# 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 90.32 9.96 9.87 20.55 116.01 -145.15 -86.80 140.52 99.89 0.09 0.02 99.83 0.08 0.03 0.01 0.00 0.00 0.03 0.02 1 K C C 129.66 3.01 10.57 15.17 113.63 -121.69 -81.33 134.48 94.43 2.91 2.67 93.22 0.80 1.23 1.13 0.71 0.00 0.98 1.92 2 K C T 156.54 2.32 9.45 13.55 104.33 -117.03 -65.44 40.71 76.83 2.35 20.81 11.60 10.85 53.39 2.55 18.94 0.01 1.24 1.41 3 D C T 124.05 1.22 11.27 13.03 95.83 34.13 -67.97 0.72 79.54 0.90 19.56 7.11 10.78 60.38 1.91 18.80 0.00 0.52 0.49 4 I C T 92.33 5.60 10.17 17.36 100.70 87.25 -88.45 -17.57 73.07 5.09 21.84 15.35 23.18 35.44 2.72 18.02 0.06 2.43 2.78 5 H C S 84.23 8.85 9.23 19.50 119.08 57.46 -111.13 127.99 91.76 6.67 1.57 38.64 50.25 3.37 0.42 1.14 0.00 3.21 2.97 6 P C C 72.41 5.68 12.79 20.17 113.43 -110.91 -68.75 152.01 95.69 2.70 1.61 51.27 19.28 24.85 0.16 1.94 0.00 2.05 0.44 7 K C C 142.74 3.02 15.29 19.51 111.48 -104.00 -77.27 129.83 84.21 13.84 1.95 49.43 14.58 19.62 0.17 2.40 0.00 12.82 0.98 8 Y E E 89.97 14.07 9.53 23.20 126.33 -162.02 -118.05 150.67 45.69 54.12 0.19 40.90 3.73 0.39 0.04 0.16 0.00 52.98 1.79 9 E E E 102.02 4.95 17.00 23.15 123.81 -157.70 -114.20 143.20 16.04 83.90 0.06 13.95 1.56 0.15 0.01 0.04 0.00 83.78 0.51 10 E E E 117.68 6.40 15.69 23.73 114.37 -115.88 -80.68 134.32 10.15 89.83 0.01 9.42 0.40 0.03 0.00 0.01 0.00 90.06 0.09 11 I E E 30.04 14.97 12.47 28.46 129.81 -175.54 -129.99 150.22 4.03 95.97 0.00 3.70 0.13 0.01 0.00 0.00 0.00 96.12 0.04 12 T E E 66.46 6.26 20.16 27.37 118.47 -134.26 -104.58 131.59 0.63 99.37 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.00 13 A E E 12.82 18.48 13.41 32.35 128.89 -174.40 -127.37 147.70 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 14 S E E 51.47 5.78 20.45 27.11 117.63 -140.16 -106.62 128.76 1.03 98.97 0.00 0.90 0.03 0.00 0.00 0.00 0.00 98.99 0.07 15 C C C 18.16 17.23 10.36 27.57 123.69 -152.24 -90.60 167.31 55.35 44.58 0.07 53.56 1.27 0.14 0.01 0.05 0.00 43.74 1.22 16 S C T 80.04 4.04 15.04 20.32 91.58 -101.63 -64.66 -22.00 98.90 0.47 0.64 0.43 6.52 92.07 0.01 0.60 0.00 0.31 0.07 17 C C T 77.90 4.41 13.49 19.29 92.87 57.11 -87.83 -0.68 99.33 0.18 0.49 0.30 7.20 91.90 0.01 0.46 0.00 0.10 0.03 18 G C S 52.02 2.32 14.99 17.86 97.48 -101.46 88.08 5.49 98.67 1.01 0.33 15.89 81.82 1.18 0.03 0.23 0.00 0.54 0.31 19 N C C 67.71 6.95 12.09 21.17 117.94 136.50 -77.42 144.47 96.38 3.58 0.04 94.47 2.04 0.19 0.01 0.03 0.00 2.91 0.35 20 V E E 86.30 7.37 14.03 23.40 122.58 -155.18 -119.91 134.57 2.08 97.91 0.00 1.94 0.10 0.01 0.00 0.00 0.00 97.76 0.20 21 M E E 57.68 12.29 13.71 27.26 125.63 -172.67 -125.12 138.90 0.19 99.81 0.00 0.17 0.01 0.00 0.00 0.00 0.00 99.81 0.00 22 K E E 121.30 5.32 18.04 24.88 116.81 -144.63 -101.09 130.02 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 23 I E E 43.56 15.64 12.57 28.62 127.86 -176.18 -127.33 145.86 0.55 99.45 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.00 24 R E E 137.67 4.39 19.64 25.25 121.33 -150.53 -112.38 135.12 3.35 96.64 0.00 2.97 0.15 0.01 0.00 0.00 0.00 96.80 0.06 25 S E E 26.90 16.86 10.90 27.33 125.99 -147.63 -120.62 150.54 24.16 75.78 0.07 22.88 0.96 0.11 0.02 0.04 0.00 75.07 0.92 26 T C S 84.62 4.82 16.87 22.79 97.28 -146.57 -88.14 -11.60 86.90 12.64 0.46 24.48 55.93 6.03 0.05 0.43 0.00 12.38 0.70 27 V C S 76.40 6.94 12.92 21.24 114.84 64.71 -92.05 134.14 89.74 9.49 0.77 11.53 65.69 12.92 0.09 0.64 0.00 7.60 1.52 28 G C C 54.67 3.20 14.64 19.08 100.79 -126.79 81.30 4.39 95.81 3.45 0.74 44.60 41.51 9.71 0.06 0.94 0.00 2.56 0.63 29 H C S 119.11 3.13 15.54 19.83 128.54 76.78 -118.15 155.55 94.82 4.76 0.43 37.41 53.02 4.57 0.04 0.51 0.00 3.82 0.63 30 D C C 101.38 4.99 14.65 21.40 112.72 -99.41 -76.11 132.08 81.84 17.86 0.30 70.49 7.52 2.45 0.03 0.40 0.00 18.41 0.71 31 L E E 45.90 15.38 10.94 26.59 121.61 -164.73 -115.04 132.69 23.44 76.53 0.03 22.29 0.92 0.08 0.01 0.03 0.00 74.95 1.73 32 N E E 109.38 3.13 19.92 23.69 114.41 -150.44 -100.64 123.20 6.76 93.22 0.02 6.34 0.28 0.03 0.01 0.01 0.00 89.52 3.80 33 L E E 39.48 18.09 10.47 27.96 121.39 -168.04 -115.14 136.46 32.36 67.56 0.08 30.79 1.23 0.12 0.02 0.05 0.00 66.73 1.06 34 D C C 97.08 3.40 19.92 23.32 102.45 -146.19 -88.91 23.63 74.97 24.91 0.12 37.99 36.09 1.20 0.02 0.12 0.00 23.68 0.91 35 V C C 53.96 11.34 13.94 26.20 125.36 75.45 -117.86 140.21 76.15 23.50 0.35 55.82 20.82 0.79 0.14 0.27 0.00 12.96 9.21 36 C C C 38.14 9.07 15.51 26.26 124.84 -157.42 -109.35 158.19 94.68 5.07 0.25 93.54 1.58 0.22 0.08 0.13 0.00 2.40 2.05 37 S C T 63.12 8.03 13.85 23.29 91.41 -115.11 -62.47 -27.12 70.98 0.45 28.57 2.09 5.15 61.69 1.42 29.16 0.00 0.25 0.24 38 K C T 149.09 1.96 17.04 19.24 91.43 62.40 -71.68 -21.64 73.58 0.16 26.26 0.60 3.06 70.00 1.05 25.13 0.00 0.08 0.07 39 C C T 54.54 8.76 13.33 23.50 99.32 42.95 -101.32 -7.36 73.00 0.60 26.40 2.36 7.16 61.60 1.50 26.74 0.00 0.31 0.32 40 H C C 48.27 12.48 10.08 23.63 115.88 95.45 -87.95 132.08 97.57 1.52 0.91 65.95 30.42 0.65 0.61 0.27 0.00 0.31 1.80 41 P H T 82.11 4.33 14.55 20.40 92.82 -138.41 -62.50 -27.36 48.41 0.20 51.39 2.07 3.28 41.95 14.80 37.62 0.01 0.10 0.17 42 F H T 120.57 5.03 13.12 19.45 93.20 59.65 -73.81 -20.25 47.18 0.35 52.48 1.89 3.44 40.36 16.98 36.81 0.04 0.18 0.30 43 F H G 98.14 8.16 10.39 19.77 99.13 53.14 -88.13 -4.88 41.98 2.47 55.55 8.61 8.17 24.63 17.75 38.01 0.19 1.32 1.33 44 T C T 84.06 3.64 11.57 16.51 100.51 58.71 -90.61 -4.31 64.86 5.00 30.14 21.00 17.23 27.65 17.90 10.61 0.28 2.17 3.15 45 G C T 56.13 2.54 10.97 15.01 99.08 -111.41 77.47 3.73 88.23 2.07 9.70 27.38 27.43 34.15 3.55 5.43 0.01 0.98 1.07 46 K C C 152.10 1.48 11.29 13.47 107.33 97.67 -92.10 43.54 88.12 3.35 8.52 44.35 26.06 17.84 3.09 5.42 0.00 1.69 1.53 47 Q C C 115.43 5.01 9.08 15.94 112.55 101.72 -90.19 123.08 85.21 6.62 8.17 62.53 15.20 7.22 3.68 4.63 0.00 4.39 2.35 48 R C C 163.35 3.00 10.29 15.08 111.79 -171.54 -98.15 127.85 79.25 11.70 9.05 61.28 12.28 5.00 5.39 4.07 0.01 8.52 3.45 49 D C C 106.92 3.08 10.83 15.51 110.83 -135.17 -90.81 111.85 73.60 15.89 10.51 55.97 11.86 5.14 6.97 4.13 0.01 11.77 4.14 50 V C C 90.35 6.59 9.75 17.66 108.27 160.66 -92.61 69.07 71.64 15.09 13.27 53.90 11.29 5.68 9.79 4.16 0.02 11.02 4.15 51 A C C 71.33 4.86 10.68 17.08 106.76 79.24 -85.41 75.88 80.43 7.72 11.85 60.83 11.56 7.28 8.97 3.52 0.00 5.72 2.11 52 T C C 95.90 3.42 10.89 15.79 106.14 64.31 -94.93 26.61 78.28 3.87 17.85 37.73 23.64 17.04 14.34 3.67 0.04 2.17 1.37 53 G C S 47.10 3.85 12.30 17.21 105.48 50.69 65.03 -0.74 72.29 1.25 26.46 17.47 31.04 23.33 23.66 3.25 0.05 0.48 0.71 54 G C H 41.47 3.42 14.03 18.39 108.63 14.77 44.02 -114.86 50.09 1.07 48.84 15.39 20.75 14.93 45.39 2.51 0.08 0.38 0.58 55 R H H 127.28 5.59 14.44 20.90 94.49 -1.44 -67.83 -35.98 10.46 0.43 89.11 4.55 2.36 4.54 86.59 1.55 0.05 0.22 0.15 56 V H H 54.98 9.22 12.58 22.99 92.77 52.57 -65.32 -41.03 4.03 0.24 95.73 1.66 0.70 1.95 94.46 1.02 0.03 0.15 0.05 57 D H H 79.70 2.63 15.96 18.90 92.12 51.28 -64.66 -40.55 2.83 0.20 96.96 1.31 0.44 1.36 95.73 0.97 0.02 0.14 0.03 58 R H H 124.62 2.22 16.27 18.29 92.18 50.53 -65.22 -40.87 2.47 0.14 97.38 0.90 0.37 1.37 96.35 0.88 0.01 0.10 0.02 59 F H H 63.13 7.62 12.84 22.36 92.22 50.42 -64.81 -41.82 2.13 0.09 97.78 0.64 0.26 1.24 96.91 0.86 0.01 0.06 0.01 60 N H H 68.52 6.50 12.47 20.69 92.10 51.80 -64.20 -39.40 2.98 0.06 96.96 0.77 0.30 1.82 95.74 1.32 0.01 0.04 0.01 61 K H H 144.67 1.21 14.35 15.01 92.29 51.73 -66.32 -37.68 5.64 0.04 94.32 0.66 0.41 4.40 92.35 2.13 0.01 0.02 0.01 62 R H H 148.82 2.43 13.13 16.35 94.25 48.90 -71.16 -33.95 11.05 0.06 88.88 0.91 0.85 9.04 87.52 1.60 0.02 0.03 0.03 63 F C H 106.47 6.33 9.97 17.82 101.15 38.04 -99.03 -1.20 50.52 0.71 48.78 5.30 8.43 35.97 47.21 2.25 0.11 0.25 0.47 64 N C T 122.66 1.91 12.53 15.36 101.45 -129.24 6.48 64.09 97.61 0.52 1.86 32.39 5.98 59.62 1.08 0.46 0.00 0.24 0.21 65 I C C 91.81 7.04 7.49 16.11 115.38 -148.15 -94.68 129.66 99.76 0.22 0.02 99.20 0.58 0.06 0.01 0.00 0.00 0.09 0.07 66 P C C 96.39 2.96 13.15 17.37 109.31 -106.61 -67.06 141.26 99.97 0.02 0.01 99.89 0.07 0.02 0.00 0.00 0.00 0.01 0.00