 0.01 0.18 0.00 0.00 0.00 0.00 0.00 99.80 0.00 58 V E E 7.85 23.04 16.19 39.61 120.92 -170.47 -119.09 127.81 0.38 99.62 0.01 0.33 0.01 0.00 0.00 0.00 0.00 99.64 0.01 59 D E E 77.03 5.40 23.62 29.26 110.62 -144.12 -92.90 117.97 4.16 95.83 0.01 3.54 0.29 0.03 0.00 0.01 0.00 96.05 0.07 60 L E E 26.66 18.37 10.67 28.62 129.62 169.32 -125.13 159.25 25.95 73.95 0.10 22.36 2.76 0.36 0.02 0.08 0.00 73.69 0.71 61 P C T 100.45 3.49 15.97 20.36 98.84 -94.07 -61.99 -23.70 98.74 0.69 0.57 1.20 15.63 81.95 0.02 0.58 0.00 0.54 0.08 62 G C T 58.39 2.11 15.32 17.63 97.77 26.12 -27.04 0.90 99.13 0.30 0.58 1.32 15.57 82.20 0.02 0.62 0.00 0.22 0.04 63 G E E 25.19 5.91 17.30 24.68 139.31 -54.83 143.35 -176.33 25.57 74.20 0.22 16.78 8.12 1.59 0.03 0.20 0.00 72.75 0.51 64 L E E 75.68 11.18 16.65 28.40 121.81 -59.55 -110.45 137.22 3.93 96.06 0.01 3.54 0.18 0.01 0.00 0.00 0.00 96.17 0.09 65 V E E 24.40 17.77 16.62 34.77 122.31 -164.80 -117.86 131.98 0.60 99.39 0.00 0.54 0.02 0.00 0.00 0.00 0.00 99.43 0.01 66 R E E 102.98 10.98 22.75 33.82 122.72 -162.94 -116.01 133.02 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 67 V E E 15.52 20.87 17.21 37.95 127.97 -174.10 -128.90 140.05 0.51 99.49 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.53 0.00 68 E E E 77.77 11.45 23.60 35.08 128.86 -169.92 -130.24 139.50 0.48 99.52 0.00 0.40 0.02 0.00 0.00 0.00 0.00 99.58 0.01 69 E E E 30.80 18.83 17.47 36.08 130.63 -174.05 -134.97 144.19 1.25 98.75 0.00 1.13 0.03 0.00 0.00 0.00 0.00 98.82 0.02 70 E E E 101.03 8.07 21.57 30.82 126.21 -170.07 -127.35 135.87 6.21 93.78 0.01 5.51 0.48 0.03 0.00 0.00 0.00 93.79 0.19 71 D E E 33.10 12.78 15.47 29.63 138.36 154.09 -148.80 162.27 45.06 54.90 0.03 41.78 2.29 0.12 0.01 0.02 0.00 54.99 0.78 72 A C S 87.43 2.66 18.94 22.36 92.53 -120.13 -74.06 -20.26 99.63 0.35 0.02 1.72 97.33 0.71 0.00 0.01 0.00 0.21 0.02 73 D C S 71.42 5.84 21.39 27.67 121.91 43.95 -122.50 123.37 98.60 1.25 0.15 24.26 74.38 0.30 0.11 0.03 0.00 0.33 0.59 74 L H H 24.79 22.08 14.61 36.25 92.89 -142.54 -61.28 -38.07 2.50 0.01 97.49 0.25 0.54 1.68 96.95 0.56 0.00 0.00 0.00 75 Y H H 102.68 11.19 21.93 32.83 92.02 53.88 -63.40 -41.78 1.20 0.00 98.80 0.09 0.11 0.97 98.31 0.52 0.00 0.00 0.00 76 A H H 40.00 4.27 24.19 28.73 91.07 49.43 -64.29 -40.90 0.37 0.00 99.63 0.05 0.03 0.23 99.24 0.45 0.00 0.00 0.00 77 A H H 4.55 19.92 18.69 39.42 91.26 51.46 -62.97 -43.58 0.14 0.00 99.86 0.02 0.01 0.07 99.83 0.07 0.00 0.00 0.00 78 I H H 6.81 24.33 21.01 44.91 91.46 49.25 -63.84 -43.03 0.09 0.00 99.91 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 79 D H H 71.01 6.71 26.37 33.47 91.37 50.69 -63.61 -41.87 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 80 R H H 94.47 6.97 26.24 33.73 91.89 48.98 -65.18 -41.49 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 81 A H H 2.06 24.39 19.95 44.66 91.32 49.61 -64.13 -43.43 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 82 V H H 19.02 19.44 21.97 40.68 91.28 50.61 -62.56 -42.91 0.14 0.00 99.86 0.01 0.00 0.08 99.90 0.01 0.00 0.00 0.00 83 D H H 81.32 3.02 26.54 28.90 91.41 50.18 -63.72 -41.93 0.19 0.00 99.81 0.02 0.01 0.10 99.86 0.01 0.00 0.00 0.00 84 R H H 87.58 9.15 23.95 33.24 91.89 48.88 -65.36 -41.59 0.19 0.00 99.81 0.02 0.01 0.11 99.85 0.01 0.00 0.00 0.00 85 L H H 3.40 25.20 17.79 43.30 91.39 49.30 -64.32 -43.00 0.19 0.00 99.80 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 86 E H H 65.80 12.96 21.93 34.48 91.29 51.35 -62.27 -42.19 0.35 0.00 99.64 0.05 0.02 0.20 99.69 0.04 0.00 0.00 0.00 87 T H H 70.01 2.38 24.51 25.31 91.46 49.46 -64.23 -42.07 0.62 0.00 99.37 0.08 0.04 0.38 99.43 0.07 0.00 0.00 0.00 88 Q H H 42.78 11.26 20.53 32.64 91.96 49.47 -65.22 -41.38 0.81 0.00 99.19 0.14 0.06 0.46 99.24 0.10 0.00 0.00 0.00 89 V H H 8.98 21.40 16.01 37.57 91.71 50.03 -64.32 -42.21 1.11 0.01 98.88 0.24 0.09 0.61 98.84 0.21 0.00 0.00 0.00 90 K H H 101.79 5.05 20.91 26.41 91.49 51.50 -63.43 -41.02 2.04 0.01 97.95 0.40 0.15 1.25 97.75 0.43 0.00 0.00 0.00 91 R H H 126.46 2.47 20.82 22.46 91.97 50.05 -64.96 -40.50 4.19 0.02 95.79 0.66 0.34 2.89 95.31 0.76 0.00 0.01 0.01 92 F H H 43.62 12.40 15.39 28.99 92.74 49.69 -66.30 -39.90 6.94 0.05 93.01 1.55 0.83 4.29 92.16 1.11 0.01 0.02 0.02 93 R H H 95.97 10.07 15.37 26.11 92.64 52.26 -66.01 -38.16 13.86 0.15 85.99 4.03 1.87 7.72 84.50 1.73 0.02 0.07 0.06 94 E H H 114.00 2.43 15.87 18.44 93.24 52.04 -68.29 -35.43 25.33 0.31 74.36 8.03 3.64 13.63 72.02 2.38 0.02 0.14 0.14 95 R H H 136.66 3.65 14.42 19.00 94.28 54.17 -71.62 -33.30 34.83 0.69 64.48 15.10 6.71 13.81 60.45 3.27 0.03 0.32 0.31 96 R H H 122.22 6.69 13.30 21.06 98.78 52.91 -80.61 -26.59 43.29 1.29 55.42 21.54 7.68 14.62 51.62 3.34 0.03 0.65 0.51 97 Y C H 120.94 6.24 12.40 19.96 103.36 52.77 -92.03 21.75 55.98 2.10 41.93 32.80 9.13 13.43 39.67 3.07 0.03 1.05 0.82 98 V C H 84.59 5.52 11.86 18.92 106.24 118.61 -84.57 100.33 60.13 1.77 38.10 30.71 10.78 18.20 34.91 3.74 0.04 0.85 0.76 99 G C C 45.89 4.23 13.31 18.66 102.75 23.93 37.35 -18.54 69.22 0.83 29.95 30.67 13.48 25.14 24.55 5.33 0.01 0.35 0.47 100 K C C 120.66 4.86 11.91 18.24 101.03 64.37 -80.38 -11.93 62.03 1.11 36.87 30.85 13.69 18.03 27.67 8.64 0.02 0.48 0.63 101 R C C 139.78 4.82 12.34 18.58 100.16 65.85 -77.42 -19.75 59.02 1.92 39.06 30.57 12.77 16.60 28.18 9.97 0.04 0.90 0.98 102 H C C 111.85 6.52 12.02 19.77 102.49 56.46 -85.75 1.88 62.97 2.24 34.78 35.30 13.63 14.64 24.69 9.53 0.02 1.08 1.09 103 S C C 66.75 5.73 12.22 19.33 105.38 85.33 -87.16 26.20 71.90 2.87 25.22 46.13 11.55 14.13 17.73 7.61 0.01 1.55 1.29 104 Y C C 135.41 6.85 10.92 19.02 107.02 101.28 -88.67 64.95 78.81 4.37 16.82 52.77 14.01 11.71 12.30 4.82 0.01 2.37 2.01 105 Q C C 131.29 2.79 12.61 16.75 106.79 80.19 -90.81 42.91 87.75 3.72 8.53 58.18 18.26 11.15 6.00 2.60 0.00 1.80 1.99 106 G C C 38.45 5.24 12.71 19.43 127.91 -86.90 114.62 175.93 98.18 1.17 0.65 60.25 34.56 3.51 0.24 0.36 0.00 0.53 0.56 107 P C C 89.67 4.74 13.76 19.88 115.86 -51.12 -75.82 147.54 99.35 0.50 0.16 74.45 24.18 0.77 0.06 0.08 0.00 0.19 0.27 108 P C C 68.88 8.89 11.77 21.92 114.87 -102.75 -68.34 148.90 99.49 0.23 0.28 88.79 10.13 0.58 0.17 0.08 0.00 0.08 0.16 109 P C C 69.35 7.07 12.76 21.42 113.56 -103.89 -67.18 150.11 91.99 0.20 7.81 84.80 4.36 3.02 6.37 1.24 0.00 0.08 0.13 110 P C C 89.13 4.96 12.49 18.93 100.62 -106.71 -66.28 -15.68 65.74 0.89 33.37 48.14 7.43 9.86 27.14 6.57 0.00 0.44 0.42 111 E C H 111.71 4.88 13.16 19.31 108.48 56.08 -84.51 100.94 51.22 2.77 46.01 38.26 6.41 7.10 38.29 7.39 0.01 1.73 0.82 112 V H H 68.25 9.10 10.23 20.37 97.04 59.22 -71.06 -35.63 34.07 3.88 62.06 25.83 5.13 5.05 51.59 8.79 0.02 2.81 0.79 113 R H H 139.38 3.67 12.94 17.90 95.72 55.68 -69.88 -34.93 31.40 3.95 64.65 22.76 4.77 5.63 54.39 8.72 0.02 2.96 0.75 114 D H H 86.86 3.66 12.08 17.03 96.02 53.84 -73.79 -22.13 32.30 3.80 63.90 22.55 4.67 6.59 53.35 9.26 0.02 2.83 0.74 115 L H H 89.10 7.18 9.40 17.91 96.38 57.09 -71.48 -26.33 30.23 2.61 67.16 17.33 5.68 8.70 54.95 10.89 0.04 1.77 0.64 116 E H H 130.74 2.91 10.32 14.75 97.36 64.59 -74.13 -23.18 40.68 3.10 56.21 21.12 7.14 13.51 46.05 9.20 0.05 2.09 0.84 117 A C C 81.29 2.27 9.60 13.26 101.87 64.70 -81.68 -0.13 60.34 2.67 36.99 38.99 2.67 18.61 30.53 6.44 0.01 1.70 1.06 118 L C C 104.49 5.59 9.70 16.85 106.30 88.85 -83.54 69.70 99.83 0.05 0.12 99.65 0.10 0.13 0.07 0.01 0.00 0.02 0.01