# 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 96.92 9.03 9.78 19.81 115.55 -154.20 -88.40 138.37 99.86 0.12 0.02 99.80 0.09 0.03 0.01 0.00 0.00 0.05 0.02 1 K C C 130.67 2.98 10.21 14.83 113.39 -120.15 -83.24 136.57 95.49 2.17 2.34 94.07 0.73 1.49 0.88 0.71 0.00 0.80 1.31 2 S C T 89.49 2.27 9.05 12.96 101.69 -116.63 -65.73 -16.59 83.44 2.35 14.20 18.48 13.81 50.75 1.81 12.70 0.00 1.23 1.22 3 D C T 124.14 1.19 10.91 12.59 96.98 40.20 -74.78 -0.02 85.62 1.29 13.09 11.12 15.94 57.78 1.28 12.53 0.00 0.74 0.61 4 I C S 92.48 6.05 9.69 17.26 101.44 73.89 -90.17 -10.30 77.01 7.33 15.67 24.56 26.79 26.73 2.12 12.64 0.04 3.41 3.71 5 H C C 95.51 7.66 9.69 18.97 118.47 76.77 -105.26 129.86 91.60 7.16 1.24 49.89 39.75 2.48 0.36 0.90 0.00 3.80 2.83 6 P C C 72.76 5.78 12.57 20.07 115.11 -108.67 -69.48 152.78 94.39 3.57 2.05 53.41 17.31 23.33 0.22 2.35 0.00 2.86 0.53 7 A C C 72.72 3.88 15.22 20.15 112.15 -100.98 -73.54 138.93 80.78 16.60 2.62 45.30 14.43 20.32 0.22 3.00 0.00 15.91 0.84 8 Y E E 98.36 13.30 10.19 23.29 125.94 -156.51 -114.70 145.03 38.73 61.04 0.23 34.26 3.81 0.41 0.05 0.19 0.00 59.26 2.01 9 E E E 96.74 5.55 16.60 23.48 126.67 -160.41 -120.11 145.33 11.62 88.33 0.05 10.13 1.11 0.11 0.01 0.03 0.00 88.23 0.38 10 E E E 124.48 5.33 16.01 23.09 113.79 -114.03 -79.70 133.60 8.19 91.79 0.02 7.41 0.40 0.03 0.00 0.01 0.00 92.06 0.09 11 T E E 27.69 14.03 12.57 27.64 134.35 170.39 -138.22 158.27 4.49 95.51 0.00 4.12 0.15 0.01 0.00 0.00 0.00 95.69 0.04 12 T E E 65.39 6.32 20.43 27.72 118.54 -126.37 -106.12 132.10 0.66 99.34 0.00 0.58 0.01 0.00 0.00 0.00 0.00 99.40 0.00 13 V E E 16.75 19.12 13.63 33.21 123.13 -167.81 -116.46 137.39 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 14 V E E 63.09 6.17 20.73 27.99 115.16 -147.87 -106.19 122.61 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.65 0.03 15 C E E 18.70 17.16 11.10 28.32 123.06 -157.35 -89.64 164.10 49.78 50.17 0.05 48.34 0.82 0.09 0.01 0.03 0.00 49.89 0.82 16 G C T 49.04 4.91 15.15 21.34 91.84 -102.57 -62.91 -24.14 98.28 0.71 1.01 0.67 7.62 90.02 0.02 1.05 0.00 0.51 0.10 17 C C T 78.79 4.48 13.89 19.66 92.74 57.13 -88.17 1.47 98.88 0.21 0.91 0.36 6.81 91.71 0.02 0.93 0.00 0.12 0.05 18 G C S 52.94 2.18 15.44 17.98 96.92 -100.90 88.12 4.70 98.18 1.05 0.77 12.86 82.81 2.72 0.06 0.61 0.00 0.59 0.35 19 N C C 66.79 7.64 12.18 21.82 118.72 135.86 -78.12 145.43 95.26 4.71 0.03 94.28 1.26 0.13 0.01 0.02 0.00 3.93 0.37 20 T E E 79.82 7.20 14.48 23.88 126.01 -157.83 -125.71 140.50 1.31 98.69 0.00 1.23 0.05 0.00 0.00 0.00 0.00 98.57 0.15 21 F E E 60.56 13.31 13.96 28.28 130.38 -174.98 -132.78 147.23 0.15 99.85 0.00 0.13 0.01 0.00 0.00 0.00 0.00 99.86 0.00 22 Q E E 103.38 6.12 18.78 26.32 120.17 -144.34 -108.71 133.87 0.24 99.76 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 23 T E E 31.18 16.92 13.38 30.39 132.59 -177.16 -132.20 150.41 1.13 98.86 0.00 1.00 0.05 0.00 0.00 0.00 0.00 98.94 0.01 24 R E E 127.90 5.30 20.95 27.46 122.91 -156.42 -116.26 138.65 3.27 96.72 0.00 2.92 0.16 0.01 0.00 0.00 0.00 96.82 0.08 25 S E E 23.04 17.87 11.39 28.90 124.28 -148.47 -105.78 150.48 16.23 83.74 0.04 15.39 0.68 0.08 0.01 0.02 0.00 82.67 1.16 26 T C S 87.32 4.60 17.54 23.17 97.13 -147.96 -92.66 -9.30 84.92 14.98 0.10 31.45 52.48 1.24 0.01 0.09 0.00 14.11 0.61 27 K C S 96.57 6.72 11.67 20.28 118.31 89.90 -90.74 137.58 92.76 6.87 0.37 23.97 67.06 2.29 0.07 0.30 0.00 5.03 1.29 28 P C T 116.48 1.65 13.72 16.18 106.57 -114.24 -67.20 137.58 95.89 2.62 1.49 22.13 21.13 52.45 0.11 1.73 0.00 1.93 0.52 29 G C T 57.01 1.63 14.77 16.37 118.60 23.65 91.93 -0.02 95.24 2.74 2.02 17.99 22.39 54.66 0.13 2.34 0.00 1.97 0.51 30 G C C 36.07 6.27 13.10 20.85 123.78 123.09 105.77 -167.70 90.28 7.93 1.80 47.73 36.46 6.05 0.14 2.19 0.00 6.52 0.93 31 R E E 149.46 4.26 16.04 21.90 123.14 -57.49 -115.54 138.86 46.80 52.87 0.33 41.57 4.16 0.62 0.06 0.30 0.00 51.85 1.45 32 I E E 48.56 16.18 11.78 28.15 121.37 -160.76 -117.41 129.81 10.23 89.74 0.02 9.67 0.48 0.03 0.01 0.01 0.00 89.26 0.54 33 V E E 87.02 4.85 20.37 26.05 117.79 -158.56 -109.16 126.78 3.81 96.17 0.02 3.82 0.10 0.01 0.01 0.00 0.00 95.56 0.50 34 V E E 35.68 17.47 11.24 28.52 119.46 -165.53 -110.97 131.30 18.18 81.70 0.12 18.04 0.46 0.06 0.05 0.05 0.00 80.69 0.64 35 E C S 116.42 4.04 19.96 24.46 98.70 -168.14 -87.74 -24.85 72.27 27.41 0.32 26.26 44.30 1.32 0.05 0.24 0.00 27.30 0.53 36 V C C 58.08 9.05 17.23 27.43 128.84 26.63 -133.44 142.00 67.19 32.10 0.72 40.35 27.20 1.20 0.29 0.55 0.00 21.65 8.75 37 C C C 29.69 13.11 15.04 29.31 121.52 -152.29 -112.67 143.82 92.40 7.33 0.27 91.84 1.33 0.20 0.09 0.13 0.00 4.18 2.23 38 S C T 56.76 8.65 15.68 25.59 92.01 -120.27 -62.80 -27.09 67.10 0.68 32.22 2.73 5.48 56.38 1.51 33.21 0.00 0.38 0.30 39 Q C T 120.49 3.71 18.12 22.56 91.80 60.00 -71.55 -23.77 70.42 0.22 29.36 0.65 3.16 66.28 1.08 28.63 0.00 0.12 0.09 40 C C T 49.59 9.82 14.43 25.58 99.79 39.51 -104.04 -6.15 67.67 0.76 31.56 3.01 7.26 55.27 1.57 32.10 0.00 0.40 0.37 41 H C C 47.71 12.81 11.54 25.50 114.25 104.94 -84.02 130.47 97.64 1.50 0.86 72.74 23.81 0.45 0.68 0.18 0.00 0.30 1.85 42 P H G 72.04 5.44 15.27 22.37 93.45 -140.97 -62.72 -28.78 40.64 0.20 59.16 1.63 2.50 35.15 23.80 36.60 0.03 0.10 0.18 43 F H G 107.74 6.27 13.83 21.35 93.02 57.91 -70.78 -28.72 38.31 0.30 61.38 1.28 2.40 33.28 25.17 37.37 0.08 0.16 0.27 44 Y H G 104.46 8.07 11.82 21.12 97.98 49.79 -84.95 -22.55 34.90 1.31 63.80 3.22 4.71 24.82 26.10 39.21 0.35 0.74 0.86 45 T C T 77.49 4.12 12.33 17.74 99.80 46.11 -92.26 -8.04 55.26 3.78 40.96 8.07 12.19 34.15 23.53 16.66 0.78 1.78 2.84 46 G C T 54.28 3.07 11.25 15.93 97.52 -112.09 77.28 4.06 88.96 1.54 9.50 16.80 24.06 48.59 3.77 5.14 0.01 0.78 0.86 47 K C C 155.52 1.28 12.32 13.61 100.71 95.64 -91.90 -5.80 89.96 2.56 7.47 37.65 30.29 22.07 2.35 5.16 0.00 1.36 1.11 48 Q C C 111.85 5.09 9.46 16.47 115.86 74.00 -98.69 133.02 87.54 6.37 6.09 60.05 20.45 6.87 2.05 4.28 0.00 4.43 1.87 49 K C C 145.04 2.68 11.82 16.28 118.82 -156.86 -108.13 137.23 83.37 12.62 4.01 72.66 7.99 2.40 1.97 2.16 0.00 9.97 2.84 50 I C C 99.34 7.50 9.63 18.61 114.33 -134.18 -91.77 128.71 72.70 23.54 3.76 62.91 6.79 1.96 2.50 1.61 0.00 16.42 7.81 51 L C C 111.66 4.06 11.08 16.76 109.08 -157.73 -93.73 114.22 78.19 16.99 4.81 59.80 13.74 4.17 2.95 2.21 0.00 12.79 4.35 52 D C C 93.17 5.04 9.55 16.34 109.97 80.28 -98.21 104.09 87.24 8.30 4.46 69.18 12.01 5.71 2.40 2.10 0.00 6.54 2.07 53 S C C 82.30 2.97 10.43 15.02 101.59 174.85 -92.73 2.99 83.38 3.72 12.90 34.94 25.23 23.84 8.56 3.88 0.03 2.10 1.42 54 G C S 54.67 2.27 11.98 15.22 101.70 -84.25 73.08 4.96 77.74 1.13 21.13 12.86 32.57 32.13 17.04 4.16 0.04 0.46 0.74 55 G C H 40.83 4.12 12.93 18.22 111.01 -49.86 76.19 -149.73 61.16 1.43 37.41 16.31 30.12 14.74 34.48 2.95 0.08 0.51 0.80 56 R H H 133.72 4.58 14.46 19.89 94.44 -9.44 -67.68 -37.03 12.92 0.84 86.24 5.81 3.24 5.21 83.31 1.59 0.09 0.48 0.26 57 V H H 54.39 9.19 12.84 23.25 92.90 51.63 -65.61 -41.22 5.57 0.85 93.58 2.42 1.03 2.72 91.76 1.23 0.08 0.63 0.14 58 A H H 49.04 3.48 15.50 19.96 91.93 51.90 -64.24 -41.35 3.28 0.71 96.01 1.62 0.52 1.50 94.55 1.09 0.02 0.64 0.06 59 R H H 122.30 2.46 17.03 19.32 92.25 50.44 -65.42 -40.91 2.76 0.55 96.69 1.19 0.44 1.41 95.48 0.90 0.02 0.50 0.05 60 F H H 62.52 8.37 13.60 23.69 92.26 50.53 -64.96 -41.60 2.31 0.37 97.32 0.96 0.34 1.19 96.32 0.81 0.01 0.33 0.03 61 E H H 84.97 7.38 13.54 22.27 92.13 52.08 -64.65 -39.24 1.92 0.15 97.93 0.69 0.22 1.03 97.09 0.82 0.01 0.13 0.01 62 K H H 145.83 1.35 15.66 16.46 92.31 50.92 -66.83 -37.64 3.56 0.09 96.35 0.64 0.31 2.56 95.12 1.28 0.01 0.07 0.02 63 R H H 145.59 2.48 14.77 17.70 95.81 45.27 -74.81 -35.64 6.80 0.07 93.13 0.66 0.53 5.48 92.28 0.96 0.02 0.04 0.02 64 Y H H 104.79 7.70 11.64 20.63 102.46 32.92 -103.83 -6.64 21.82 0.38 77.80 3.83 4.33 14.53 75.71 1.13 0.10 0.12 0.25 65 G C C 36.36 6.45 11.98 19.79 109.56 118.73 -58.88 -132.85 71.47 1.31 27.22 37.05 10.80 23.77 15.15 11.89 0.00 0.67 0.67 66 K C C 147.14 2.89 13.34 17.31 103.50 -45.22 -85.17 33.78 65.21 2.75 32.04 27.43 16.97 21.16 15.65 16.06 0.04 1.49 1.21 67 R C C 138.51 5.40 11.10 18.14 109.33 93.12 -86.23 106.69 64.78 3.21 32.01 36.29 14.85 13.56 16.64 15.53 0.03 1.70 1.40 68 K C C 128.24 4.48 12.35 18.38 110.42 -135.14 -88.33 110.65 73.24 2.66 24.11 51.41 12.25 9.12 16.81 7.79 0.01 1.39 1.22 69 V C C 88.00 6.54 10.77 18.60 111.17 -122.53 -85.47 119.12 71.45 2.10 26.45 42.65 14.44 14.14 21.07 5.67 0.01 1.02 1.00 70 G C C 46.69 4.25 12.76 18.15 103.93 23.83 66.98 -13.40 70.54 1.27 28.19 37.22 15.65 17.82 20.90 7.15 0.01 0.57 0.67 71 A C H 67.17 4.93 11.00 17.45 102.76 91.24 -77.78 -14.62 56.78 1.49 41.73 30.31 14.40 12.83 31.01 10.02 0.02 0.72 0.68 72 D C H 102.67 3.32 11.26 15.99 102.73 69.19 -82.21 8.00 53.26 2.54 44.20 32.40 10.46 10.92 33.58 10.22 0.02 1.44 0.95 73 K C H 135.57 3.42 11.17 16.07 102.98 73.97 -81.71 0.59 49.14 4.39 46.47 32.46 9.16 8.65 36.59 8.94 0.04 2.74 1.42 74 A C H 71.90 4.38 10.21 16.19 105.47 68.40 -83.06 61.43 50.66 6.35 42.99 34.14 9.13 8.50 35.46 6.70 0.04 4.24 1.77 75 V C C 98.68 4.21 9.48 15.41 110.13 76.20 -89.77 116.99 54.71 8.36 36.93 35.57 10.73 9.20 31.01 5.58 0.06 5.61 2.25 76 S C C 78.23 3.35 9.16 14.28 110.82 -132.33 -88.54 122.34 65.53 7.62 26.84 43.54 10.49 11.23 22.72 4.67 0.03 5.09 2.23 77 T C C 107.00 2.16 8.17 12.01 106.07 -155.71 -90.17 28.30 75.49 6.14 18.37 38.19 14.37 23.32 14.56 3.88 0.03 3.71 1.93 78 G C C 58.82 1.84 9.13 12.31 107.62 -37.89 38.22 21.57 90.84 2.88 6.28 63.40 4.48 23.62 4.02 1.59 0.00 1.90 0.99 79 K C C 152.31 2.24 10.39 14.14 107.99 72.58 -87.77 101.98 99.72 0.23 0.06 99.49 0.20 0.11 0.03 0.01 0.00 0.12 0.05