# 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 109.19 6.34 10.49 18.26 115.49 -150.85 -93.14 135.15 99.91 0.08 0.01 99.84 0.08 0.03 0.00 0.00 0.00 0.04 0.01 1 R C C 164.53 2.47 10.04 14.16 114.52 -131.20 -87.63 135.60 87.03 8.65 4.32 82.92 1.47 3.02 2.28 1.45 0.00 4.70 4.16 2 S C C 78.57 3.36 8.34 13.52 112.29 -120.00 -83.31 139.10 82.59 7.13 10.28 57.17 14.22 11.14 4.33 5.93 0.01 4.29 2.92 3 S C C 77.96 3.66 8.46 13.85 108.93 -140.99 -87.98 111.59 79.04 3.80 17.17 41.88 20.21 17.67 6.23 10.38 0.01 2.07 1.56 4 S C C 83.96 2.59 9.30 13.41 105.10 118.04 -86.44 30.50 76.56 2.68 20.76 35.52 23.20 18.71 7.48 12.43 0.01 1.35 1.30 5 K C C 141.94 2.91 9.44 14.04 108.96 94.09 -87.30 103.83 76.61 3.75 19.64 43.06 21.18 12.90 7.90 11.27 0.01 1.97 1.71 6 K C C 133.81 4.05 9.53 15.35 112.18 -137.73 -85.62 126.43 78.54 5.81 15.65 53.15 15.25 10.13 6.59 9.15 0.01 3.60 2.13 7 K C C 146.31 2.95 11.78 16.23 108.83 -146.43 -90.46 103.46 79.60 10.13 10.28 52.19 19.58 7.92 4.70 5.63 0.02 6.35 3.61 8 I C C 71.46 10.28 9.15 20.33 120.05 129.60 -108.84 132.82 84.20 11.55 4.25 61.08 20.22 2.50 2.67 1.70 0.00 6.45 5.38 9 D C C 73.03 4.50 15.46 21.29 109.28 -147.19 -98.35 112.38 91.68 6.59 1.74 87.04 3.91 0.85 1.12 0.57 0.00 3.67 2.84 10 I C T 69.23 13.44 9.72 23.49 93.64 -162.13 -64.43 -27.55 60.80 1.05 38.15 7.51 5.66 45.42 2.33 38.07 0.00 0.66 0.35 11 S C T 77.23 3.48 13.49 18.32 91.87 63.66 -70.68 -21.19 66.18 0.41 33.41 2.15 4.04 59.65 1.48 32.29 0.00 0.25 0.15 12 N C T 118.16 1.58 14.98 16.33 98.07 44.43 -96.88 -2.33 62.62 0.69 36.69 4.29 7.13 48.92 1.36 37.64 0.00 0.42 0.23 13 H C C 65.85 13.65 7.96 21.30 119.27 96.10 -90.25 145.42 92.19 5.03 2.78 73.02 16.07 3.11 0.88 1.86 0.00 2.66 2.39 14 E C C 135.26 2.74 15.98 19.75 116.35 -148.68 -102.30 132.39 78.65 18.96 2.39 59.20 15.61 3.54 0.81 1.74 0.00 13.59 5.51 15 L C C 91.24 9.15 13.47 23.41 111.58 -122.38 -86.40 123.19 62.26 36.38 1.36 47.14 12.22 2.05 0.57 1.01 0.00 24.65 12.35 16 V C C 60.38 11.85 13.18 25.82 118.82 -155.07 -111.91 126.25 68.84 31.06 0.10 62.94 5.70 0.17 0.04 0.07 0.00 26.86 4.22 17 P C C 53.97 10.60 14.58 26.30 116.18 -114.33 -68.57 152.77 85.58 14.37 0.06 78.59 5.77 0.31 0.01 0.05 0.00 14.73 0.54 18 K C C 134.47 4.11 18.60 23.90 113.16 -102.63 -74.87 135.55 73.26 26.64 0.11 66.95 5.00 0.37 0.02 0.09 0.00 26.10 1.47 19 H E E 58.33 18.49 10.79 28.17 127.66 -164.50 -121.29 145.93 31.57 68.36 0.07 29.94 1.72 0.10 0.02 0.04 0.00 66.06 2.12 20 E E E 99.50 5.78 21.00 27.63 122.48 -145.79 -118.28 135.52 13.27 86.69 0.04 12.79 0.45 0.05 0.02 0.02 0.00 84.88 1.79 21 I E E 74.43 13.52 16.09 29.76 114.28 -130.10 -87.19 127.98 20.74 79.16 0.10 20.10 0.83 0.10 0.06 0.05 0.00 76.24 2.62 22 L C C 24.69 17.60 11.33 29.06 120.65 -134.81 -86.16 147.69 79.97 19.91 0.12 79.04 1.72 0.09 0.06 0.05 0.00 18.06 0.99 23 Q C C 97.99 2.58 20.64 22.23 119.03 -110.50 -73.64 159.32 98.53 1.23 0.24 98.49 0.39 0.07 0.15 0.03 0.00 0.72 0.15 24 L H H 99.27 7.84 12.74 22.06 91.50 -106.01 -57.32 -39.01 1.90 0.01 98.09 0.47 0.29 0.94 97.85 0.45 0.00 0.00 0.00 25 E H H 132.17 1.01 18.52 17.38 91.85 52.70 -63.66 -40.49 1.03 0.00 98.96 0.19 0.10 0.62 98.52 0.55 0.00 0.00 0.00 26 E H H 62.01 8.02 16.50 26.12 92.16 49.31 -65.85 -39.73 0.54 0.00 99.45 0.13 0.05 0.30 98.95 0.57 0.00 0.00 0.00 27 A H H 9.72 19.63 13.04 32.85 91.52 52.04 -62.83 -42.59 0.32 0.00 99.68 0.07 0.03 0.15 99.66 0.09 0.00 0.00 0.00 28 Y H H 118.61 4.94 19.98 25.48 91.69 50.32 -63.87 -41.14 0.36 0.00 99.64 0.06 0.02 0.19 99.71 0.02 0.00 0.00 0.00 29 K H H 110.75 2.04 22.03 22.40 91.76 50.04 -64.60 -41.87 0.30 0.00 99.69 0.06 0.02 0.15 99.76 0.02 0.00 0.00 0.00 30 L H H 14.53 15.75 16.25 33.20 91.97 49.62 -64.23 -43.11 0.36 0.00 99.64 0.06 0.03 0.18 99.71 0.02 0.00 0.00 0.00 31 V H H 20.40 16.19 14.12 30.91 92.02 49.99 -63.63 -41.94 0.35 0.00 99.65 0.06 0.03 0.18 99.70 0.03 0.00 0.00 0.00 32 K H H 151.67 1.19 18.46 18.55 91.68 49.56 -64.12 -40.48 0.59 0.00 99.41 0.07 0.02 0.39 99.38 0.13 0.00 0.00 0.00 33 E H H 123.66 2.92 16.48 20.09 91.97 50.01 -66.51 -36.26 2.27 0.00 97.73 0.07 0.08 2.03 97.60 0.21 0.00 0.00 0.00 34 L H H 47.35 13.49 11.95 25.98 96.69 37.83 -96.04 -1.29 21.71 0.02 78.27 0.47 1.21 19.84 77.85 0.58 0.02 0.01 0.02 35 G C T 61.36 1.07 19.74 19.25 94.27 -119.55 64.40 32.69 99.85 0.01 0.14 11.19 2.61 86.10 0.05 0.04 0.00 0.00 0.00 36 I C C 31.97 16.63 9.39 25.80 129.79 131.86 -121.31 154.87 99.67 0.30 0.04 92.88 6.61 0.08 0.01 0.01 0.00 0.06 0.34 37 K C C 118.87 2.21 22.61 23.40 121.65 -132.07 -99.74 149.59 99.85 0.11 0.04 99.35 0.51 0.03 0.01 0.02 0.00 0.04 0.05 38 P H G 54.58 17.18 11.20 27.57 91.29 -114.01 -57.46 -34.08 5.44 0.03 94.54 0.24 0.32 3.29 0.16 95.97 0.00 0.01 0.00 39 E H G 147.09 1.76 18.67 20.53 90.52 62.38 -70.15 -15.63 5.26 0.02 94.72 0.13 0.24 3.42 0.12 96.09 0.00 0.01 0.00 40 Q H G 95.64 7.01 17.99 26.02 94.15 61.37 -88.66 -5.02 6.24 0.04 93.71 0.53 0.57 3.00 0.18 95.70 0.00 0.02 0.00 41 L C S 12.94 23.98 11.05 34.47 118.34 98.28 -85.11 139.57 99.37 0.54 0.08 43.48 55.82 0.19 0.02 0.03 0.00 0.16 0.30 42 P C C 37.47 11.48 21.20 33.49 114.75 -108.90 -68.22 148.38 98.32 1.66 0.02 91.26 7.09 0.16 0.00 0.02 0.00 1.15 0.32 43 W E E 122.82 12.80 22.14 34.27 118.63 -127.84 -90.91 137.88 29.80 70.10 0.10 27.30 2.15 0.11 0.05 0.06 0.00 57.58 12.75 44 I E E 13.30 23.02 14.08 37.09 119.60 -153.91 -106.71 133.39 24.90 75.05 0.05 24.94 0.53 0.02 0.03 0.02 0.00 66.64 7.83 45 R E E 110.15 5.34 23.43 28.69 116.97 -123.85 -80.19 143.36 41.88 57.74 0.39 41.09 1.00 0.28 0.15 0.23 0.00 47.76 9.49 46 A C T 47.15 15.30 12.60 27.88 91.50 -121.51 -62.14 -26.51 99.20 0.14 0.65 0.50 2.79 96.12 0.03 0.46 0.00 0.07 0.03 47 S C T 89.92 1.42 19.12 19.60 93.29 57.29 -90.12 -1.23 99.35 0.04 0.62 0.63 2.84 95.99 0.02 0.49 0.00 0.02 0.01 48 D C C 27.77 15.50 10.00 26.33 113.09 119.01 -69.30 132.96 99.59 0.21 0.20 69.47 29.92 0.15 0.12 0.04 0.00 0.04 0.26 49 P H H 82.35 3.47 20.03 23.91 91.24 -130.87 -60.25 -34.11 8.69 0.01 91.30 0.32 0.89 7.89 90.27 0.60 0.02 0.00 0.01 50 V H H 27.61 15.55 17.31 33.20 91.93 55.16 -64.91 -39.99 3.89 0.01 96.10 0.13 0.26 3.77 95.09 0.74 0.01 0.00 0.00 51 A H H 5.03 22.66 13.18 35.82 91.74 51.03 -64.55 -41.49 0.68 0.00 99.32 0.09 0.06 0.49 98.52 0.84 0.00 0.00 0.00 52 K H H 136.03 3.18 19.55 23.67 92.04 50.10 -64.82 -39.64 0.48 0.00 99.52 0.05 0.03 0.37 98.45 1.10 0.00 0.00 0.00 53 S H H 66.71 5.15 19.14 24.98 92.23 50.87 -67.06 -35.69 2.69 0.01 97.30 0.08 0.14 2.70 96.24 0.83 0.01 0.00 0.00 54 I H H 32.26 17.81 14.56 32.22 95.33 40.20 -91.13 -9.89 28.45 0.02 71.53 0.40 1.53 26.30 71.02 0.70 0.02 0.00 0.02 55 G C T 47.65 3.14 23.50 26.76 94.98 -119.41 71.79 28.85 99.80 0.01 0.19 18.41 1.68 79.77 0.09 0.03 0.00 0.00 0.00 56 A C C 7.52 24.83 9.56 33.61 118.09 169.26 -76.67 144.71 99.71 0.27 0.03 98.98 0.64 0.04 0.01 0.01 0.00 0.06 0.26 57 K C C 114.56 2.84 25.09 28.01 132.20 -168.98 -130.81 157.28 99.88 0.11 0.01 99.09 0.76 0.02 0.00 0.00 0.00 0.02 0.10 58 P C T 76.43 10.76 16.97 28.26 110.38 -76.02 -58.71 135.84 99.87 0.06 0.07 0.07 1.30 98.55 0.00 0.04 0.00 0.02 0.02 59 G C T 33.71 7.11 20.51 28.78 96.15 25.24 89.66 -6.42 99.93 0.03 0.04 0.14 1.23 98.59 0.00 0.03 0.00 0.02 0.00 60 D C C 30.20 13.72 18.77 33.76 117.47 132.75 -72.47 146.60 92.78 7.21 0.01 89.07 3.96 0.06 0.00 0.01 0.00 6.59 0.31 61 I E E 35.38 15.42 22.10 37.92 116.52 -132.60 -101.92 128.09 2.44 97.56 0.00 2.60 0.05 0.00 0.00 0.00 0.00 96.91 0.43 62 I E E 9.59 22.36 19.11 41.47 125.94 -169.63 -119.45 140.30 0.52 99.48 0.00 0.52 0.00 0.00 0.00 0.00 0.00 99.47 0.01 63 K E E 73.75 10.54 24.12 35.05 115.24 -135.77 -97.74 127.49 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 64 I E E 14.47 20.89 16.58 37.75 121.84 -167.99 -115.90 131.85 0.15 99.85 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 65 T E E 52.08 9.31 19.82 30.26 119.69 -156.20 -107.17 130.92 0.30 99.70 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 66 R E E 76.17 11.39 14.92 27.43 132.39 177.12 -135.49 150.52 1.58 98.42 0.00 1.35 0.06 0.00 0.00 0.00 0.00 98.56 0.02 67 K E E 137.68 3.36 15.07 19.92 114.32 -120.36 -87.85 128.06 11.19 88.80 0.01 9.77 0.94 0.06 0.00 0.01 0.00 88.94 0.28 68 S C E 31.92 11.53 7.56 19.78 121.40 -169.02 -112.75 139.69 50.16 49.79 0.05 46.83 1.98 0.17 0.01 0.04 0.00 50.04 0.93 69 P C T 122.23 0.90 11.12 12.03 93.19 -120.31 -64.57 -25.81 98.56 0.51 0.93 0.88 15.47 82.23 0.02 0.96 0.00 0.33 0.10 70 F C T 175.01 0.75 10.79 11.00 100.83 39.18 -91.08 -28.48 99.18 0.11 0.71 0.74 15.48 82.96 0.02 0.71 0.00 0.06 0.03 71 T C T 80.91 4.11 9.72 15.25 107.04 24.30 -110.33 -13.65 97.88 1.31 0.82 3.14 17.82 76.89 0.03 0.91 0.00 0.99 0.22 72 G E E 39.67 2.25 14.21 17.15 120.78 -124.77 84.24 -163.03 37.63 62.22 0.15 26.91 8.17 1.99 0.02 0.16 0.00 61.98 0.76 73 E E E 116.03 4.73 13.17 19.52 119.11 -14.80 -95.81 138.93 11.33 88.64 0.03 9.25 1.41 0.17 0.00 0.02 0.00 88.90 0.24 74 S E E 35.35 11.31 13.30 26.06 129.97 -175.53 -130.72 151.12 2.52 97.48 0.00 2.04 0.21 0.02 0.00 0.00 0.00 97.69 0.04 75 V E E 54.26 11.02 17.11 29.35 120.18 -140.91 -110.81 131.83 0.96 99.04 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.11 0.01 76 T E E 29.46 14.28 17.89 33.02 124.84 -167.16 -116.60 142.72 1.48 98.52 0.00 1.26 0.06 0.00 0.00 0.00 0.00 98.66 0.01 77 Y E E 46.58 15.35 19.42 35.29 126.74 -160.07 -119.24 142.89 2.39 97.61 0.00 2.14 0.04 0.00 0.00 0.00 0.00 97.79 0.02 78 R E E 34.95 17.99 20.60 38.30 127.03 -165.77 -122.48 139.96 2.21 97.79 0.00 1.94 0.06 0.00 0.00 0.00 0.00 97.98 0.01 79 Y E E 43.35 14.35 23.91 38.68 118.98 -146.30 -106.28 131.74 0.77 99.23 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.28 0.01 80 V E E 12.70 21.09 18.09 39.46 118.31 -157.50 -106.81 129.46 0.90 99.10 0.00 0.82 0.02 0.00 0.00 0.00 0.00 99.14 0.03 81 I E E 46.75 11.21 19.57 31.92 123.41 -168.65 -115.47 138.45 3.88 96.12 0.00 3.60 0.13 0.00 0.00 0.00 0.00 96.03 0.23 82 T E E 81.16 7.95 16.07 24.95 113.01 -113.08 -75.28 135.46 32.31 67.66 0.03 30.02 0.75 0.20 0.01 0.02 0.00 68.59 0.42 83 G C C 43.19 5.66 16.86 23.48 118.21 23.54 92.46 -168.10 99.82 0.17 0.01 99.43 0.32 0.12 0.00 0.00 0.00 0.12 0.01