# 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 75.45 11.50 17.70 29.50 116.61 -153.98 -90.56 131.83 99.65 0.35 0.00 99.66 0.08 0.02 0.00 0.00 0.00 0.23 0.01 1 V C C 42.15 12.72 14.15 27.95 124.00 -164.38 -112.88 141.38 54.46 45.32 0.23 52.16 1.21 0.35 0.09 0.12 0.00 41.49 4.58 2 K E E 112.64 6.02 15.11 22.68 119.80 -145.72 -104.58 135.89 16.17 83.52 0.31 13.21 1.21 0.16 0.31 0.10 0.00 42.53 42.49 3 G C C 20.28 11.34 9.82 22.07 124.96 -142.33 -87.99 175.88 90.28 9.32 0.40 85.73 3.00 1.31 0.08 0.31 0.00 8.12 1.45 4 R C T 176.68 2.69 11.83 16.07 93.37 -89.21 -65.78 -23.94 94.77 2.39 2.84 4.48 13.44 76.23 0.13 3.36 0.00 1.94 0.41 5 T C T 104.87 1.51 11.62 13.52 95.43 48.35 -89.00 0.90 96.55 0.40 3.05 2.26 10.50 83.08 0.11 3.65 0.00 0.27 0.13 6 G C S 47.67 3.75 11.76 17.16 98.05 -101.46 85.17 5.45 95.29 1.96 2.75 18.64 67.98 8.49 0.20 2.77 0.00 1.34 0.58 7 Q C C 93.25 4.24 13.10 19.23 118.51 133.47 -83.56 145.73 91.13 8.67 0.20 79.56 10.31 0.90 0.06 0.15 0.00 7.94 1.08 8 R E E 127.41 7.56 14.74 23.71 115.03 -112.99 -80.43 136.28 13.48 86.32 0.20 11.46 0.97 0.13 0.20 0.07 0.00 44.01 43.16 9 V C C 26.74 16.52 13.90 30.98 124.72 -164.83 -118.81 140.19 53.67 46.22 0.11 51.69 1.49 0.17 0.04 0.06 0.00 45.43 1.12 10 R C C 109.70 9.39 20.90 30.62 116.97 -138.32 -98.90 129.67 52.70 47.19 0.11 49.15 2.32 0.25 0.03 0.07 0.00 46.73 1.44 11 L E E 22.57 20.16 16.67 36.48 122.60 -165.78 -112.98 137.35 43.99 55.91 0.10 38.58 3.98 0.32 0.02 0.07 0.00 56.25 0.77 12 Y E E 86.46 11.79 22.93 34.62 122.88 -156.86 -112.22 136.27 22.25 77.69 0.06 18.83 2.83 0.18 0.01 0.04 0.00 77.55 0.54 13 V E E 10.64 22.62 17.74 40.34 127.94 -172.44 -127.14 140.67 9.40 90.59 0.02 8.64 0.48 0.03 0.01 0.01 0.00 90.47 0.36 14 R E E 102.51 9.24 25.79 35.33 118.90 -137.95 -99.23 134.44 7.21 92.78 0.01 6.47 0.35 0.02 0.00 0.00 0.00 93.01 0.14 15 G E E 3.96 21.92 18.66 40.48 142.28 155.12 -154.41 172.02 4.62 95.38 0.00 3.93 0.32 0.01 0.00 0.00 0.00 95.70 0.04 16 T E E 42.31 9.46 26.52 37.27 125.34 -107.53 -119.78 140.76 0.57 99.43 0.00 0.49 0.02 0.00 0.00 0.00 0.00 99.47 0.01 17 I E E 15.35 23.07 16.81 40.21 109.55 -119.85 -78.58 123.10 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.02 18 L E E 59.59 9.40 23.17 33.36 100.49 175.66 -98.86 -22.42 4.40 95.59 0.01 3.16 0.76 0.08 0.00 0.01 0.00 95.96 0.04 19 G E E 14.89 9.20 24.11 34.59 145.13 -31.24 172.80 170.61 17.45 82.53 0.03 8.96 7.33 0.45 0.00 0.02 0.00 83.14 0.10 20 Y E E 56.43 19.92 14.99 33.99 131.93 -131.65 -138.87 149.34 15.73 84.17 0.10 14.71 0.79 0.09 0.04 0.04 0.00 83.12 1.20 21 K E E 82.98 8.36 18.94 28.32 120.55 -145.91 -115.90 133.83 29.94 69.87 0.20 26.70 2.44 0.37 0.07 0.13 0.00 66.59 3.70 22 R C E 125.61 8.53 13.58 23.33 116.47 -149.86 -97.78 131.79 52.25 47.56 0.19 40.72 10.59 1.00 0.05 0.17 0.00 45.37 2.11 23 S C C 44.27 6.26 11.07 19.12 127.59 -154.16 -118.47 168.04 68.78 30.86 0.36 54.87 11.64 1.81 0.10 0.35 0.00 26.34 4.88 24 K C T 172.29 1.19 10.67 12.25 93.44 -93.52 -64.25 -29.83 91.63 2.61 5.76 4.93 28.55 58.13 0.31 5.72 0.00 1.61 0.74 25 S C T 97.15 0.65 11.27 11.00 99.21 42.06 -89.79 -7.89 93.75 0.55 5.71 3.71 24.01 65.39 0.28 6.08 0.00 0.30 0.23 26 N C T 96.77 5.43 10.52 17.37 105.47 11.44 -104.90 53.64 77.25 17.03 5.72 19.00 26.50 33.51 0.53 5.54 0.02 12.23 2.67 27 Q C C 96.79 6.59 11.44 19.64 115.16 149.60 -87.12 135.95 54.24 44.75 1.01 41.40 8.91 3.06 0.40 0.80 0.00 34.18 11.25 28 Y C C 93.76 10.21 12.83 24.08 114.94 -146.72 -101.30 126.52 57.86 41.65 0.49 48.94 6.99 1.27 0.17 0.40 0.00 37.33 4.90 29 E C S 108.08 6.70 17.33 25.00 107.21 -151.32 -81.21 62.46 68.60 30.93 0.46 18.18 30.76 19.58 0.04 0.45 0.00 30.34 0.65 30 T C E 67.18 10.23 18.59 28.80 101.27 12.38 -93.13 44.28 60.54 39.12 0.34 16.17 25.44 17.36 0.02 0.35 0.00 40.29 0.37 31 A E E 19.54 15.47 18.63 34.73 127.10 126.38 -110.92 148.14 27.22 72.75 0.03 24.16 1.75 0.11 0.00 0.02 0.00 73.65 0.31 32 S E E 10.13 19.03 21.19 40.23 132.08 -164.95 -131.08 150.46 3.60 96.40 0.00 3.25 0.15 0.01 0.00 0.00 0.00 96.52 0.08 33 L E E 26.75 17.17 24.70 41.43 118.85 -138.55 -105.09 130.80 1.16 98.84 0.00 0.89 0.13 0.00 0.00 0.00 0.00 98.96 0.02 34 V E E 5.52 24.02 21.18 45.20 121.36 -164.27 -116.20 130.87 0.54 99.46 0.00 0.44 0.03 0.00 0.00 0.00 0.00 99.53 0.01 35 Q E E 60.77 11.83 26.48 38.35 116.62 -155.00 -103.33 125.15 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 36 I E E 6.86 24.74 16.26 41.55 115.33 -163.15 -108.52 123.10 3.69 96.29 0.01 3.63 0.07 0.01 0.00 0.01 0.00 96.15 0.13 37 E E E 105.93 5.76 23.33 29.76 118.77 -148.40 -87.08 142.21 31.93 67.91 0.16 10.88 8.35 12.15 0.01 0.19 0.00 67.92 0.51 38 G C S 39.57 5.12 22.63 28.57 96.20 20.21 79.88 6.00 78.48 21.44 0.09 15.49 38.53 23.52 0.00 0.13 0.00 22.04 0.28 39 V C C 10.65 23.23 10.80 33.77 110.86 144.53 -87.96 118.98 78.45 21.48 0.07 78.14 1.37 0.17 0.03 0.04 0.00 17.54 2.71 40 N C C 97.21 5.49 20.81 27.19 102.77 162.86 -111.80 -2.94 98.33 1.63 0.03 84.48 13.78 0.20 0.01 0.02 0.00 1.19 0.31 41 T C S 62.65 3.90 22.01 25.79 134.08 47.99 -131.83 160.24 98.71 0.80 0.50 12.03 86.59 0.24 0.44 0.03 0.00 0.11 0.57 42 R H H 124.43 11.59 13.85 25.82 91.70 -112.02 -59.20 -37.32 1.03 0.00 98.97 0.07 0.14 0.71 98.43 0.64 0.00 0.00 0.00 43 E H H 136.31 1.42 20.53 20.79 91.22 54.12 -63.76 -40.19 0.50 0.00 99.50 0.04 0.03 0.36 98.62 0.95 0.00 0.00 0.00 44 D H H 40.58 11.80 17.96 30.56 92.13 48.73 -66.07 -40.05 0.24 0.00 99.76 0.03 0.01 0.16 98.60 1.19 0.00 0.00 0.00 45 V H H 3.88 25.33 13.73 39.30 91.51 51.21 -64.26 -41.82 0.28 0.00 99.72 0.02 0.01 0.21 98.81 0.94 0.00 0.00 0.00 46 A H H 52.36 8.61 22.24 31.24 91.01 54.37 -63.27 -36.16 2.43 0.00 97.57 0.08 0.06 2.36 90.42 7.07 0.00 0.00 0.00 47 W H H 123.07 6.40 24.27 31.13 91.57 56.10 -67.59 -31.00 11.40 0.00 88.59 0.11 0.15 12.90 79.84 6.98 0.00 0.00 0.00 48 Y H H 8.45 23.95 17.70 41.97 95.32 47.70 -90.81 -13.97 29.62 0.07 70.31 0.88 1.03 28.41 62.25 7.31 0.04 0.02 0.05 49 G C T 18.52 18.23 17.59 35.51 111.29 114.36 -62.65 132.69 91.18 0.40 8.41 0.59 1.12 90.18 6.61 1.07 0.00 0.13 0.30 50 G C T 39.82 6.37 23.18 30.43 96.22 20.01 87.05 -4.23 97.25 0.17 2.58 0.62 2.24 94.95 1.30 0.76 0.00 0.10 0.03 51 K C C 64.70 14.71 20.13 34.57 120.50 123.14 -80.46 149.77 96.68 3.27 0.04 86.26 10.07 0.18 0.01 0.03 0.00 3.33 0.12 52 R E E 87.06 13.76 23.93 37.08 121.87 -127.47 -101.57 138.96 6.70 93.28 0.02 6.48 0.31 0.02 0.01 0.01 0.00 92.60 0.57 53 M E E 6.89 23.93 20.74 44.47 134.28 -174.18 -135.51 152.28 0.45 99.55 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.58 0.01 54 A E E 9.25 19.55 25.06 44.30 122.45 -140.63 -110.62 137.53 0.20 99.80 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.82 0.00 55 Y E E 16.02 21.45 22.95 43.75 130.13 -172.85 -128.23 145.41 0.19 99.81 0.00 0.15 0.01 0.00 0.00 0.00 0.00 99.84 0.00 56 V E E 25.57 15.87 22.62 38.82 118.06 -147.81 -110.81 127.22 0.70 99.30 0.00 0.58 0.02 0.00 0.00 0.00 0.00 99.38 0.01 57 Y E E 36.98 16.09 18.57 35.11 127.65 -171.02 -122.10 145.19 2.97 97.00 0.03 2.58 0.18 0.03 0.01 0.01 0.00 97.13 0.07 58 K E E 106.54 7.30 19.94 27.85 115.20 -125.21 -90.77 131.80 14.36 85.37 0.27 12.71 1.24 0.24 0.08 0.12 0.00 85.15 0.45 59 A E E 27.52 15.99 10.32 26.15 118.82 -140.95 -88.37 143.90 43.84 53.67 2.49 36.84 5.02 1.58 0.87 1.25 0.00 53.40 1.05 60 K C E 141.90 2.51 15.04 18.33 111.96 -132.28 -86.77 131.65 57.41 38.04 4.56 31.41 21.32 6.75 1.37 2.63 0.03 34.98 1.51 61 T C C 85.52 4.56 10.29 16.63 115.56 -123.41 -96.13 132.56 60.57 33.07 6.37 36.59 18.61 7.72 2.49 3.74 0.06 27.39 3.41 62 K C C 129.07 4.07 8.75 14.73 112.62 -154.97 -98.01 130.97 74.90 17.09 8.01 51.94 13.79 9.55 3.03 4.84 0.02 13.55 3.28 63 S C T 97.64 0.87 9.93 10.89 100.53 -88.28 -76.72 -15.93 85.52 4.92 9.55 23.43 23.28 40.01 2.33 6.41 0.02 3.21 1.31 64 N C T 130.18 1.20 10.34 11.85 101.34 34.19 -92.13 15.84 91.09 1.29 7.62 14.58 22.98 53.80 1.53 5.83 0.00 0.79 0.51 65 G C S 44.00 3.61 11.36 16.34 115.31 -78.76 99.64 -12.75 85.30 10.65 4.05 25.49 37.95 22.57 0.57 3.48 0.00 8.28 1.65 66 T C C 77.52 6.21 11.65 19.42 116.05 -51.17 -96.63 135.04 75.28 23.45 1.27 58.51 10.61 4.34 0.23 1.13 0.00 23.79 1.39 67 H E E 88.11 8.03 14.05 23.57 122.41 -161.27 -111.63 139.31 42.47 56.96 0.57 32.19 8.54 1.96 0.11 0.50 0.00 55.57 1.14 68 Y E E 89.17 12.42 15.08 28.14 124.24 -155.93 -117.68 138.84 19.73 80.17 0.11 16.73 2.17 0.30 0.02 0.08 0.00 80.35 0.35 69 R E E 81.55 12.48 18.67 31.43 124.60 -164.40 -119.28 138.70 7.10 92.86 0.03 6.31 0.56 0.07 0.01 0.02 0.00 92.90 0.13 70 C E E 30.65 15.79 19.54 35.44 124.65 -157.03 -114.50 139.93 2.53 97.47 0.00 2.29 0.12 0.00 0.00 0.00 0.00 97.54 0.04 71 I E E 15.23 19.50 20.50 40.20 122.83 -163.11 -117.71 134.22 0.90 99.10 0.00 0.84 0.02 0.00 0.00 0.00 0.00 99.12 0.02 72 W E E 70.43 14.01 24.23 37.95 122.35 -159.57 -108.71 136.82 1.76 98.24 0.00 1.45 0.09 0.00 0.00 0.00 0.00 98.42 0.02 73 G E E 6.53 17.09 21.90 39.13 143.86 135.15 -165.56 -174.02 2.00 98.00 0.00 1.42 0.30 0.01 0.00 0.00 0.00 98.26 0.02 74 K E E 85.76 8.51 26.05 35.48 124.18 -75.25 -107.95 144.10 0.99 99.01 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.06 0.05 75 V E E 13.15 23.61 14.84 39.01 110.26 -113.44 -74.28 126.97 3.85 96.15 0.00 3.88 0.06 0.00 0.00 0.00 0.00 95.77 0.29 76 S E E 46.73 8.27 22.25 31.35 101.55 176.66 -96.66 -30.87 30.40 69.59 0.01 17.49 12.71 0.22 0.00 0.01 0.00 69.33 0.24 77 R E E 117.14 4.28 23.88 28.86 135.15 2.25 -148.62 143.22 39.95 60.04 0.01 10.04 28.76 0.34 0.00 0.01 0.00 60.67 0.18 78 P C E 59.53 15.28 16.05 30.87 115.54 -107.42 -68.84 144.31 50.21 49.73 0.05 47.85 1.32 0.13 0.01 0.04 0.00 49.64 1.00 79 H E E 62.26 13.44 15.06 28.90 111.08 -146.69 -97.01 118.71 32.26 67.39 0.35 27.81 1.88 0.34 0.21 0.17 0.00 44.17 25.41 80 G C T 38.36 6.82 16.50 24.30 121.02 -151.11 -48.78 -155.00 85.13 6.91 7.96 14.56 19.28 49.99 0.31 9.54 0.00 5.28 1.03 81 N C T 132.65 2.04 15.43 17.57 94.06 -43.57 -71.32 -17.65 91.09 0.88 8.03 1.72 12.22 75.60 0.21 9.43 0.00 0.53 0.29 82 T C T 77.39 5.51 17.32 23.57 95.28 50.77 -92.99 -0.85 92.85 0.33 6.82 1.32 7.69 82.47 0.17 8.02 0.00 0.19 0.13 83 G C T 15.10 14.33 15.56 30.96 96.04 -109.94 82.67 9.87 96.40 1.71 1.88 18.19 23.33 54.81 0.14 1.98 0.00 1.26 0.29 84 V E E 30.80 12.63 20.71 34.65 117.83 140.71 -83.57 139.18 38.99 60.97 0.04 35.69 2.81 0.15 0.01 0.04 0.00 59.01 2.29 85 V E E 8.56 22.95 18.52 42.02 118.24 -143.33 -100.30 131.89 4.50 95.50 0.01 4.33 0.16 0.01 0.00 0.00 0.00 94.48 1.02 86 R E E 75.78 11.99 26.43 38.44 122.37 -160.82 -113.35 134.55 3.93 96.07 0.00 3.67 0.11 0.01 0.00 0.00 0.00 96.15 0.06 87 A E E 5.15 24.53 16.99 41.82 127.43 -169.27 -122.58 141.82 1.68 98.32 0.00 1.58 0.03 0.00 0.00 0.00 0.00 98.37 0.01 88 K E E 96.03 7.45 26.10 34.26 122.06 -158.91 -116.41 131.84 0.49 99.51 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.48 0.03 89 F E E 21.22 22.51 12.76 34.73 124.63 -161.52 -111.28 141.89 5.71 94.29 0.00 5.93 0.09 0.00 0.00 0.00 0.00 93.47 0.51 90 T C C 86.67 4.28 21.01 25.64 98.37 -154.19 -86.87 -17.03 77.44 22.32 0.24 39.69 33.94 2.83 0.02 0.29 0.00 22.80 0.43 91 S C S 52.37 5.12 20.30 25.94 137.16 19.80 -142.73 167.50 94.06 5.44 0.50 5.98 71.89 16.22 0.02 0.52 0.00 4.96 0.41 92 N C C 99.64 7.72 20.52 28.92 107.39 -87.72 -79.30 108.53 96.20 3.09 0.72 60.47 22.62 12.82 0.06 0.97 0.00 2.25 0.80 93 L C C 14.83 22.98 12.60 35.33 116.95 -151.31 -88.07 133.48 97.45 2.36 0.19 85.92 11.03 0.16 0.11 0.07 0.00 0.67 2.04 94 P C C 51.15 5.98 23.00 29.67 113.99 -112.03 -65.23 147.15 99.59 0.18 0.23 99.18 0.43 0.13 0.10 0.03 0.00 0.05 0.07 95 A H G 45.72 16.03 13.82 29.39 91.72 -115.17 -58.44 -34.54 20.93 0.14 78.93 4.07 2.56 12.91 26.48 53.84 0.00 0.08 0.06 96 E H G 141.81 2.16 20.30 22.81 90.86 61.87 -67.61 -22.40 15.45 0.13 84.42 1.97 1.62 10.62 28.07 57.59 0.00 0.08 0.04 97 A H G 26.35 15.60 16.57 32.24 93.22 61.43 -76.20 -19.09 14.16 0.21 85.63 2.67 1.90 8.69 26.28 60.27 0.00 0.13 0.05 98 M H T 32.93 21.41 15.89 35.88 103.93 69.07 -84.46 6.34 48.09 2.87 49.03 8.33 9.76 28.72 24.96 24.38 0.47 1.44 1.94 99 G C T 26.18 11.06 20.39 31.62 113.65 -113.02 85.66 -3.40 86.04 3.79 10.17 26.99 13.82 46.00 4.33 5.17 0.02 2.35 1.31 100 K C C 112.09 9.53 20.07 29.43 99.86 -73.00 -84.95 -16.26 85.96 10.30 3.74 42.70 35.20 8.74 0.93 2.52 0.00 8.82 1.09 101 K E E 94.65 8.38 22.99 31.89 124.41 37.37 -115.26 137.55 45.25 53.07 1.68 36.13 6.68 2.44 0.34 1.26 0.00 51.97 1.17 102 V E E 9.15 24.90 15.36 40.45 125.73 -165.61 -120.76 137.52 12.59 87.38 0.03 11.96 0.51 0.03 0.01 0.02 0.00 87.18 0.29 103 R E E 80.63 9.95 26.12 36.46 121.71 -159.64 -111.87 134.64 1.78 98.22 0.00 1.69 0.05 0.00 0.00 0.00 0.00 98.22 0.04 104 V E E 16.66 22.90 17.91 40.71 120.64 -158.94 -111.22 129.12 1.34 98.65 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.69 0.02 105 F E E 58.74 11.10 23.08 34.84 123.29 -168.29 -116.80 136.15 4.07 95.92 0.01 3.70 0.15 0.01 0.00 0.00 0.00 96.03 0.10 106 M E E 59.64 15.44 17.71 33.01 118.79 -149.31 -102.63 131.22 18.89 81.08 0.03 16.76 1.36 0.09 0.00 0.02 0.00 81.34 0.42 107 Y C C 77.69 11.61 14.83 27.49 120.26 -154.59 -106.13 137.10 66.94 32.92 0.13 60.55 4.77 0.33 0.02 0.12 0.00 33.59 0.61 108 P C C 73.42 6.72 14.06 22.13 108.70 -109.38 -67.74 144.24 76.18 15.60 8.22 44.92 15.75 15.12 0.68 8.65 0.00 13.89 0.99 109 S C C 76.32 4.85 10.54 16.96 104.02 -130.90 -82.19 15.55 85.24 4.51 10.24 30.90 25.79 28.02 0.67 10.69 0.00 3.04 0.88 110 S C C 86.31 2.35 10.62 14.36 103.50 69.33 -88.98 35.14 87.26 4.02 8.72 64.70 5.82 15.64 0.92 9.01 0.00 2.97 0.94 111 I C C 96.13 7.53 9.88 18.66 109.03 122.18 -90.23 94.85 99.86 0.12 0.02 99.80 0.08 0.04 0.01 0.00 0.00 0.06 0.01