# 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 108.45 5.70 10.04 17.30 116.08 -154.15 -93.50 136.15 99.84 0.13 0.03 99.63 0.19 0.06 0.02 0.00 0.00 0.06 0.03 1 D C C 101.44 2.78 9.13 13.49 108.45 -131.47 -86.63 112.14 91.72 1.22 7.07 88.87 1.16 3.25 2.89 2.55 0.00 0.59 0.69 2 K C C 147.43 2.74 8.06 12.55 98.25 -168.13 -75.72 -17.11 61.42 1.64 36.94 36.73 8.87 14.33 5.20 33.35 0.00 0.92 0.60 3 S C G 84.21 2.07 8.50 11.92 98.64 68.94 -78.79 -10.38 59.17 1.69 39.14 27.35 11.16 20.38 4.70 34.85 0.01 0.91 0.65 4 K C C 146.22 2.28 9.06 12.66 102.07 64.40 -88.25 7.10 61.93 2.07 36.00 32.74 14.03 14.95 4.97 31.30 0.01 1.04 0.95 5 R C C 139.41 3.72 8.21 13.95 116.68 112.85 -90.09 137.25 92.64 1.34 6.02 51.08 38.96 2.84 3.67 2.04 0.00 0.44 0.98 6 P C C 95.22 3.16 9.74 14.53 109.46 -107.94 -70.20 145.04 83.21 1.41 15.38 58.67 10.65 13.86 7.92 7.34 0.00 0.74 0.83 7 F C C 137.98 4.31 8.40 14.43 110.24 -130.63 -87.73 123.35 78.20 2.75 19.05 51.68 12.93 13.44 9.99 8.98 0.00 1.41 1.58 8 I C C 111.40 4.07 8.83 14.70 112.47 -142.79 -94.03 124.64 74.26 3.58 22.17 52.73 11.84 9.11 13.85 8.66 0.01 1.82 1.97 9 K C C 149.58 2.27 9.64 13.42 108.34 -142.57 -89.66 106.09 72.53 2.39 25.08 47.96 13.70 10.70 16.90 8.32 0.01 1.20 1.22 10 S C C 73.76 3.61 8.96 14.29 114.24 -140.47 -92.26 134.85 72.46 1.82 25.72 48.10 11.98 12.09 16.88 9.09 0.00 0.93 0.93 11 K C C 146.61 2.83 9.22 13.73 102.85 -140.24 -84.74 15.32 69.16 1.56 29.28 42.87 14.62 11.75 19.02 10.14 0.01 0.73 0.86 12 R C C 150.24 3.41 9.61 14.76 109.71 94.03 -85.39 115.58 67.51 1.67 30.82 44.20 12.71 10.53 19.53 11.33 0.01 0.79 0.90 13 S C C 73.08 3.60 10.24 15.43 106.13 -145.00 -88.42 58.47 67.22 1.87 30.91 45.23 10.91 10.66 18.04 13.23 0.01 0.97 0.96 14 F C C 123.85 5.68 9.49 16.68 109.39 56.02 -89.70 102.07 65.97 2.43 31.60 42.08 12.27 11.32 16.78 15.05 0.01 1.24 1.23 15 R C C 148.45 4.16 11.06 16.95 110.33 -149.63 -90.33 109.63 70.06 3.15 26.80 47.69 12.13 9.84 13.71 13.39 0.01 1.70 1.53 16 R C C 145.43 4.88 11.87 18.30 112.61 -132.56 -88.29 124.05 78.09 3.70 18.21 53.30 13.78 10.72 8.91 9.40 0.00 2.07 1.81 17 R C C 155.54 4.00 13.90 19.47 112.45 -139.02 -94.12 126.26 86.11 4.81 9.08 60.75 17.02 7.73 4.36 4.72 0.00 2.21 3.20 18 L C C 63.55 13.51 9.90 23.49 118.46 -131.12 -94.00 135.70 97.74 1.96 0.30 69.63 27.85 0.46 0.16 0.12 0.00 0.83 0.96 19 P C C 67.73 5.88 16.00 23.16 116.01 -106.14 -67.43 151.92 99.32 0.49 0.19 94.13 4.75 0.54 0.06 0.08 0.00 0.25 0.18 20 P C C 91.44 4.97 16.02 22.37 113.19 -100.01 -65.57 144.89 94.46 3.59 1.95 85.59 6.18 2.31 0.74 1.07 0.00 1.53 2.58 21 I C C 51.83 17.22 8.52 24.54 114.14 -123.85 -88.85 132.61 89.15 7.19 3.66 74.23 9.92 3.67 1.51 2.14 0.00 2.97 5.57 22 Q C C 125.15 2.58 15.03 18.55 116.37 -146.29 -95.11 139.55 91.81 3.98 4.21 72.49 12.71 6.15 1.23 2.99 0.00 1.99 2.44 23 S C T 86.31 3.34 11.48 16.82 109.18 -97.11 -69.57 136.40 91.38 2.13 6.49 15.09 16.31 59.89 1.27 5.16 0.00 1.25 1.03 24 G C T 56.07 2.30 13.94 16.98 103.24 25.32 86.39 -5.89 92.97 1.38 5.66 15.22 17.21 60.39 0.80 5.02 0.00 0.87 0.49 25 D C C 78.39 7.39 12.82 21.64 115.02 111.79 -85.13 134.45 90.01 5.16 4.83 66.85 18.34 4.31 0.83 4.53 0.00 3.28 1.86 26 R C C 143.70 5.51 17.09 24.24 117.95 -141.77 -95.57 134.79 76.94 21.41 1.64 69.07 5.23 1.25 0.80 0.91 0.00 12.34 10.40 27 I C C 26.55 20.69 10.89 30.88 115.66 -136.10 -93.63 130.30 83.75 15.58 0.67 80.58 2.83 0.48 0.30 0.34 0.00 10.46 5.00 28 D C C 69.09 5.91 21.45 27.71 111.34 -154.44 -103.93 114.49 93.25 6.11 0.64 91.36 1.99 0.48 0.25 0.28 0.00 3.53 2.11 29 Y C T 73.45 17.83 12.19 29.58 93.52 -160.67 -68.62 -17.18 84.10 0.54 15.35 4.12 7.20 72.54 2.37 13.14 0.00 0.32 0.30 30 R C T 157.40 3.48 17.35 21.76 92.87 64.29 -80.80 -11.86 85.90 0.44 13.66 3.56 8.28 74.07 2.37 11.18 0.00 0.25 0.27 31 N C C 67.91 7.81 14.38 23.73 106.87 81.26 -106.28 89.34 86.13 2.51 11.37 67.15 12.79 5.53 4.01 7.53 0.00 1.00 1.99 32 M H H 82.50 13.39 12.55 26.18 94.01 159.74 -65.88 -28.63 11.13 0.13 88.73 4.33 1.67 5.24 75.58 13.04 0.02 0.07 0.06 33 S H H 73.53 2.15 19.04 20.89 91.67 63.66 -64.11 -35.18 4.60 0.04 95.36 0.57 0.44 3.22 80.53 15.19 0.01 0.03 0.01 34 L H H 31.35 12.81 16.61 30.58 92.38 52.54 -65.73 -40.14 2.09 0.03 97.89 0.28 0.21 1.47 83.98 14.02 0.00 0.02 0.00 35 I H H 9.43 23.84 13.91 37.53 91.69 52.61 -64.52 -40.42 1.90 0.03 98.07 0.26 0.19 1.33 86.88 11.31 0.00 0.02 0.00 36 S H H 58.08 8.79 19.72 29.06 90.57 57.95 -64.76 -28.58 8.30 0.07 91.63 0.60 0.53 6.46 68.48 23.84 0.03 0.05 0.02 37 R H H 135.24 4.51 22.88 27.65 92.09 57.35 -73.18 -24.39 29.02 0.11 70.87 0.79 1.38 26.05 49.22 22.37 0.07 0.05 0.08 38 F H H 18.77 20.55 16.04 36.94 97.74 48.63 -98.09 -8.58 45.41 0.57 54.02 2.30 3.96 36.64 36.88 19.34 0.18 0.33 0.37 39 I E B 26.23 18.92 13.73 32.81 121.92 87.13 -99.07 139.27 5.06 94.73 0.21 2.78 0.71 0.03 0.22 0.02 0.00 10.70 85.54 40 S C C 33.27 8.35 15.07 25.25 123.50 -133.64 -80.55 171.53 96.82 3.04 0.14 97.10 0.34 0.12 0.04 0.04 0.00 1.72 0.62 41 E C T 160.31 1.87 14.23 17.04 90.56 -90.04 -63.44 -21.77 98.55 0.64 0.81 0.50 3.37 95.00 0.09 0.51 0.00 0.37 0.15 42 Q C T 129.47 1.71 16.70 17.89 92.62 55.73 -87.54 0.17 99.09 0.15 0.75 0.24 3.08 95.96 0.04 0.56 0.00 0.08 0.04 43 G C S 18.07 15.57 12.59 28.22 96.13 -106.71 82.93 9.19 99.31 0.36 0.33 11.75 86.15 1.54 0.04 0.23 0.00 0.15 0.15 44 K C C 98.90 5.17 21.52 27.52 120.77 136.26 -91.12 146.29 92.84 7.03 0.14 76.23 16.56 0.29 0.07 0.07 0.00 3.36 3.42 45 I E B 32.58 19.98 14.97 34.71 112.82 -112.48 -78.60 132.89 6.71 93.15 0.13 4.86 0.57 0.04 0.15 0.02 0.00 17.21 77.15 46 L C C 35.08 14.21 16.54 31.78 115.19 -122.91 -79.11 138.70 87.44 12.36 0.20 85.88 1.97 0.19 0.11 0.08 0.00 10.41 1.36 47 S C C 40.87 8.15 18.87 27.94 118.55 -125.94 -79.46 156.19 94.68 3.75 1.57 91.43 2.71 0.56 1.25 0.27 0.00 1.90 1.88 48 R H H 124.60 10.28 13.13 24.15 92.28 -113.77 -60.67 -30.80 36.60 0.49 62.91 3.03 4.57 27.43 44.47 19.61 0.30 0.23 0.36 49 R H H 168.42 1.82 16.21 18.25 91.70 59.83 -68.64 -27.63 36.59 0.57 62.85 2.70 4.19 27.14 44.61 20.25 0.42 0.29 0.41 50 V H H 69.26 8.50 14.11 23.62 98.47 42.98 -89.08 -22.89 38.49 1.21 60.31 5.03 7.89 24.73 42.61 17.59 0.73 0.58 0.84 51 N C C 42.74 15.97 11.01 26.31 107.49 64.47 -94.17 37.67 68.79 2.31 28.90 29.59 18.31 21.94 23.33 4.25 0.19 0.82 1.57 52 R C C 172.97 2.16 19.69 21.76 96.57 -133.61 -4.46 26.64 92.48 2.39 5.14 41.73 22.20 29.22 2.62 2.01 0.00 1.17 1.06 53 L C C 28.04 18.74 8.46 26.24 119.64 140.28 -82.28 145.72 94.09 4.35 1.57 60.31 32.14 1.42 1.15 0.42 0.00 1.35 3.21 54 T C C 67.96 2.91 18.82 21.39 119.55 -111.90 -74.54 161.02 96.56 2.78 0.65 95.21 1.46 0.25 0.50 0.09 0.00 0.88 1.62 55 L H H 107.01 5.47 13.74 20.99 91.58 -106.02 -57.62 -38.86 1.43 0.01 98.57 0.31 0.23 0.74 98.42 0.29 0.00 0.00 0.00 56 K H H 135.02 1.75 18.41 19.59 91.44 52.30 -64.14 -40.61 0.63 0.00 99.37 0.07 0.05 0.43 99.13 0.32 0.00 0.00 0.00 57 Q H H 50.76 12.29 16.68 29.66 92.10 47.79 -66.63 -39.63 0.22 0.00 99.78 0.03 0.01 0.14 99.54 0.27 0.00 0.00 0.00 58 Q H H 35.65 17.22 15.74 32.76 91.60 52.79 -62.50 -42.15 0.08 0.00 99.92 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 59 R H H 131.30 3.54 22.96 26.45 91.40 50.78 -64.04 -40.90 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 60 L H H 64.31 7.92 22.25 30.63 91.81 49.84 -64.66 -42.11 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 61 I H H 11.25 21.75 18.62 40.28 91.86 49.48 -64.35 -43.12 0.11 0.00 99.89 0.01 0.01 0.07 99.90 0.01 0.00 0.00 0.00 62 T H H 39.11 13.22 22.13 35.20 91.79 50.83 -63.28 -42.26 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 63 S H H 50.00 3.82 24.75 28.33 91.47 49.58 -64.12 -42.13 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 64 A H H 19.33 13.03 21.07 35.01 91.79 50.27 -64.53 -42.38 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 65 I H H 18.57 19.69 19.56 38.91 91.96 50.02 -63.79 -42.85 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 66 K H H 94.69 7.67 23.30 31.27 91.66 50.58 -63.47 -41.79 0.17 0.00 99.83 0.01 0.01 0.12 99.84 0.02 0.00 0.00 0.00 67 Q H H 83.52 5.29 22.92 28.37 91.87 49.77 -64.74 -41.31 0.32 0.00 99.68 0.02 0.01 0.23 99.68 0.05 0.00 0.00 0.00 68 A H H 14.30 14.23 17.05 32.62 91.76 51.39 -64.04 -41.83 0.39 0.00 99.61 0.04 0.02 0.27 99.55 0.12 0.00 0.00 0.00 69 R H H 88.08 10.86 18.05 29.27 91.98 51.16 -64.19 -40.93 0.70 0.00 99.29 0.06 0.04 0.53 99.09 0.28 0.00 0.00 0.00 70 I H H 91.11 4.46 17.74 22.87 92.50 49.43 -66.37 -39.52 1.20 0.00 98.79 0.08 0.06 0.98 98.47 0.40 0.00 0.00 0.00 71 L H H 90.88 5.25 15.90 22.08 93.80 48.32 -72.00 -32.00 5.61 0.01 94.38 0.19 0.22 5.39 93.14 1.04 0.01 0.00 0.00 72 S H H 62.35 6.58 15.09 22.39 97.65 37.19 -85.27 -17.25 39.85 0.04 60.11 0.54 0.95 39.49 57.13 1.81 0.03 0.01 0.03 73 L C T 86.80 6.77 14.22 22.03 99.27 54.87 -89.70 -8.08 60.93 0.28 38.78 5.20 7.53 46.79 36.39 3.67 0.06 0.11 0.26 74 L H G 74.04 8.88 11.96 22.01 102.09 101.07 -68.86 -31.01 42.84 0.98 56.18 18.92 11.31 12.68 19.70 36.39 0.02 0.49 0.49 75 P H G 81.90 4.51 14.25 19.99 96.30 62.91 -69.20 -19.08 39.93 1.03 59.04 17.30 6.01 15.96 20.19 39.55 0.01 0.61 0.37 76 F H G 115.11 6.42 13.01 20.64 101.42 58.72 -86.39 -1.57 36.75 3.21 60.04 17.39 6.56 13.20 21.69 38.20 0.06 1.98 0.93 77 L C C 76.17 9.62 11.12 21.66 108.57 94.18 -85.78 108.31 59.03 5.12 35.85 35.56 11.99 11.58 23.29 12.66 0.08 2.68 2.17 78 N C C 100.73 4.52 13.24 19.02 105.26 -144.62 -90.71 64.53 74.23 2.15 23.62 40.20 16.58 17.44 17.49 6.23 0.02 1.04 1.00 79 N C C 87.22 6.09 12.11 19.59 102.73 101.40 -89.27 37.12 73.00 1.18 25.82 45.27 13.70 13.62 20.96 5.30 0.01 0.51 0.62 80 E H H 106.81 5.95 12.12 19.52 97.09 120.29 -68.20 -30.69 36.84 0.77 62.39 23.66 6.79 7.76 53.58 7.51 0.01 0.39 0.29 81 K H H 124.79 2.85 13.81 17.48 95.16 64.60 -67.62 -36.58 24.98 0.86 74.17 14.47 4.36 7.55 62.99 9.80 0.03 0.54 0.26 82 Q H H 89.12 5.22 13.35 19.93 94.64 54.67 -68.14 -37.77 20.29 1.07 78.64 12.11 3.45 6.15 66.77 10.47 0.03 0.73 0.28 83 F H H 80.76 8.53 11.40 21.25 95.39 52.43 -70.40 -35.64 19.69 1.23 79.09 12.06 3.75 5.81 68.87 8.34 0.03 0.81 0.33 84 E H H 108.38 3.85 13.94 18.89 95.09 56.38 -68.95 -32.49 25.64 1.33 73.02 16.10 4.92 6.78 65.98 5.00 0.03 0.80 0.39 85 R H H 139.31 3.38 13.46 17.76 96.18 56.55 -75.90 -27.80 34.66 1.25 64.09 21.41 6.49 8.37 58.66 3.96 0.02 0.65 0.44 86 T H H 69.02 6.01 12.18 19.52 102.54 58.54 -81.35 -12.82 41.68 1.20 57.12 28.40 6.03 7.90 53.08 3.55 0.01 0.60 0.43 87 E H H 111.82 4.38 13.29 18.91 99.90 65.02 -72.88 -26.74 42.52 1.16 56.32 26.99 7.07 8.93 52.35 3.64 0.01 0.56 0.45 88 S H H 61.50 4.85 12.83 18.97 97.92 59.57 -73.73 -27.68 49.23 1.02 49.74 31.27 8.14 9.51 46.41 3.76 0.01 0.49 0.42 89 T H H 74.28 5.33 12.91 19.53 96.85 62.78 -73.62 -31.74 46.29 1.26 52.45 30.64 8.78 7.22 48.09 4.18 0.01 0.62 0.45 90 T H H 77.22 4.06 13.69 18.87 96.50 59.90 -71.62 -35.65 42.74 1.88 55.38 29.65 6.92 6.95 50.07 4.76 0.01 1.05 0.59 91 R H H 131.86 4.24 14.11 19.38 96.27 56.48 -71.06 -34.18 42.57 2.42 55.01 29.61 6.74 7.28 49.45 4.79 0.02 1.36 0.76 92 T H H 63.20 7.28 12.31 20.86 97.89 54.60 -75.85 -30.25 43.85 2.31 53.84 31.37 6.04 7.55 48.16 4.82 0.01 1.28 0.76 93 A H H 64.16 4.22 13.76 19.20 96.24 65.93 -69.71 -36.25 40.00 1.39 58.61 22.62 7.47 11.58 50.66 6.37 0.04 0.77 0.50 94 N H H 96.77 3.29 14.15 18.31 97.36 54.96 -73.25 -22.65 45.02 1.35 53.63 19.85 8.76 17.77 44.85 7.41 0.07 0.74 0.55 95 F H H 104.86 6.76 10.88 18.97 102.00 69.99 -79.77 -13.59 45.32 2.61 52.08 25.20 9.86 12.50 42.91 7.08 0.07 1.41 0.97 96 R C H 139.59 4.02 11.47 17.02 104.26 78.24 -83.72 29.04 53.03 3.61 43.37 34.58 10.26 9.10 38.06 4.71 0.04 1.94 1.31 97 T C C 83.34 4.19 9.30 15.13 105.89 80.60 -83.86 52.62 58.88 3.22 37.90 38.85 9.10 11.11 33.17 4.77 0.02 1.75 1.23 98 K C C 149.17 2.13 9.06 12.63 102.86 72.62 -81.65 11.31 65.83 2.43 31.74 36.40 12.19 17.72 26.46 4.92 0.03 1.20 1.07 99 N C C 116.50 2.42 8.16 12.24 106.41 85.99 -88.38 69.53 80.93 1.35 17.73 61.45 2.65 17.01 14.79 2.67 0.00 0.72 0.69 100 K C C 148.06 2.73 10.29 14.71 105.08 77.67 -85.63 54.70 99.73 0.11 0.16 99.30 0.23 0.27 0.11 0.01 0.00 0.06 0.02