# 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 120.81 5.23 12.11 18.96 117.63 -158.36 -96.94 133.64 99.63 0.33 0.04 99.57 0.14 0.05 0.02 0.00 0.00 0.16 0.05 1 A C C 68.43 5.91 9.31 16.91 118.36 -155.58 -94.86 143.64 80.12 8.25 11.62 74.63 1.66 4.71 7.24 3.24 0.00 6.29 2.24 2 A C C 78.49 3.25 10.87 15.72 113.80 -113.33 -80.66 144.68 70.70 12.63 16.67 49.93 12.32 8.60 8.69 7.80 0.02 10.25 2.39 3 A C C 73.91 5.40 9.89 17.08 112.92 -109.28 -81.88 137.70 63.22 16.56 20.22 47.29 9.37 6.72 9.56 10.40 0.03 14.06 2.57 4 M C C 104.76 7.06 10.31 18.85 115.36 -138.98 -91.73 132.33 60.08 21.07 18.84 44.35 9.26 6.36 10.21 8.81 0.05 17.51 3.45 5 D C C 98.15 4.42 12.74 18.71 108.69 -136.53 -88.10 110.92 70.96 16.67 12.37 55.60 7.77 6.68 6.72 5.79 0.01 13.66 3.77 6 V C C 78.07 9.37 9.47 19.63 108.98 174.63 -94.97 79.91 81.94 10.33 7.73 49.79 14.18 18.54 3.68 3.67 0.01 7.76 2.38 7 D C C 115.93 2.22 14.12 16.99 101.37 77.86 -87.94 5.98 90.11 5.89 4.00 43.81 25.69 21.38 1.19 2.56 0.00 3.86 1.51 8 T C C 72.17 6.11 11.35 19.27 119.11 87.17 -106.81 132.20 95.66 3.98 0.36 56.24 39.14 0.89 0.14 0.18 0.00 1.88 1.53 9 P C C 75.64 6.42 11.66 19.79 112.72 -106.40 -65.00 148.81 92.24 2.51 5.25 70.31 8.77 12.82 1.12 4.40 0.00 1.61 0.98 10 S C C 79.24 4.83 11.32 17.93 109.11 -105.86 -73.37 136.67 87.17 3.39 9.44 36.96 16.29 34.32 1.71 7.52 0.00 1.89 1.32 11 G C C 54.61 3.06 13.19 17.43 102.80 22.48 81.99 -0.52 82.06 5.85 12.08 33.19 20.77 29.26 2.33 9.10 0.01 3.20 2.14 12 A C C 61.18 6.98 10.55 18.98 109.48 119.07 -85.34 119.07 77.35 8.47 14.19 44.41 19.40 14.04 4.25 9.63 0.02 4.74 3.51 13 N C C 105.58 4.16 12.06 17.75 109.31 -134.67 -88.25 108.66 79.07 7.58 13.35 44.31 18.71 16.74 4.50 8.45 0.02 4.29 2.99 14 N C C 100.53 6.02 10.65 18.06 105.56 -142.52 -87.18 43.44 77.83 6.15 16.02 39.97 20.03 18.78 5.48 9.87 0.02 3.34 2.49 15 S C C 74.96 4.32 11.18 17.04 102.54 114.99 -84.96 2.86 77.87 5.19 16.94 39.41 19.05 20.41 5.51 10.66 0.02 2.75 2.19 16 A C C 78.11 3.74 11.09 16.34 103.78 78.20 -83.22 17.96 78.16 3.99 17.85 30.98 21.55 27.01 5.93 10.73 0.03 2.12 1.66 17 G C C 46.93 4.55 12.63 18.59 109.98 -4.62 84.06 -3.29 79.89 5.12 14.99 35.31 23.89 22.00 5.00 9.12 0.02 3.02 1.64 18 K C C 123.40 5.81 12.29 19.71 115.74 -17.39 -90.94 135.08 74.98 11.91 13.11 52.37 15.01 7.73 6.45 6.75 0.02 8.96 2.71 19 K C C 114.56 7.41 13.53 22.19 115.65 -131.43 -90.22 134.78 62.93 25.67 11.40 50.69 7.27 4.09 7.56 4.18 0.02 23.06 3.14 20 R E E 122.20 9.33 14.55 24.58 118.46 -155.37 -104.12 138.09 43.12 43.54 13.34 29.77 9.46 4.00 10.76 3.70 0.04 39.57 2.70 21 F E E 62.28 14.54 13.37 28.07 122.63 -157.00 -117.80 136.13 27.71 59.08 13.21 21.51 3.68 2.28 11.30 2.85 0.01 56.50 1.86 22 E E E 112.38 5.48 19.02 25.55 119.61 -151.08 -107.25 131.42 24.06 64.23 11.72 19.21 2.43 1.69 10.06 2.35 0.00 63.03 1.21 23 V E E 38.70 16.82 11.00 27.47 116.62 -157.08 -103.05 125.92 33.36 45.99 20.65 26.76 2.96 2.45 15.98 4.36 0.01 46.22 1.27 24 K C E 129.20 4.12 16.83 21.74 104.66 -166.59 -89.07 -17.88 45.37 31.40 23.24 26.20 10.24 8.46 16.64 6.43 0.10 30.59 1.35 25 K C C 114.80 5.70 16.38 22.75 115.69 8.08 -102.68 127.58 48.24 26.45 25.30 29.04 9.93 9.31 18.13 7.22 0.15 24.52 1.70 26 W C H 106.96 12.99 13.08 25.82 100.79 -149.30 -79.88 -12.11 42.24 22.16 35.61 25.36 8.48 8.35 27.80 7.81 0.17 19.94 2.09 27 N C H 82.31 7.65 16.94 25.18 100.95 71.50 -78.79 -25.69 41.89 18.96 39.14 22.90 8.91 9.84 31.57 7.43 0.19 17.48 1.69 28 A H H 44.69 9.54 16.44 26.75 97.20 65.56 -71.51 -34.02 28.93 25.74 45.33 16.62 5.82 6.85 36.60 8.02 0.16 24.35 1.58 29 V H H 51.78 12.07 16.96 29.32 97.58 55.40 -74.17 -34.73 18.64 34.10 47.26 11.28 3.08 3.93 40.79 6.15 0.07 33.55 1.15 30 A H H 36.56 12.46 16.84 29.61 97.29 58.46 -70.00 -34.10 17.18 36.24 46.57 10.35 2.65 3.64 40.24 6.08 0.06 35.98 1.01 31 L H H 70.93 10.15 17.67 28.16 96.31 60.54 -72.73 -32.78 17.36 38.02 44.62 10.06 2.82 4.04 38.83 5.95 0.06 37.17 1.08 32 W H H 109.48 9.87 17.75 27.96 97.08 58.07 -72.80 -30.25 20.05 38.31 41.63 11.54 3.32 4.74 36.72 5.45 0.09 36.69 1.46 33 A H H 35.55 13.52 15.71 29.33 98.47 60.58 -75.04 -26.99 25.99 34.48 39.53 14.76 4.55 6.18 33.94 5.76 0.11 33.12 1.58 34 W H H 107.44 11.64 16.31 27.99 100.48 64.37 -81.42 -12.82 31.75 30.67 37.58 15.02 6.39 9.76 31.34 6.31 0.18 29.44 1.55 35 D C E 84.13 7.49 18.65 26.60 100.76 56.09 -82.16 18.49 37.70 30.75 31.55 17.56 7.75 11.73 25.53 6.22 0.15 29.63 1.43 36 I E E 53.11 14.83 15.40 30.03 109.32 100.81 -97.31 80.62 31.97 41.09 26.94 19.58 5.78 6.02 22.86 4.66 0.07 39.24 1.79 37 V E E 61.85 11.44 18.58 30.19 111.78 81.94 -97.12 113.12 34.68 43.71 21.61 24.43 4.96 4.24 19.26 3.60 0.04 40.93 2.54 38 V C C 38.85 16.46 14.53 30.62 115.63 -164.80 -104.64 122.23 48.16 33.66 18.19 35.52 6.32 4.97 14.87 4.15 0.05 31.50 2.61 39 D C C 92.73 5.93 18.97 25.57 102.49 129.71 -90.71 -15.16 67.57 18.96 13.47 34.92 18.36 14.68 8.77 4.64 0.09 16.69 1.86 40 N C C 88.72 6.84 19.81 27.09 108.08 31.06 -108.22 58.41 73.16 15.58 11.26 38.65 18.97 16.42 6.06 5.07 0.07 11.48 3.28 41 C C C 16.00 19.95 13.16 32.64 115.94 134.40 -93.05 131.72 80.56 13.56 5.87 66.25 9.41 3.80 4.23 2.07 0.01 7.45 6.78 42 A C T 43.33 9.89 20.94 31.50 94.90 -139.02 -67.60 -30.90 64.19 3.90 31.92 9.72 16.19 37.22 22.72 9.37 0.64 1.97 2.17 43 I C T 37.00 17.75 19.00 35.69 97.71 44.55 -78.24 -36.21 66.38 2.24 31.39 4.24 10.49 49.65 22.71 9.72 0.51 1.27 1.40 44 C C T 27.82 17.49 17.69 34.31 102.09 29.65 -93.05 -8.02 63.16 4.81 32.03 7.86 10.57 42.78 23.16 9.96 0.69 2.95 2.03 45 R C H 119.00 10.24 20.24 30.03 97.66 -67.44 -52.39 -11.62 46.62 13.41 39.98 20.41 10.18 17.54 32.66 6.10 0.60 9.16 3.35 46 N C H 66.17 10.76 19.23 29.90 105.78 61.45 -87.23 10.06 45.49 12.85 41.66 21.16 10.01 15.41 36.84 4.06 0.34 9.91 2.28 47 H H H 66.97 11.88 21.53 33.18 101.00 56.90 -74.29 -21.82 30.16 14.94 54.90 19.41 4.66 6.82 51.40 2.93 0.11 12.45 2.23 48 I H H 10.81 23.95 18.12 41.16 93.60 62.55 -64.28 -40.69 9.22 6.00 84.77 5.33 1.57 2.86 81.71 2.22 0.08 5.81 0.43 49 M H H 60.05 13.96 21.75 35.12 91.80 53.23 -63.40 -40.83 6.21 4.46 89.33 3.27 1.03 2.28 86.01 2.42 0.07 4.70 0.23 50 D H H 71.37 4.63 24.83 29.49 91.68 50.41 -65.46 -40.32 6.59 3.14 90.27 3.16 1.09 2.78 86.57 2.74 0.07 3.39 0.21 51 L H H 18.16 17.08 20.62 37.82 91.87 50.08 -65.29 -42.07 7.83 2.90 89.27 3.28 1.31 3.63 86.31 2.24 0.11 2.87 0.25 52 C H H 9.07 21.28 18.61 39.59 92.07 51.00 -64.17 -42.31 9.83 3.79 86.38 5.13 1.42 3.45 84.45 1.63 0.06 3.57 0.30 53 I H H 75.25 6.00 22.90 29.11 91.78 49.84 -64.42 -42.10 6.83 3.69 89.48 3.52 1.10 2.54 87.18 1.71 0.06 3.65 0.25 54 E H H 94.09 4.52 22.96 27.43 92.03 48.98 -65.41 -40.85 6.92 2.96 90.12 3.23 1.08 2.96 87.56 1.91 0.06 2.98 0.21 55 C H H 12.89 17.71 15.43 33.57 92.09 50.16 -65.89 -40.10 10.50 1.88 87.62 4.60 1.56 4.85 84.56 2.35 0.06 1.80 0.21 56 Q H H 81.85 10.57 17.63 28.43 92.70 51.82 -65.98 -36.87 14.99 1.14 83.87 5.38 2.32 7.95 80.62 2.51 0.08 0.88 0.24 57 A H H 71.82 2.54 17.58 20.09 92.85 54.35 -68.58 -32.18 26.87 0.80 72.34 5.48 4.32 17.89 68.58 2.81 0.17 0.42 0.33 58 N C H 89.52 5.34 14.98 21.38 100.69 43.86 -93.31 6.91 50.85 1.03 48.12 13.21 8.38 30.05 44.39 2.93 0.07 0.45 0.50 59 Q C C 89.83 10.83 12.05 23.13 98.75 98.73 -71.85 -9.98 62.54 2.06 35.41 31.84 11.97 19.83 28.89 5.45 0.04 0.88 1.11 60 A C T 74.04 3.73 14.54 19.41 97.05 79.69 -69.18 -27.84 66.58 1.72 31.70 22.35 13.68 31.41 22.19 8.55 0.05 0.83 0.94 61 S C T 74.32 3.73 14.78 19.36 100.25 50.49 -85.22 -7.55 71.03 1.89 27.07 26.32 15.03 30.75 17.00 8.92 0.04 0.89 1.05 62 A C C 46.22 11.45 10.37 22.29 105.07 92.70 -79.30 42.29 76.14 2.60 21.26 42.01 20.58 13.82 13.42 7.49 0.02 1.14 1.53 63 T C C 83.83 5.31 15.12 21.52 106.40 118.94 -90.44 27.60 80.04 3.41 16.55 50.28 16.54 12.95 10.38 6.29 0.01 1.63 1.92 64 S C C 59.74 8.09 13.63 22.52 105.28 103.85 -84.93 19.09 72.76 2.86 24.38 37.64 19.09 16.47 10.79 13.05 0.02 1.29 1.65 65 E C T 121.13 5.98 15.76 22.81 100.94 81.77 -79.29 -10.35 69.42 2.18 28.40 20.51 19.84 30.18 10.19 16.96 0.05 1.07 1.20 66 E C T 106.05 7.42 18.48 26.44 105.26 61.26 -87.10 33.00 69.28 4.66 26.06 26.12 16.75 27.96 8.74 16.05 0.05 2.80 1.53 67 C C C 19.54 20.83 14.49 34.49 118.84 129.72 -100.76 134.55 71.24 17.02 11.74 49.78 14.84 6.90 4.79 6.74 0.01 14.97 1.97 68 T E E 36.99 13.28 24.60 37.89 116.98 -156.28 -104.23 133.41 44.26 53.18 2.55 34.82 7.45 2.15 0.90 1.33 0.00 52.21 1.14 69 V E E 19.13 21.51 21.92 42.62 122.50 -150.49 -109.83 137.16 9.67 89.93 0.40 8.50 0.97 0.18 0.18 0.13 0.00 89.72 0.33 70 A E E 9.34 19.50 24.44 43.33 134.48 -174.93 -133.55 152.29 1.19 98.69 0.11 1.07 0.08 0.02 0.06 0.02 0.00 98.65 0.10 71 W E E 59.73 16.88 24.10 40.29 117.59 -129.57 -104.75 130.24 2.49 97.39 0.12 2.27 0.19 0.05 0.07 0.04 0.00 96.94 0.45 72 G C C 4.77 21.30 17.91 39.15 126.00 -150.13 -90.24 175.93 69.61 30.01 0.38 63.68 3.08 0.89 0.07 0.29 0.00 31.03 0.96 73 V C T 55.34 13.83 22.23 35.80 93.44 -85.35 -66.43 -26.39 93.47 3.75 2.78 2.91 13.70 76.50 0.12 3.07 0.00 3.24 0.47 74 C C T 27.70 16.71 18.68 35.20 95.15 45.16 -90.77 5.08 96.56 0.49 2.95 1.82 12.61 81.77 0.12 3.23 0.00 0.32 0.13 75 N C S 82.98 9.62 22.97 32.75 93.78 -108.30 70.11 23.29 94.83 2.28 2.90 17.37 61.44 15.97 0.22 2.79 0.00 1.56 0.66 76 H C C 28.96 18.55 20.99 39.30 121.12 139.93 -90.30 145.84 80.63 19.22 0.15 74.97 4.18 0.45 0.04 0.10 0.00 19.27 0.99 77 A E E 14.66 19.36 24.90 43.74 123.61 -146.87 -111.51 138.74 3.22 96.76 0.02 3.07 0.19 0.01 0.01 0.01 0.00 95.96 0.74 78 F E E 5.51 24.28 23.74 47.75 136.03 -172.53 -135.64 154.24 1.12 98.87 0.01 1.11 0.06 0.00 0.01 0.00 0.00 98.55 0.26 79 H E E 20.09 18.06 24.76 42.82 115.97 -107.46 -73.31 146.40 12.58 87.38 0.03 12.63 0.34 0.02 0.02 0.01 0.00 86.00 0.99 80 F H H 38.96 19.20 21.22 40.12 91.91 -114.59 -58.74 -38.82 2.56 0.04 97.39 0.32 0.30 1.98 96.32 1.04 0.01 0.03 0.01 81 H H H 82.77 7.10 25.97 33.90 91.84 54.85 -63.84 -38.46 0.83 0.01 99.16 0.05 0.05 0.70 98.30 0.89 0.00 0.00 0.00 82 C H H 9.42 17.90 21.76 39.94 92.23 49.72 -65.40 -42.36 0.38 0.00 99.62 0.04 0.03 0.28 98.54 1.11 0.00 0.00 0.00 83 I H H 3.18 25.78 19.26 45.16 91.60 50.15 -64.21 -42.74 0.23 0.00 99.77 0.02 0.02 0.16 99.55 0.24 0.00 0.00 0.00 84 S H H 33.68 11.32 21.49 33.28 91.76 52.02 -63.30 -41.94 0.65 0.01 99.34 0.08 0.05 0.52 99.10 0.25 0.00 0.01 0.00 85 R H H 111.47 4.05 23.09 26.90 91.93 49.73 -65.19 -41.98 1.10 0.01 98.89 0.08 0.07 0.98 98.55 0.32 0.00 0.00 0.00 86 W H H 29.80 16.72 17.37 34.50 92.23 49.39 -65.16 -41.84 1.31 0.01 98.69 0.11 0.08 1.06 98.25 0.49 0.00 0.00 0.00 87 L H H 26.87 19.28 14.25 33.07 92.05 52.07 -67.46 -32.87 5.38 0.03 94.59 0.52 0.36 4.43 93.54 1.09 0.02 0.01 0.02 88 K H H 140.36 2.92 18.20 21.81 93.25 51.36 -72.02 -29.58 15.41 0.06 84.53 0.85 0.88 13.47 83.78 0.93 0.03 0.02 0.03 89 T H H 89.80 2.59 17.18 19.81 100.67 31.81 -99.71 -23.21 29.88 0.24 69.88 2.91 3.86 22.67 69.35 0.91 0.07 0.08 0.15 90 R C C 83.65 11.23 14.42 26.36 127.19 27.93 -136.35 138.75 86.97 2.54 10.49 55.92 19.89 9.96 10.56 1.24 0.01 1.04 1.38 91 Q C C 93.59 10.25 17.57 28.33 100.83 -151.82 -95.10 7.72 90.00 9.39 0.61 57.57 29.33 3.24 0.27 0.34 0.00 8.23 1.00 92 V E B 48.90 8.98 21.11 31.26 130.76 65.05 -128.19 144.81 9.65 90.21 0.14 7.06 1.12 0.05 0.14 0.02 0.00 13.53 78.08 93 C C C 6.79 20.77 14.16 36.08 109.94 -113.36 -73.55 126.60 91.37 8.59 0.04 91.93 0.60 0.08 0.01 0.02 0.00 5.94 1.41 94 P C T 44.53 11.70 18.97 32.02 93.16 -143.38 -68.03 -23.15 99.49 0.16 0.35 0.77 4.23 94.58 0.02 0.26 0.00 0.11 0.04 95 L C T 70.94 11.37 17.33 28.79 98.30 47.87 -81.91 -40.78 99.43 0.17 0.40 0.30 3.27 96.00 0.02 0.27 0.00 0.09 0.05 96 D C T 75.35 5.07 15.99 22.25 101.54 20.53 -107.22 -5.50 99.37 0.21 0.42 1.92 5.85 91.64 0.03 0.36 0.00 0.14 0.06 97 N C C 111.79 5.09 14.04 21.18 93.60 -126.11 62.95 27.40 99.21 0.49 0.30 72.55 8.65 18.02 0.09 0.18 0.00 0.31 0.19 98 R C C 112.55 5.14 14.95 22.01 119.77 143.88 -85.00 148.08 80.65 19.03 0.33 68.89 10.92 0.67 0.14 0.23 0.00 15.29 3.87 99 E E B 126.41 4.22 17.79 23.44 114.23 -107.25 -74.60 137.19 12.57 87.09 0.35 10.27 0.68 0.13 0.32 0.10 0.00 28.87 59.63 100 W C C 39.46 20.90 9.78 29.52 122.93 -155.41 -106.92 143.37 85.49 13.90 0.61 83.10 1.97 0.42 0.17 0.35 0.00 13.18 0.81 101 E C C 119.19 3.35 21.71 25.36 119.52 -151.39 -109.64 135.03 83.00 15.29 1.72 76.21 5.52 1.15 0.49 1.07 0.00 13.69 1.87 102 F C C 77.34 16.34 11.72 27.28 114.61 -129.32 -85.26 131.01 70.78 25.32 3.90 62.31 5.55 2.35 1.26 2.51 0.00 21.97 4.05 103 Q C C 94.43 7.28 14.42 22.97 115.85 -162.06 -100.35 130.52 65.98 28.98 5.04 54.07 8.33 3.88 1.37 3.44 0.00 26.86 2.04 104 K C C 132.92 4.67 14.90 21.22 114.69 -140.16 -93.83 131.12 60.51 33.53 5.96 47.55 8.98 4.95 1.49 4.10 0.02 31.00 1.93 105 Y C C 107.05 10.84 10.75 22.07 114.76 -141.34 -100.91 125.59 63.61 32.34 4.05 52.30 6.43 4.67 1.42 2.56 0.01 29.61 3.01 106 V C C 85.84 7.12 10.86 19.39 113.75 -169.80 -104.83 118.73 79.11 19.64 1.26 74.23 1.85 2.70 0.50 0.58 0.00 18.30 1.83 107 G C C 51.02 3.51 14.39 19.11 109.22 -19.01 89.36 -1.91 99.70 0.28 0.02 99.33 0.26 0.15 0.01 0.00 0.00 0.23 0.02