# 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 D C C 90.45 6.18 17.79 24.72 105.32 -144.64 -81.80 78.08 99.92 0.07 0.01 99.81 0.11 0.03 0.00 0.00 0.00 0.04 0.00 1 R C C 107.05 10.64 15.44 26.46 120.25 149.19 -104.26 139.16 80.14 19.72 0.14 75.86 2.70 0.90 0.02 0.11 0.00 19.46 0.95 2 F E E 37.60 16.86 14.71 31.77 127.66 -162.28 -121.02 144.94 36.33 63.61 0.06 27.39 7.47 0.40 0.01 0.06 0.00 64.20 0.48 3 K E E 87.55 9.10 23.43 32.88 123.32 -149.89 -116.95 135.46 6.21 93.78 0.01 5.76 0.32 0.02 0.00 0.00 0.00 93.78 0.13 4 I E E 5.74 25.12 15.87 41.72 122.51 -164.59 -118.43 131.91 0.91 99.09 0.00 0.86 0.03 0.00 0.00 0.00 0.00 99.07 0.03 5 E E E 77.49 8.74 25.92 35.06 130.57 -175.07 -127.81 145.63 0.70 99.29 0.00 0.61 0.04 0.00 0.00 0.00 0.00 99.34 0.01 6 G E E 8.27 15.98 21.37 37.83 145.50 120.54 166.38 -176.59 1.16 98.84 0.00 0.90 0.14 0.01 0.00 0.00 0.00 98.95 0.01 7 R E E 79.35 11.05 26.51 38.44 129.19 -92.32 -128.11 146.14 1.28 98.72 0.00 1.13 0.06 0.00 0.00 0.00 0.00 98.76 0.04 8 A E E 2.26 26.22 19.01 46.14 118.49 -146.71 -106.53 129.80 5.45 94.53 0.02 4.89 0.41 0.03 0.01 0.01 0.00 94.46 0.19 9 V E E 32.30 12.59 24.99 38.11 124.04 -169.57 -119.91 135.89 20.92 79.07 0.02 19.37 1.16 0.04 0.01 0.01 0.00 78.07 1.34 10 V C C 23.75 18.05 16.72 34.94 115.50 -135.43 -92.64 131.83 87.35 12.59 0.06 84.27 2.64 0.21 0.01 0.05 0.00 11.96 0.86 11 P C T 75.32 8.74 16.00 25.65 110.11 -102.78 -62.51 138.81 96.96 1.50 1.54 5.29 10.87 80.60 0.14 1.58 0.00 1.17 0.34 12 G C T 64.43 0.90 17.04 16.48 96.05 18.90 82.25 -1.35 97.89 0.80 1.30 5.18 10.93 81.49 0.11 1.46 0.00 0.64 0.19 13 V C C 46.29 14.52 9.45 23.94 120.19 111.47 -99.15 141.08 93.99 4.06 1.95 54.72 34.27 4.43 0.42 1.63 0.00 1.60 2.94 14 K C C 132.22 3.55 17.17 21.77 115.29 -128.28 -90.08 135.22 97.18 1.71 1.11 71.45 21.80 3.80 0.27 0.94 0.00 0.84 0.90 15 P C C 67.02 11.55 12.82 24.61 103.93 -107.07 -66.60 93.12 77.58 1.53 20.88 40.67 14.88 20.59 2.40 19.99 0.00 0.78 0.69 16 Q C G 115.16 6.56 16.56 23.85 98.70 60.79 -77.05 -12.08 66.92 1.57 31.51 26.47 17.34 23.61 3.95 27.10 0.00 0.76 0.77 17 D C C 82.56 7.36 19.35 27.14 100.04 65.85 -83.94 4.38 61.23 3.05 35.72 30.59 15.88 16.18 5.10 29.52 0.00 1.67 1.06 18 W C C 47.86 18.54 17.88 35.48 98.63 89.23 -76.78 -29.88 64.29 12.54 23.16 40.38 14.56 10.50 6.16 16.56 0.03 7.71 4.08 19 I C C 14.37 23.30 18.34 40.70 106.03 52.38 -94.33 88.43 49.80 38.26 11.94 38.44 7.31 4.99 4.85 7.24 0.08 30.66 6.44 20 S C T 44.46 10.42 23.74 34.16 97.51 127.62 -79.21 -29.28 59.71 35.58 4.71 13.55 14.93 34.48 1.27 2.98 0.04 30.22 2.54 21 A C E 45.56 9.26 25.73 35.41 118.70 13.37 -148.48 115.05 59.30 38.41 2.30 10.44 14.06 35.73 0.30 1.63 0.00 37.23 0.59 22 A E E 3.62 25.69 16.32 42.28 126.38 144.62 -113.56 147.04 46.27 53.64 0.08 42.71 2.06 0.15 0.02 0.06 0.00 54.72 0.28 23 R E E 75.59 11.17 28.38 40.30 125.37 -159.81 -121.24 136.94 1.14 98.85 0.01 1.04 0.05 0.00 0.00 0.00 0.00 98.83 0.07 24 V E E 1.82 26.96 19.70 47.79 119.83 -160.29 -113.70 128.52 0.25 99.74 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.77 0.00 25 L E E 32.33 11.13 26.29 38.47 120.14 -165.77 -114.46 129.64 0.60 99.40 0.00 0.51 0.03 0.00 0.00 0.00 0.00 99.43 0.03 26 V E E 7.88 22.56 15.85 38.85 117.12 -158.59 -110.15 122.88 13.28 86.58 0.14 10.88 1.73 0.44 0.02 0.11 0.00 86.42 0.40 27 D C T 76.43 11.02 17.95 29.05 98.28 -47.84 30.36 65.02 93.24 4.74 2.02 2.89 10.28 79.78 0.09 2.18 0.00 4.39 0.40 28 G C T 57.03 2.74 17.65 20.75 95.11 -36.58 82.72 0.79 96.45 0.86 2.69 2.71 12.43 80.92 0.13 3.00 0.00 0.64 0.18 29 E C S 83.77 9.03 13.85 24.15 127.46 100.69 -108.04 156.04 89.46 7.55 2.99 16.06 48.70 25.05 0.26 3.01 0.00 5.24 1.69 30 E C S 134.64 3.86 18.83 23.51 97.22 -128.71 -79.05 -5.11 90.22 9.17 0.61 24.07 44.25 21.68 0.05 0.69 0.00 8.67 0.60 31 H E E 48.74 15.93 16.72 32.49 128.92 81.72 -119.88 146.36 46.59 53.26 0.15 37.82 6.90 0.77 0.02 0.15 0.00 53.57 0.77 32 V E E 42.86 14.94 22.35 36.91 129.01 -165.30 -125.23 143.41 7.22 92.76 0.02 6.79 0.37 0.03 0.01 0.01 0.00 92.28 0.51 33 G E E 4.89 21.72 20.39 41.67 139.11 -157.60 -137.85 162.57 2.47 97.52 0.00 2.02 0.26 0.01 0.00 0.00 0.00 97.62 0.07 34 F E E 61.20 12.42 27.03 39.81 129.43 -155.58 -128.14 146.37 2.30 97.69 0.00 2.04 0.15 0.00 0.00 0.00 0.00 97.72 0.08 35 L E E 18.56 23.11 15.44 38.67 113.59 -121.96 -84.83 128.42 10.39 89.59 0.02 10.55 0.29 0.02 0.01 0.01 0.00 86.66 2.47 36 K C C 69.17 9.15 19.07 29.02 124.33 -144.63 -86.81 167.72 86.35 13.51 0.14 86.39 0.75 0.18 0.03 0.07 0.00 10.97 1.60 37 T C T 105.35 4.14 15.94 21.82 90.48 -97.86 -62.41 -24.35 98.36 0.80 0.85 0.39 3.78 94.43 0.02 0.74 0.00 0.52 0.12 38 D C T 97.49 2.98 19.93 22.93 92.51 58.65 -85.20 -0.82 98.95 0.22 0.83 0.19 3.03 95.88 0.01 0.75 0.00 0.12 0.03 39 G C S 8.64 17.72 15.35 33.54 97.94 -104.91 88.48 6.92 96.09 3.21 0.70 11.67 82.59 2.23 0.04 0.55 0.00 2.49 0.43 40 S C C 28.05 10.28 22.58 34.21 121.02 131.49 -88.27 149.98 54.65 45.34 0.01 54.56 0.76 0.03 0.00 0.01 0.00 43.23 1.40 41 F E E 10.17 24.39 16.60 41.13 133.54 -171.47 -137.78 149.41 0.49 99.51 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.43 0.08 42 V E E 47.91 10.39 27.07 38.26 122.01 -154.05 -117.74 131.83 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.78 0.00 43 V E E 5.13 25.11 16.67 42.55 117.78 -162.20 -112.17 125.14 2.05 97.94 0.01 2.03 0.05 0.01 0.00 0.00 0.00 97.78 0.14 44 H E E 81.28 7.99 23.61 31.85 128.45 -174.45 -121.99 150.77 33.93 65.96 0.10 21.74 8.20 3.20 0.00 0.13 0.00 66.39 0.34 45 D C E 95.96 4.01 23.46 28.14 93.41 11.97 59.37 42.06 67.23 32.62 0.15 32.47 27.69 6.18 0.01 0.20 0.00 32.89 0.56 46 I C C 7.04 25.58 11.46 37.32 116.88 168.35 -85.29 135.76 74.42 25.52 0.06 71.51 3.41 0.11 0.03 0.04 0.00 20.33 4.58 47 P C C 48.89 7.37 23.08 31.31 118.17 -109.52 -67.55 154.00 95.86 4.08 0.06 89.05 6.26 0.50 0.01 0.06 0.00 3.70 0.42 48 S C S 63.68 9.44 18.51 28.52 114.69 -93.98 -65.14 144.89 95.25 4.67 0.08 14.63 78.10 2.34 0.00 0.08 0.00 4.61 0.23 49 G E E 21.60 4.67 21.74 28.32 139.49 69.11 141.87 -169.53 17.89 82.09 0.02 6.81 11.58 0.51 0.00 0.02 0.00 80.76 0.32 50 S E E 51.34 8.20 21.72 30.63 121.19 -48.41 -99.79 140.77 3.10 96.90 0.00 2.85 0.12 0.00 0.00 0.00 0.00 96.98 0.05 51 Y E E 12.90 22.85 16.04 38.96 135.53 -174.74 -138.68 153.39 0.26 99.74 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.01 52 V E E 33.87 11.20 26.45 38.83 117.83 -134.72 -107.08 128.56 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 53 V E E 1.46 27.15 19.27 47.84 118.39 -161.90 -110.52 127.11 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 54 E E E 37.29 11.93 27.99 40.96 118.24 -164.31 -111.05 126.64 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 55 V E E 2.48 25.84 19.80 46.59 117.80 -162.71 -110.64 125.35 0.22 99.78 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 56 V E E 35.21 11.10 25.29 37.17 122.00 -169.57 -116.22 132.29 2.69 97.30 0.00 2.26 0.19 0.01 0.00 0.00 0.00 97.44 0.10 57 S E E 11.59 18.16 15.28 33.68 133.75 170.82 -132.46 162.41 46.34 53.62 0.03 41.40 2.94 0.17 0.00 0.03 0.00 54.91 0.54 58 P C T 86.77 5.46 18.62 25.07 91.50 -94.30 -62.58 -26.49 98.98 0.55 0.47 1.61 33.86 63.58 0.02 0.46 0.00 0.39 0.09 59 A C T 63.32 6.42 16.59 23.63 100.90 30.78 -99.71 -15.78 98.83 0.67 0.50 1.80 35.07 62.04 0.02 0.48 0.00 0.47 0.11 60 Y E E 62.64 14.35 13.97 28.72 136.60 23.27 -144.74 151.48 33.80 65.98 0.22 24.02 9.16 1.66 0.05 0.21 0.00 63.58 1.32 61 R E E 130.87 6.84 18.85 27.14 122.66 -154.50 -117.41 135.05 11.33 88.63 0.04 10.20 0.77 0.10 0.01 0.02 0.00 87.73 1.16 62 F E E 41.91 19.35 13.10 31.84 126.24 -162.23 -114.86 143.70 16.04 83.93 0.02 14.46 0.88 0.07 0.00 0.02 0.00 84.15 0.42 63 D E E 88.37 4.50 22.41 27.30 118.54 -120.81 -87.92 141.92 28.64 71.34 0.01 24.88 1.88 0.06 0.00 0.01 0.00 73.00 0.16 64 P E E 59.74 14.81 16.32 30.57 114.91 -101.38 -66.26 144.96 29.18 70.79 0.03 26.73 1.06 0.06 0.00 0.01 0.00 71.99 0.13 65 V E E 26.08 16.90 17.58 34.89 125.44 -164.02 -123.21 139.05 3.16 96.83 0.01 2.95 0.16 0.01 0.00 0.00 0.00 96.79 0.08 66 R E E 112.40 9.17 23.29 32.83 117.03 -139.38 -98.82 130.20 1.04 98.96 0.00 0.88 0.04 0.00 0.00 0.00 0.00 99.04 0.02 67 V E E 7.42 23.81 15.78 39.91 125.96 -172.36 -123.49 137.89 2.56 97.42 0.02 2.27 0.11 0.01 0.00 0.01 0.00 97.54 0.06 68 D E E 63.30 7.18 26.41 34.14 116.60 -142.23 -101.84 129.95 3.77 96.20 0.03 3.25 0.24 0.04 0.01 0.01 0.00 96.34 0.10 69 I E E 11.02 23.66 14.49 38.59 115.50 -150.75 -102.51 124.88 15.54 84.08 0.38 13.69 1.54 0.34 0.15 0.20 0.00 82.97 1.10 70 T C C 42.87 7.27 20.07 28.25 130.61 -172.02 -114.51 174.72 67.72 31.08 1.21 60.24 4.39 1.81 0.33 0.78 0.00 30.94 1.52 71 S C T 78.96 6.25 14.54 22.38 92.27 -94.56 -65.17 -21.23 86.79 6.60 6.61 8.23 18.16 60.68 0.69 5.77 0.01 5.45 0.99 72 K C T 149.39 1.53 17.89 18.64 93.98 57.70 -85.93 -0.98 92.83 1.36 5.80 6.35 15.66 70.58 0.67 5.36 0.00 0.99 0.39 73 G C S 23.27 13.09 14.39 27.74 99.85 -103.35 87.73 6.28 87.10 8.20 4.70 23.76 47.00 16.73 0.62 4.00 0.00 6.67 1.22 74 K C C 93.50 7.06 21.60 29.35 119.03 131.05 -90.67 142.34 60.76 38.04 1.20 52.25 5.11 1.73 0.45 0.65 0.00 38.35 1.45 75 M E E 21.17 23.21 14.84 37.62 129.18 -166.77 -127.91 143.79 12.35 86.85 0.80 10.62 1.32 0.43 0.57 0.29 0.00 85.87 0.91 76 R E E 82.42 10.62 26.31 37.18 130.33 -171.04 -130.05 144.54 5.74 93.47 0.79 4.66 0.65 0.27 0.48 0.21 0.00 93.47 0.25 77 A E E 10.32 22.82 18.05 40.72 118.87 -131.69 -93.97 135.81 7.13 91.41 1.46 5.85 0.71 0.36 0.91 0.36 0.00 91.52 0.29 78 R E E 56.37 13.47 21.93 35.67 129.13 -172.61 -125.11 143.54 11.19 86.36 2.45 9.19 1.28 0.66 1.65 0.69 0.00 85.91 0.62 79 Y E E 77.83 13.23 19.35 32.85 116.78 -136.98 -97.01 131.56 19.72 77.67 2.61 16.40 2.25 0.98 1.58 0.91 0.00 76.94 0.93 80 V E E 39.91 13.93 15.24 29.89 117.54 -155.46 -104.91 131.56 44.08 50.70 5.22 32.70 7.64 4.25 2.42 2.46 0.01 49.05 1.45 81 N C C 65.39 9.00 14.66 24.90 117.26 -154.09 -110.38 132.66 68.84 25.81 5.35 37.08 18.18 14.87 1.75 3.19 0.02 23.23 1.69 82 Y C C 139.96 6.56 13.73 21.23 100.02 -96.39 -77.88 -7.92 83.94 9.94 6.12 28.94 27.70 28.57 1.54 3.94 0.02 7.73 1.57 83 I C S 102.60 5.53 12.30 18.98 103.77 45.71 -93.39 -0.26 83.43 11.47 5.10 28.12 30.44 26.24 1.32 3.36 0.03 8.38 2.12 84 K C C 122.90 4.64 11.96 18.09 113.13 23.08 -108.34 116.17 76.63 20.38 3.00 42.59 21.45 13.68 0.73 2.31 0.01 16.63 2.60 85 T C C 83.49 6.18 11.39 18.95 106.32 -159.97 -85.57 43.17 73.90 19.26 6.84 36.70 16.66 21.48 1.04 5.79 0.01 16.71 1.62 86 S C C 75.63 5.17 13.06 19.44 104.05 53.46 -89.89 18.94 68.88 24.33 6.79 29.75 20.27 19.70 0.73 5.95 0.01 22.53 1.08 87 E C E 101.79 5.35 15.19 21.94 118.60 97.33 -101.21 133.77 53.33 41.08 5.59 35.62 10.99 6.99 0.77 4.76 0.00 39.87 1.00 88 V E E 64.28 13.58 12.50 26.32 118.89 -148.36 -100.76 132.43 30.45 69.06 0.48 27.08 2.54 0.48 0.17 0.25 0.00 68.50 0.97 89 V E E 52.49 10.63 16.82 28.84 121.19 -162.06 -112.58 133.37 11.15 88.71 0.14 10.28 0.61 0.11 0.06 0.05 0.00 87.50 1.39 90 R E E 138.69 6.89 18.71 27.13 115.95 -134.00 -89.43 130.85 13.73 86.17 0.09 12.53 1.21 0.12 0.05 0.04 0.00 84.80 1.25 91 L C C 26.89 19.11 11.12 29.94 119.07 -152.66 -101.93 138.20 62.17 37.77 0.05 57.99 3.02 0.14 0.01 0.04 0.00 37.97 0.83 92 P C S 87.28 4.07 20.41 24.69 101.09 -122.72 -69.57 -6.26 86.58 13.34 0.08 34.93 49.71 1.56 0.01 0.08 0.00 13.27 0.44 93 Y C S 93.85 9.99 16.97 27.73 127.98 -1.13 -117.71 146.57 91.17 8.73 0.10 10.75 78.01 2.32 0.01 0.09 0.00 8.26 0.56 94 P C C 58.50 9.63 19.59 29.67 113.16 12.42 -71.11 145.26 88.65 11.22 0.13 58.23 27.87 1.93 0.01 0.16 0.00 11.29 0.52 95 L E E 12.64 23.33 13.32 36.67 119.62 -147.45 -103.11 135.22 23.32 76.57 0.11 21.03 1.83 0.22 0.04 0.08 0.00 74.94 1.86 96 Q E E 88.42 7.13 25.26 33.01 119.96 -157.21 -112.53 130.13 10.43 89.51 0.06 9.48 0.81 0.10 0.02 0.03 0.00 88.91 0.66 97 M E E 18.33 23.80 14.24 37.67 123.02 -165.82 -113.88 137.13 11.50 88.41 0.09 10.46 0.99 0.13 0.03 0.05 0.00 87.83 0.51 98 K E E 106.17 5.55 24.01 30.28 127.03 -169.07 -120.98 142.37 18.28 81.58 0.14 16.83 1.16 0.19 0.04 0.08 0.00 81.06 0.63 99 S E E 41.70 17.06 13.48 29.76 113.83 -110.69 -71.41 139.38 31.01 68.52 0.47 27.77 2.21 0.65 0.15 0.33 0.00 65.57 3.31 100 S C C 65.12 6.89 17.47 25.32 101.28 -166.42 -96.04 -5.46 83.24 16.35 0.42 47.52 33.72 2.88 0.08 0.40 0.00 13.97 1.44 101 G C S 33.19 4.82 17.99 23.83 137.59 -61.63 130.52 175.93 92.06 7.85 0.09 19.95 71.57 0.97 0.01 0.07 0.00 6.66 0.77 102 P C C 89.74 5.74 16.35 23.38 116.04 -60.45 -69.85 147.25 96.74 3.13 0.13 86.30 10.01 0.58 0.03 0.11 0.00 2.46 0.51 103 P C C 49.56 15.24 11.35 26.29 113.21 -104.90 -69.79 145.16 95.08 3.17 1.75 88.85 4.11 2.30 0.44 1.17 0.00 1.98 1.15 104 S C C 76.35 4.30 18.03 23.22 104.56 -144.27 -87.01 42.42 85.20 5.19 9.61 52.63 21.39 11.13 2.68 7.15 0.00 3.25 1.77 105 Y C C 90.92 12.56 14.38 27.01 100.29 65.23 -89.94 -11.47 72.99 11.68 15.33 32.38 28.10 14.16 5.44 9.03 0.10 8.11 2.67 106 F C C 70.91 14.68 11.96 26.51 117.58 71.86 -108.24 128.43 58.66 25.15 16.19 36.89 15.33 6.92 9.13 7.58 0.16 18.54 5.45 107 I C C 88.03 6.77 15.47 23.55 119.01 -158.49 -105.87 132.88 59.75 28.95 11.30 50.18 6.21 2.34 9.05 3.00 0.02 25.14 4.06 108 K C C 123.74 6.36 14.47 22.43 113.06 -122.34 -78.94 133.81 61.33 25.70 12.98 54.42 3.91 2.29 10.37 3.22 0.01 22.28 3.50 109 R C C 113.08 10.03 10.16 20.93 109.85 -127.02 -81.28 138.28 63.72 9.37 26.91 50.49 7.73 5.53 13.50 13.56 0.01 7.65 1.51 110 E C C 133.49 3.47 12.73 17.55 109.24 -121.35 -83.39 121.61 64.32 6.37 29.31 45.78 10.25 8.43 11.48 17.97 0.01 5.01 1.08 111 S C C 75.60 4.09 11.93 17.59 114.26 -124.12 -99.53 128.73 63.31 9.52 27.17 44.04 9.81 10.13 9.19 17.62 0.02 7.62 1.57 112 W C C 136.41 8.96 8.57 18.33 113.40 -158.36 -99.63 124.54 69.94 14.59 15.46 49.37 11.16 9.76 6.26 9.06 0.04 11.60 2.75 113 G C C 49.40 3.24 12.33 17.03 118.73 -161.37 -121.17 153.45 73.59 21.75 4.66 54.72 9.65 8.91 2.07 2.64 0.01 18.86 3.14 114 W C C 168.54 5.39 8.52 15.59 112.08 -133.22 -95.27 123.13 78.07 20.57 1.36 73.56 1.46 2.77 0.70 0.59 0.00 15.83 5.10 115 T C C 95.88 3.49 11.81 16.97 114.08 -159.94 -102.35 127.78 99.73 0.27 0.01 99.71 0.07 0.02 0.00 0.00 0.00 0.18 0.01